Viral protein-Drug molecule complex

Macromolecule
Gene
Interacting molecule/ protein
Interacting gene
PDB ID
Title
Structure Title
Experimental Method
Resolution (Å)
PubMed ID
Structure
Main Protease
rep, 1a-1b
Boceprevir
~
6ZRU
Crystal structure of SARS CoV2 main protease in complex with inhibitor Boceprevir
Crystal structure of SARS CoV2 main protease in complex with inhibitor Boceprevir
X-ray diffraction
2.1
To be published
3D view
Main Protease
rep, 1a-1b
Telaprevir
~
6ZRT
Crystal structure of SARS CoV2 main protease in complex with inhibitor Telaprevir
Crystal structure of SARS CoV2 main protease in complex with inhibitor Telaprevir
X-ray diffraction
2.1
To be published
3D view
Main Protease
rep, 1a-1b
RS102895
~
7ABU
Inhibition of SARS-CoV-2 main protease by allosteric drug-binding
Structure of SARS-CoV-2 Main Protease bound to RS102895
X-ray diffraction
1.6
Biorxiv
3D view
Replicase polyprotein 1ab
rep, 1a-1b
AZD6482
~
6YVF
Inhibition of SARS-CoV-2 main protease by allosteric drug-binding
Structure of SARS-CoV-2 Main Protease bound to AZD6482.
X-ray diffraction
1.6
Biorxiv
3D view
NSP3 macrodomain
rep, 1a-1b
MES [ 2-(N-MORPHOLINO)-ETHANESULFONIC ACID ]
~
6YWM
Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with MES
Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with MES
X-ray diffraction
2.16
To be published
3D view
Main Protease
rep, 1a-1b
2,4'-Dimethylpropiophenone
~
7ADW
Inhibition of SARS-CoV-2 main protease by allosteric drug-binding
Structure of SARS-CoV-2 Main Protease bound to 2,4'-Dimethylpropiophenone.
X-ray diffraction
1.63
Biorxiv
3D view
NSP3 macrodomain
rep, 1a-1b
HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid)
~
6YWK
Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with HEPES
Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with HEPES
X-ray diffraction
2.2
To be published
3D view
nsp16, nsp10
rep, 1a-1b
Sinefungin
~
6YZ1
Structural analysis of the SARS-CoV-2 methyltransferase complex involved in RNA cap creation bound to sinefungin.
The crystal structure of SARS-CoV-2 nsp10-nsp16 methyltransferase complex with Sinefungin
X-ray diffraction
2.4
32709887
3D view
Main Protease
rep, 1a-1b
Leupeptin
~
6YZ6
Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin
Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin
X-ray diffraction
1.7
To be published
3D view
Main Protease
rep, 1a-1b
AT7519
~
7AGA
Inhibition of SARS-CoV-2 main protease by allosteric drug-binding
Structure of SARS-CoV-2 Main Protease bound to AT7519
X-ray diffraction
1.68
Biorxiv
3D view
Main Protease
rep, 1a-1b
Maleate
~
7AHA
Inhibition of SARS-CoV-2 main protease by allosteric drug-binding
Structure of SARS-CoV-2 Main Protease bound to Maleate.
X-ray diffraction
1.68
Biorxiv
3D view
Main Protease
rep, 1a-1b
Tretazicar
~
7AK4
Inhibition of SARS-CoV-2 main protease by allosteric drug-binding
Structure of SARS-CoV-2 Main Protease bound to Tretazicar.
X-ray diffraction
1.63
Biorxiv
3D view
Replicase polyprotein 1ab
rep, 1a-1b
Calpeptin
~
7AKU
Inhibition of SARS-CoV-2 main protease by allosteric drug-binding
Structure of SARS-CoV-2 Main Protease bound to Calpeptin.
X-ray diffraction
2.5
Biorxiv
3D view
Main Protease
rep, 1a-1b
PD 168568
~
7AMJ
Inhibition of SARS-CoV-2 main protease by allosteric drug-binding
Structure of SARS-CoV-2 Main Protease bound to PD 168568.
X-ray diffraction
1.59
Biorxiv
3D view
Spike glycoprotein
S, 2
H11-H4
~
6ZBP
H11-D4 complex with SARS-CoV-2 RBD
H11-H4 complex with SARS-CoV-2
X-ray diffraction
1.85
To be published
3D view
Main Protease
rep, 1a-1b
Adrafinil
~
7ANS
Inhibition of SARS-CoV-2 main protease by allosteric drug-binding
Structure of SARS-CoV-2 Main Protease bound to Adrafinil.
X-ray diffraction
1.7
Biorxiv
3D view
Main Protease
rep, 1a-1b
MUT056399
~
7AP6
Inhibition of SARS-CoV-2 main protease by allosteric drug-binding
Structure of SARS-CoV-2 Main Protease bound to MUT056399.
X-ray diffraction
1.78
Biorxiv
3D view
ORF1ab polyprotein
ORF1ab
Climbazole
~
7AOL
Inhibition of SARS-CoV-2 main protease by allosteric drug-binding
Structure of SARS-CoV-2 Main Protease bound to Climbazole
X-ray diffraction
1.47
Biorxiv
3D view
Main Protease
rep, 1a-1b
Tofogliflozin
~
7APH
Inhibition of SARS-CoV-2 main protease by allosteric drug-binding
Structure of SARS-CoV-2 Main Protease bound to Tofogliflozin.
X-ray diffraction
1.65
Biorxiv
3D view
Main Protease
rep, 1a-1b
thioglucose
~
7ARF
Inhibition of SARS-CoV-2 main protease by allosteric drug-binding
Structure of SARS-CoV-2 Main Protease bound to thioglucose.
X-ray diffraction
2
Biorxiv
3D view
Main Protease
rep, 1a-1b
Triglycidyl isocyanurate
~
7AQJ
Inhibition of SARS-CoV-2 main protease by allosteric drug-binding
Structure of SARS-CoV-2 Main Protease bound to Triglycidyl isocyanurate.
X-ray diffraction
2.59
Biorxiv
3D view
Main Protease
rep, 1a-1b
Ifenprodil
~
7AQI
Inhibition of SARS-CoV-2 main protease by allosteric drug-binding
Structure of SARS-CoV-2 Main Protease bound to Ifenprodil
X-ray diffraction
1.7
Biorxiv
3D view
3C-like proteinase
rep, 1a-1b
7j
~
6XMK
3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
1.70 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 7j
X-ray diffraction
1.7
32747425
3D view
Replicase polyprotein 1ab
rep, 1a-1b
tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (alpha-ketoamide 13b)
~
6Y2G
Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Crystal structure (orthorhombic form) of the complex resulting from the reaction between SARS-CoV-2 (2019-nCoV) main protease and tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (alpha-ketoamide 13b)
X-ray diffraction
2.2
32198291
3D view
Replicase polyprotein 1ab
rep, 1a-1b
tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (alpha-ketoamide 13b)
~
6Y2F
Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Crystal structure (monoclinic form) of the complex resulting from the reaction between SARS-CoV-2 (2019-nCoV) main protease and tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (alpha-ketoamide 13b)
X-ray diffraction
1.95
32198291
3D view
3C-like proteinase
rep, 1a-1b
GRL-024-20
~
6XR3
X-ray Structure of SARS-CoV-2 main protease bound to GRL-024-20 at 1.45 A
X-ray Structure of SARS-CoV-2 main protease bound to GRL-024-20 at 1.45 A
X-ray diffraction
1.45
To be published
3D view
3C-like proteinase
rep, 1a-1b
Narlaprevir
~
6XQT
Malleability of the SARS-CoV-2 3CL M pro Active-Site Cavity Facilitates Binding of Clinical Antivirals.
Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Narlaprevir
X-ray diffraction
2.3
33152262
3D view
3C-like proteinase
rep, 1a-1b
Telaprevir
~
6XQS
Malleability of the SARS-CoV-2 3CL M pro Active-Site Cavity Facilitates Binding of Clinical Antivirals.
Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Telaprevir
X-ray diffraction
1.9
33152262
3D view
3C-like proteinase
rep, 1a-1b
Boceprevir
~
6XQU
Malleability of the SARS-CoV-2 3CL M pro Active-Site Cavity Facilitates Binding of Clinical Antivirals.
Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Boceprevir
X-ray diffraction
2.2
33152262
3D view
Replicase polyprotein 1ab
rep, 1a-1b
2-Methyl-1-tetralone
~
6YNQ
Inhibition of SARS-CoV-2 main protease by allosteric drug-binding
Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone.
X-ray diffraction
1.8
To be published
3D view
Main Protease (Mpro)
rep, 1a-1b
biotin-PEG(4)-Abu-Tle-Leu-Gln-vinylsulfone
~
6Z2E
Crystal structure of SARS-CoV-2 Mpro in complex with the activity-based probe, biotin-PEG(4)-Abu-Tle-Leu-Gln-vinylsulfone
Crystal structure of SARS-CoV-2 Mpro in complex with the activity-based probe, biotin-PEG(4)-Abu-Tle-Leu-Gln-vinylsulfone
X-ray diffraction
1.7
To be published
3D view
3C-like proteinase
rep, 1a-1b
N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
~
6XHM
Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19.
Covalent complex of SARS-CoV-2 main protease with N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
X-ray diffraction
1.406
33054210
3D view
2'-O-methyltransferase (nsp16), nsp10
rep, 1a-1b
SAM ( S-ADENOSYLMETHIONINE )
~
6XKM
Room Temperature Structure of SARS-CoV-2 NSP10/NSP16 Methyltransferase in a Complex with SAM Determined by Fixed-Target Serial Crystallography
Room Temperature Structure of SARS-CoV-2 NSP10/NSP16 Methyltransferase in a Complex with SAM Determined by Fixed-Target Serial Crystallography
X-ray diffraction
2.25
To be published
3D view
Replicase polyprotein 1ab
rep, 1a-1b
11b (inhibitor)
~
6M0K
Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
The crystal structure of COVID-19 main protease in complex with an inhibitor 11b
X-ray diffraction
1.504
32321856
3D view
3CL protease
rep, 1a-1b
Novel inhibitor : Shuanghuanglian preparation, a Chinese traditional patent medicine
~
6M2N
Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients.
SARS-CoV-2 3CL protease (3CL pro) in complex with a novel inhibitor
X-ray diffraction
2.198
32737471
3D view
Main protease
rep, 1a-1b
N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
~
6LU7
Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
The crystal structure of COVID-19 main protease in complex with an inhibitor N3
X-ray diffraction
2.16
32272481
3D view
Replicase polyprotein 1ab
rep, 1a-1b
11a
6LZE
Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
The crystal structure of COVID-19 main protease in complex with an inhibitor 11a
X-ray diffraction
1.505
32321856
3D view
3C-like proteinase
rep, 1a-1b
Z31792168
~
5R84
PanDDA analysis of COVID-19 main protease against the DSI-poised Fragment Library
PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z31792168
X-ray diffraction
1.83
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z44592329
~
5R83
PanDDA analysis of COVID-19 main protease against the DSI-poised Fragment Library
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z44592329
X-ray diffraction
1.58
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z45617795
~
5R7Y
PanDDA analysis of COVID-19 main protease against the DSI-poised Fragment Library
PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z45617795
X-ray diffraction
1.65
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z18197050
~
5R80
PanDDA analysis of COVID-19 main protease against the DSI-poised Fragment Library
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z18197050
X-ray diffraction
1.93
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z219104216
~
5R82
PanDDA analysis of COVID-19 main protease against the DSI-poised Fragment Library
PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z219104216
X-ray diffraction
1.31
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z1367324110
~
5R81
PanDDA analysis of COVID-19 main protease against the DSI-poised Fragment Library
PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z1367324110
X-ray diffraction
1.95
To be published
3D view
3C-like proteinase
rep, 1a-1b
~
~
5R8T
PanDDA analysis group deposition of ground-state model of SARS-CoV-2 main protease fragment screening
PanDDA analysis group deposition of ground-state model of SARS-CoV-2 main protease screened against DSI poised (Enamine), Fraglites and Peplites (Newcastle university), Mini Frags (Astex), York 3D (York university), electrophile cysteine covalent (Weizman institute) fragment libraries
X-ray diffraction
1.27
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z1220452176
~
5R7Z
PanDDA analysis of COVID-19 main protease against the DSI-poised Fragment Library
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1220452176
X-ray diffraction
1.59
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z31432226
~
5REA
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z31432226
X-ray diffraction
1.63
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z1587220559
~
5REC
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1587220559
X-ray diffraction
1.73
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z2856434899
~
5REB
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434899
X-ray diffraction
1.68
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z2217052426
~
5REE
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2217052426
X-ray diffraction
1.77
to be published
3D view
3C-like proteinase
rep, 1a-1b
Z2856434865
~
5RED
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434865
X-ray diffraction
1.47
to be published
3D view
3C-like proteinase
rep, 1a-1b
Z1545313172
~
5REG
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1545313172
X-ray diffraction
1.67
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z24758179
~
5REF
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z24758179
X-ray diffraction
1.61
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z2856434836
~
5RE9
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434836
X-ray diffraction
1.72
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z2737076969
~
5RE8
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2737076969
X-ray diffraction
1.81
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z33545544
~
5RE5
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z33545544
X-ray diffraction
2.07
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z1129283193
~
5RE4
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1129283193
X-ray diffraction
1.88
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z30932204
~
5RE7
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z30932204
X-ray diffraction
1.79
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z54571979
~
5RE6
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z54571979
X-ray diffraction
1.87
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z1271660837
~
5RFB
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1271660837
X-ray diffraction
1.48
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z2643472210
~
5RFA
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2643472210
X-ray diffraction
1.52
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z126932614
~
5RFD
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z126932614
X-ray diffraction
1.41
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z979145504
~
5RFC
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z979145504
X-ray diffraction
1.4
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102704
~
5RFF
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102704
X-ray diffraction
1.78
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z509756472
~
5RFE
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z509756472
X-ray diffraction
1.46
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102277
~
5RFH
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102277
X-ray diffraction
1.58
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102372
~
5RFG
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102372
X-ray diffraction
2.32
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102911
~
5REY
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102911
X-ray diffraction
1.96
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102287
~
5REX
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102287
X-ray diffraction
2.07
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z217038356
~
5RF9
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z217038356
X-ray diffraction
1.43
To be published
3D view
3C-like proteinase
rep, 1a-1b
POB0129
~
5REZ
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with POB0129
X-ray diffraction
1.79
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z1741969146
~
5RF2
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1741969146
X-ray diffraction
1.53
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102201
~
5REP
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102201
X-ray diffraction
1.81
To be published
3D view
3C-like proteinase
rep, 1a-1b
NCL-00023830
~
5RF1
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00023830
X-ray diffraction
1.73
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102281
~
5RES
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102281
X-ray diffraction
1.65
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z1741982125
~
5RF4
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1741982125
X-ray diffraction
1.61
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102615
~
5RER
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102615
X-ray diffraction
1.88
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z1741970824
~
5RF3
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1741970824
X-ray diffraction
1.5
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102395
~
5REU
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102395
X-ray diffraction
1.69
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z1348371854
~
5RF6
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1348371854
X-ray diffraction
1.45
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102269
~
5RET
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102269
X-ray diffraction
1.68
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z3241250482
~
5RF5
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z3241250482
X-ray diffraction
1.74
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102275
~
5REW
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102275
X-ray diffraction
1.55
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z271004858
~
5RF8
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z271004858
X-ray diffraction
1.44
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0103072
~
5REV
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0103072
X-ray diffraction
1.6
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z316425948_minor
~
5RF7
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z316425948_minor
X-ray diffraction
1.54
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z2856434856
~
5REI
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434856
X-ray diffraction
1.82
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z111507846
~
5REH
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z111507846
X-ray diffraction
1.8
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102327
~
5REK
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102327
X-ray diffraction
1.74
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102241
~
5REJ
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102241
X-ray diffraction
1.72
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0103016
~
5REM
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0103016
X-ray diffraction
1.96
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102340
~
5REL
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102340
X-ray diffraction
1.62
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102578
~
5REO
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102578
X-ray diffraction
1.88
To be published
3D view
3C-like proteinase
rep, 1a-1b
POB0073
~
5RF0
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with POB0073
X-ray diffraction
1.65
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102425
~
5REN
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102425
X-ray diffraction
2.15
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z2856434890
~
5RGG
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434890 (Mpro-x0165)
X-ray diffraction
2.26
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z369936976
~
5RGI
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z369936976 (Mpro-x0397)
X-ray diffraction
1.57
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z1619978933
~
5RGH
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1619978933 (Mpro-x0395)
X-ray diffraction
1.7
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102274
~
5RFZ
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102274
X-ray diffraction
1.68
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102974
~
5RFY
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102974
X-ray diffraction
1.9
to be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102169
~
5RFR
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102169
X-ray diffraction
1.71
to be published
3D view
3C-like proteinase
rep, 1a-1b
NCL-00025412
~
5RG3
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00025412
X-ray diffraction
1.58
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102179
~
5RFQ
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102179
X-ray diffraction
1.76
To be published
3D view
3C-like proteinase
rep, 1a-1b
NCL-00025058
~
5RG2
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00025058
X-ray diffraction
1.63
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102432
~
5RFT
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102432
X-ray diffraction
1.58
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102739
~
5RFS
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102739
X-ray diffraction
1.7
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102306
~
5RFV
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102306
X-ray diffraction
1.48
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102121
~
5RFU
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102121
X-ray diffraction
1.53
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102254
~
5RFX
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102254
X-ray diffraction
1.55
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102243
~
5RFW
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102243
X-ray diffraction
1.43
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0103067
~
5RFJ
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0103067
X-ray diffraction
1.8
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102353
~
5RFI
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102353
X-ray diffraction
1.69
to be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102389
~
5RFL
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102389
X-ray diffraction
1.64
to be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102575
~
5RFK
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102575
X-ray diffraction
1.75
to be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102868
~
5RFN
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102868
X-ray diffraction
1.8
to be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102539
~
5RFM
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102539
X-ray diffraction
2.06
to be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102190
~
5RFP
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102190
X-ray diffraction
2.03
to be published
3D view
3C-like proteinase
rep, 1a-1b
NCL-00024905
~
5RG1
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00024905
X-ray diffraction
1.65
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102972
~
5RFO
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102972
X-ray diffraction
1.83
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102535
~
5RG0
PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102535
X-ray diffraction
1.72
To be published
3D view
3C-like proteinase
rep, 1a-1b
SF013 (Mpro-x2193)
~
5RHD
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with SF013 (Mpro-x2193)
X-ray diffraction
1.57
To be published
3D view
3C-like proteinase
rep, 1a-1b
Cov_HetLib053 (Mpro-x2119)
~
5RHC
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Cov_HetLib053 (Mpro-x2119)
X-ray diffraction
1.58
To be published
3D view
3C-like proteinase
rep, 1a-1b
PG-COV-34 (Mpro-x2754)
~
5RHF
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PG-COV-34 (Mpro-x2754)
X-ray diffraction
1.76
To be published
3D view
3C-like proteinase
rep, 1a-1b
PG-COV-42 (Mpro-x2052)
~
5RHE
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PG-COV-42 (Mpro-x2052)
X-ray diffraction
1.56
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z1343543528 (Mpro-x2600)
~
5RGZ
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1343543528 (Mpro-x2600)
X-ray diffraction
1.52
To be published
3D view
3C-like proteinase
rep, 1a-1b
Cov_HetLib030 (Mpro-x2097)
~
5RHB
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Cov_HetLib030 (Mpro-x2097)
X-ray diffraction
1.43
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z147647874 (Mpro-x2779)
~
5RHA
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z147647874 (Mpro-x2779)
X-ray diffraction
1.51
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z1259086950 (Mpro-x1163)
~
5RGS
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1259086950 (Mpro-x1163)
X-ray diffraction
1.72
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z1530425063 (Mpro-x2659)
~
5RH4
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1530425063 (Mpro-x2659)
X-ray diffraction
1.34
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z328695024 (Mpro-x1101)
~
5RGR
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z328695024 (Mpro-x1101)
X-ray diffraction
1.41
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z1264525706 (Mpro-x2649)
~
5RH3
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1264525706 (Mpro-x2649)
X-ray diffraction
1.69
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z4444622180 (Mpro-x2562)
~
5RGU
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4444622180 (Mpro-x2562)
X-ray diffraction
2.108
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z4439011588 (Mpro-x2703)
~
5RH6
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4439011588 (Mpro-x2703)
X-ray diffraction
1.6
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z4439011607 (Mpro-x2540)
~
5RGT
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4439011607 (Mpro-x2540)
X-ray diffraction
2.22
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z4439011520 (Mpro-x2694)
~
5RH5
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4439011520 (Mpro-x2694)
X-ray diffraction
1.72
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z4444621910 (Mpro-x2569)
~
5RGW
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4444621910 (Mpro-x2569)
X-ray diffraction
1.43
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z4444621965 (Mpro-x2764)
~
5RH8
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4444621965 (Mpro-x2764)
X-ray diffraction
1.81
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z4444622066 (Mpro-x2563)
~
5RGV
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4444622066 (Mpro-x2563)
X-ray diffraction
1.82
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z4439011584 (Mpro-x2705)
~
5RH7
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4439011584 (Mpro-x2705)
X-ray diffraction
1.71
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z1535580916 (Mpro-x2581)
~
5RGY
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1535580916 (Mpro-x2581)
X-ray diffraction
1.976
To be published
3D view
3C-like proteinase
rep, 1a-1b
344037997 (Mpro-x2572)
~
5RGX
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1344037997 (Mpro-x2572)
X-ray diffraction
1.69
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z4438424255 (Mpro-x2776)
~
5RH9
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4438424255 (Mpro-x2776)
X-ray diffraction
1.91
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z1310876699 (Mpro-x0426)
~
5RGK
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1310876699 (Mpro-x0426)
X-ray diffraction
1.43
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z1401276297 (Mpro-x0425)
~
5RGJ
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1401276297 (Mpro-x0425)
X-ray diffraction
1.34
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102142 (Mpro-x0708)
~
5RGM
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102142 (Mpro-x0708)
X-ray diffraction
2.04
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102962 (Mpro-x0705)
~
5RGL
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102962 (Mpro-x0705)
X-ray diffraction
1.76
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102248 (Mpro-x0736)
~
5RGO
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102248 (Mpro-x0736)
X-ray diffraction
1.74
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z1286870272 (Mpro-x2608)
~
5RH0
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1286870272 (Mpro-x2608)
X-ray diffraction
1.916
To be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102759 (Mpro-x0731)
~
5RGN
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102759 (Mpro-x0731)
X-ray diffraction
1.86
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z1849009686 (Mpro-x1086)
~
5RGQ
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1849009686 (Mpro-x1086)
X-ray diffraction
2.15
to be published
3D view
3C-like proteinase
rep, 1a-1b
Z1129289650 (Mpro-x2646)
~
5RH2
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1129289650 (Mpro-x2646)
X-ray diffraction
1.827
to be published
3D view
3C-like proteinase
rep, 1a-1b
PCM-0102628 (Mpro-x0771)
~
5RGP
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102628 (Mpro-x0771)
X-ray diffraction
2.07
To be published
3D view
3C-like proteinase
rep, 1a-1b
Z2010253653 (Mpro-x2643)
~
5RH1
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2010253653 (Mpro-x2643)
X-ray diffraction
1.96
To be published
3D view
Helicase
rep, 1a-1b
Z2856434778
~
5RLH
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z2856434778
X-ray diffraction
2.379
To be published
3D view
Helicase
rep, 1a-1b
Z19739650
~
5RLG
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z19739650
X-ray diffraction
1.96
To be published
3D view
Helicase
rep, 1a-1b
Z1407673036
~
5RLJ
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1407673036
X-ray diffraction
1.879
To be published
3D view
Helicase
rep, 1a-1b
Z45617795
~
5RLI
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z45617795
X-ray diffraction
2.26
To be published
3D view
Helicase
rep, 1a-1b
Z425387594
~
5RLL
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z425387594
X-ray diffraction
2.08
To be published
3D view
Helicase
rep, 1a-1b
Z1509882419
~
5RLK
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1509882419
X-ray diffraction
1.956
To be published
3D view
Helicase
rep, 1a-1b
Z364328788
~
5RLN
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z364328788
X-ray diffraction
2.147
To be published
3D view
Helicase
rep, 1a-1b
Z1650168321
~
5RLM
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1650168321
X-ray diffraction
1.858
To be published
3D view
Helicase
rep, 1a-1b
Z216450634
~
5RLB
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z216450634
X-ray diffraction
1.98
to be published
3D view
Helicase
rep, 1a-1b
Z19735981
~
5RLD
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z19735981
X-ray diffraction
2.233
to be published
3D view
Helicase
rep, 1a-1b
Z56923284
~
5RLC
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z56923284
X-ray diffraction
1.92
to be published
3D view
Helicase
rep, 1a-1b
Z56923284
~
5RLF
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex withZ56923284
X-ray diffraction
2.235
to be published
3D view
Helicase
rep, 1a-1b
Z1429867185
~
5RLE
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1429867185
X-ray diffraction
2.268
to be published
3D view
Helicase
rep, 1a-1b
Z53825177
~
5RL8
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z53825177
X-ray diffraction
2.21
to be published
3D view
Helicase
rep, 1a-1b
Z364321922
~
5RL7
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z364321922
X-ray diffraction
1.89
To be published
3D view
Helicase
rep, 1a-1b
Z1703168683
~
5RL9
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1703168683
X-ray diffraction
1.788
To be published
3D view
3C-like proteinase
rep, 1a-1b
LON-WEI-adc59df6-2 (Mpro-x3110)
~
5RL0
PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors
PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-2 (Mpro-x3110)
X-ray diffraction
1.69
To be published
3D view
3C-like proteinase
rep, 1a-1b
LON-WEI-adc59df6-26 (Mpro-x3115)
~
5RL2
PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors
PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-26 (Mpro-x3115)
X-ray diffraction
1.48
To be published
3D view
3C-like proteinase
rep, 1a-1b
LON-WEI-adc59df6-27 (Mpro-x3113)
~
5RL1
PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors
PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-27 (Mpro-x3113)
X-ray diffraction
1.65
To be published
3D view
3C-like proteinase
rep, 1a-1b
LON-WEI-adc59df6-3 (Mpro-x3124)
~
5RL4
PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors
PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-3 (Mpro-x3124)
X-ray diffraction
1.53
To be published
3D view
3C-like proteinase
rep, 1a-1b
LON-WEI-adc59df6-39 (Mpro-x3117)
~
5RL3
PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors
PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-39 (Mpro-x3117)
X-ray diffraction
1.51
To be published
3D view
Helicase
rep, 1a-1b
Z198195770
~
5RL6
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z198195770
X-ray diffraction
1.921
To be published
3D view
3C-like proteinase
rep, 1a-1b
LON-WEI-adc59df6-30 (Mpro-x3359)
~
5RL5
PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors
PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-30 (Mpro-x3359)
X-ray diffraction
1.58
To be published
3D view
Helicase
rep, 1a-1b
Z53860899
~
5RMI
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z53860899
X-ray diffraction
2.116
To be published
3D view
Helicase
rep, 1a-1b
Z1101755952
~
5RMH
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1101755952
X-ray diffraction
2.021
To be published
3D view
Helicase
rep, 1a-1b
Z1273312153
~
5RMK
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1273312153
X-ray diffraction
2.08
To be published
3D view
Helicase
rep, 1a-1b
Z68299550
~
5RMJ
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z68299550
X-ray diffraction
2.1
To be published
3D view
Helicase
rep, 1a-1b
POB0066
~
5RMM
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with POB0066
X-ray diffraction
2.197
To be published
3D view
Helicase
rep, 1a-1b
Z85956652
~
5RML
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z85956652
X-ray diffraction
2.43
To be published
3D view
Helicase
rep, 1a-1b
Z321318226
~
5RMA
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z321318226
X-ray diffraction
1.89
To be published
3D view
Helicase
rep, 1a-1b
Z24758179
~
5RMC
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z24758179
X-ray diffraction
2.15
To be published
3D view
Helicase
rep, 1a-1b
Z2856434920
~
5RMB
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z2856434920
X-ray diffraction
2.206
To be published
3D view
Helicase
rep, 1a-1b
Z2856434920
~
5RME
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z26333434
X-ray diffraction
2.23
To be published
3D view
Helicase
rep, 1a-1b
Z57614330
~
5RMD
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z57614330
X-ray diffraction
1.92
To be published
3D view
Helicase
rep, 1a-1b
Z285675722
~
5RMG
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z285675722
X-ray diffraction
2.115
To be published
3D view
Helicase
rep, 1a-1b
Z54226006
~
5RMF
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z54226006
X-ray diffraction
2.23
To be published
3D view
Helicase
rep, 1a-1b
Z2856434942
~
5RM9
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z2856434942
X-ray diffraction
2.076
To be published
3D view
Helicase
rep, 1a-1b
Z45705015
~
5RLW
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z45705015
X-ray diffraction
1.97
To be published
3D view
Helicase
rep, 1a-1b
Z1614545742
~
5RM8
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1614545742
X-ray diffraction
2.143
To be published
3D view
Helicase
rep, 1a-1b
Z2293643386
~
5RLZ
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z2293643386
X-ray diffraction
1.97
To be published
3D view
Helicase
rep, 1a-1b
Z2027049478
~
5RLY
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z2027049478
X-ray diffraction
2.434
To be published
3D view
Helicase
rep, 1a-1b
Z166605480
~
5RLP
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z166605480
X-ray diffraction
2.562
To be published
3D view
Helicase
rep, 1a-1b
Z426041412
~
5RM1
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z426041412
X-ray diffraction
1.896
To be published
3D view
Helicase
rep, 1a-1b
Z1454310449
~
5RLO
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1454310449
X-ray diffraction
2.097
To be published
3D view
Helicase
rep, 1a-1b
Z1492796719
~
5RM0
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1492796719
X-ray diffraction
1.909
To be published
3D view
Helicase
rep, 1a-1b
Z822382694
~
5RLR
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z822382694
X-ray diffraction
2.32
To be published
3D view
Helicase
rep, 1a-1b
Z1745658474
~
5RM3
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1745658474
X-ray diffraction
2.09
To be published
3D view
Helicase
rep, 1a-1b
Z285782452
~
5RLQ
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z285782452
X-ray diffraction
2.225
To be published
3D view
Helicase
rep, 1a-1b
Z1741964527
~
5RM2
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1741964527
X-ray diffraction
1.82
To be published
3D view
Helicase
rep, 1a-1b
Z53116498
~
5RLT
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z53116498
X-ray diffraction
2.43
To be published
3D view
Helicase
rep, 1a-1b
Z373768900
~
5RM5
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z373768900
X-ray diffraction
2.06
To be published
3D view
Helicase
rep, 1a-1b
Z59181945
~
5RLS
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z59181945
X-ray diffraction
2.278
To be published
3D view
Helicase
rep, 1a-1b
Z1639162606
~
5RM4
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1639162606
X-ray diffraction
2.96
To be published
3D view
Helicase
rep, 1a-1b
Z2467208649
~
5RLV
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z2467208649
X-ray diffraction
2.21
To be published
3D view
Helicase
rep, 1a-1b
Z69118333
~
5RM7
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z69118333
X-ray diffraction
1.84
To be published
3D view
Helicase
rep, 1a-1b
Z744754722
~
5RLU
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z744754722
X-ray diffraction
2.347
To be published
3D view
Helicase
rep, 1a-1b
Z396380540
~
5RM6
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z396380540
X-ray diffraction
2.128
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000000226
~
5RSO
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000000226
X-ray diffraction
1.03
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000002582714
~
5RT0
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002582714
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000064576
~
5RSN
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000064576
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000158490
~
5RSQ
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000158490
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000008652361
~
5RT2
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008652361
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000002560357
~
5RSP
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002560357
X-ray diffraction
1.02
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000039810
~
5RT1
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039810
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000006691828
~
5RSS
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000006691828
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000051581
~
5RT4
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000051581
X-ray diffraction
1.02
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000158650
~
5RSR
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000158650
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000039281982
~
5RT3
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000039281982
X-ray diffraction
1.05
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000002055
~
5RSU
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000002055
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000156509
~
5RT6
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000156509
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000332673
~
5RST
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332673
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000058111
~
5RT5
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000058111
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000263392672
~
5RSG
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000263392672
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000026180281
~
5RSF
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000026180281
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000374420934
~
5RSI
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000374420934
X-ray diffraction
1.01
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000274438208
~
5RSH
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000274438208
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000901381520_N3
~
5RSK
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000901381520_N3
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000089254160_N3
~
5RSJ
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000089254160_N3
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000001099
~
5RSM
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000001099
X-ray diffraction
1.02
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000365052868
~
5RSL
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000365052868
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000003888754
~
5RSC
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000003888754
X-ray diffraction
1.01
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000001674697
~
5RSB
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001674697
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000336438345
~
5RSE
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000336438345
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000331945
~
5RSD
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000331945
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000034618676
~
5RS7
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000034618676
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000007636250
~
5RS9
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000007636250
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000001601
~
5RS8
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000001601
X-ray diffraction
1.01
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000001679336
~
5RTP
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001679336
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000034687
~
5RU1
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000034687
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000388302
~
5RTO
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388302
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000388514
~
5RU0
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388514
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000018169763
~
5RTR
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000018169763
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000161696
~
5RU3
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161696
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000019015078
~
5RTQ
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000019015078
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000331715
~
5RU2
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000331715
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000873830
~
5RTT
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000873830
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000098208711
~
5RU5
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000098208711
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000159004
~
5RTS
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000159004
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000001688638
~
5RU4
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001688638
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000001698894
~
5RTV
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001698894
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000003591110
~
5RU7
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000003591110
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000159056
~
5RTU
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000159056
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000001442764
~
5RU6
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001442764
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000156863
~
5RTH
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000156863
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000395673
~
5RTG
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000395673
X-ray diffraction
1.01
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000332752
~
5RTJ
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332752
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000004219237
~
5RTI
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004219237
X-ray diffraction
1.01
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000388056
~
5RTL
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388056
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000164504
~
5RTK
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000164504
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000013514509
~
5RTN
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013514509
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000002005
~
5RTM
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000002005
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000006534965
~
5RTB
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000006534965
X-ray diffraction
1.04
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000332540
~
5RTA
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332540
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000157108
~
5RTD
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000157108
X-ray diffraction
1.04
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000006490906
~
5RTC
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000006490906
X-ray diffraction
1.06
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000002047514
~
5RTF
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002047514
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000013283576
~
5RTE
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013283576
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000337835
~
5RSW
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000337835
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000161908
~
5RT8
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161908
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000340465
~
5RSV
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000340465
X-ray diffraction
1.03
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000015442276
~
5RT7
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000015442276
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000004787230
~
5RSY
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004787230
X-ray diffraction
1.04
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000388262
~
5RSX
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388262
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000388280
~
5RT9
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388280
X-ray diffraction
1.01
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000004218283
~
5RSZ
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004218283
X-ray diffraction
1.02
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000032199226
~
5RUQ
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000032199226
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000311783
~
5RV2
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000311783
X-ray diffraction
1.01
To be published
3D view
Uridylate-specific endoribonuclease
rep, 1a-1b
BBL029427
~
5S72
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with BBL029427
X-ray diffraction
2.512
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000004976927
~
5RUP
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004976927
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000251609
~
5RV1
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000251609
X-ray diffraction
1
To be published
3D view
Uridylate-specific endoribonuclease
rep, 1a-1b
FUZS-5
~
5S71
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with FUZS-5
X-ray diffraction
1.941
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000388081
~
5RUS
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388081
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000039224
~
5RV4
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039224
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000017744334
~
5RUR
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000017744334
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000057162
~
5RV3
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000057162
X-ray diffraction
1.02
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000438614
~
5RUU
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000438614
X-ray diffraction
1.01
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000158540
~
5RV6
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000158540
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000161958
~
5RUT
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161958
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000008578948
~
5RV5
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008578948
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000045014941
~
5RUW
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000045014941
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000039575
~
5RV8
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039575
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000019015194
~
5RUV
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000019015194
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000003954002
~
5RV7
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000003954002
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000332651
~
5RUI
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332651
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000123600
~
5RUH
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000123600
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000161692
~
5RUK
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161692
X-ray diffraction
1.05
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000404314
~
5RUJ
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000404314
X-ray diffraction
1.01
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000008861082
~
5RUM
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008861082
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000163774
~
5RUL
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000163774
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000001683100
~
5RUO
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001683100
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000039994
~
5RV0
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039994
X-ray diffraction
1
To be published
3D view
Uridylate-specific endoribonuclease
rep, 1a-1b
EN300-181428
~
5S70
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with EN300-181428
X-ray diffraction
2.327
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000194295
~
5RUN
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000194295
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000033986325
~
5RUA
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000033986325
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000005878
~
5RUC
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000005878
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000000922
~
5RUE
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000000922
X-ray diffraction
1.02
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000008615114
~
5RUD
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008615114
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000038389
~
5RUG
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000038389
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000016989831
~
5RUF
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000016989831
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000090873
~
5RTX
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000090873
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000165882
~
5RU9
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000165882
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000164777
~
5RTW
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000164777
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000154817
~
5RU8
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000154817
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000404062
~
5RTZ
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000404062
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000157088
~
5RTY
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000157088
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000016052862
~
5RVR
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000016052862
X-ray diffraction
1.04
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000002508153
~
5RVQ
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002508153
X-ray diffraction
1.08
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000002582714
~
5RVT
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002582714
X-ray diffraction
1.26
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000159004
~
5RVS
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000159004
X-ray diffraction
1.52
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000020269197
~
5RVV
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000020269197
X-ray diffraction
1.42
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000002506130
~
5RVU
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002506130
X-ray diffraction
1.2
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000001612349
~
5RVJ
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001612349
X-ray diffraction
1.2
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000084843283
~
5RVI
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000084843283
X-ray diffraction
0.94
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000149580
~
5RVL
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000149580
X-ray diffraction
1.36
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000002977810
~
5RVK
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002977810
X-ray diffraction
1.46
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000332748
~
5RVN
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332748
X-ray diffraction
1.26
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000157088
~
5RVM
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000157088
X-ray diffraction
1.03
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000154817
~
5RVP
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000154817
X-ray diffraction
1.04
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000013514509
~
5RVO
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013514509
X-ray diffraction
1.52
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000014419577
~
5RVB
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000014419577
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000016343276
~
5RVA
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000016343276
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000263980802
~
5RVD
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000263980802
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000933940912
~
5RVC
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000933940912
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000082473428_N3
~
5RVF
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000082473428_N3
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000736709772
~
5RVE
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000736709772
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000265642
~
5RVH
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000265642
X-ray diffraction
0.98
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000400552187_N3
~
5RVG
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000400552187_N3
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000013517187
~
5RUY
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013517187
X-ray diffraction
1
To be published
3D view
Uridylate-specific endoribonuclease
rep, 1a-1b
Z56900771
~
5S6Y
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z56900771
X-ray diffraction
2.32
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000002020050
~
5RUX
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002020050
X-ray diffraction
1
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000000388150
~
5RV9
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388150
X-ray diffraction
1
To be published
3D view
Uridylate-specific endoribonuclease
rep, 1a-1b
Z2889976755
~
5S6X
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z2889976755
X-ray diffraction
2.32
To be published
3D view
Non-structural protein 3
rep, 1a-1b
ZINC000019685960
~
5RUZ
Fragment screen against SARS-CoV-2 NSP macrodomain
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000019685960
X-ray diffraction
1
To be published
3D view
Uridylate-specific endoribonuclease
rep, 1a-1b
PB2255187532
~
5S6Z
PanDDA analysis group deposition
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with PB2255187532
X-ray diffraction
2.28
To be published
3D view
Nsp10, 2'-O-methyltransferase
rep, 1a-1b
m7GpppA Cap-0 and SAM
~
7JPE
Room Temperature Structure of SARS-CoV-2 Nsp10/Nsp16 Methyltransferase in a Complex with m7GpppA Cap-0 and SAM Determined by Fixed-Target Serial Crystallography
Room Temperature Structure of SARS-CoV-2 Nsp10/Nsp16 Methyltransferase in a Complex with m7GpppA Cap-0 and SAM Determined by Fixed-Target Serial Crystallography
X-ray diffraction
2.18
To be published
3D view
3C-like proteinase
rep, 1a-1b
Boceprevir
~
7K40
Hepatitis C Virus NSP3/NSP4A Inhibitors as Promising Lead Compounds for the Design of New Covalent Inhibitors for SARS-CoV-2 3CLpro/Mpro Protease
Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Boceprevir at 1.35 A Resolution
X-ray diffraction
1.35
To be published
3D view
Main protease
rep, 1a-1b
N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
~
7BQY
Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH AN INHIBITOR N3 at 1.7 angstrom
X-ray diffraction
1.7
32272481
3D view
Replicase polyprotein 1ab A,B
rep, 1a-1b
SAM
~
7C2J
Crystal structure of SARS-CoV-2 nsp10/nsp16 2'-O-methylase and its implication on antiviral drug design.
Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (without additional SAM during crystallization)
X-ray diffraction
2.799
32728018
3D view
3C-like proteinase
rep, 1a-1b
Boceprevir
~
7BRP
Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Crystal structure of the 2019-nCoV main protease complexed with Boceprevir
X-ray diffraction
1.8
32887884
3D view
3C-like proteinase
rep, 1a-1b
GC376
~
7C6U
Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Crystal structure of SARS-CoV-2 complexed with GC376
X-ray diffraction
2
32887884
3D view
3C-like proteinase
rep, 1a-1b
Boceprevir
~
7C6S
Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Crystal structure of the SARS-CoV-2 main protease complexed with Boceprevir
X-ray diffraction
1.6
32887884
3D view
SARS-CoV-2 virus Main protease
rep, 1a-1b
Carmofur
~
7BUY
Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofur.
The crystal structure of COVID-19 main protease in complex with carmofur
X-ray diffraction
1.6
32382072
3D view
Nsp 12 Nsp 8 Nsp 7
rep, 1a-1b
template-primer RNA and triphosphate form of Remdesivir(RTP)
~
7BV2
Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir.
The nsp12-nsp7-nsp8 complex bound to the template-primer RNA and triphosphate form of Remdesivir(RTP)
Electron Microscopy
2.5
32358203
3D view
3C-like proteinase
rep, 1a-1b
Z-VAD(OMe)-FMK
~
7C8B
Crystal structure of the SARS-CoV-2 main protease in complex with Z-VAD(OMe)-FMK
Crystal structure of the SARS-CoV-2 main protease in complex with Z-VAD(OMe)-FMK
X-ray diffraction
2.2
To be published
3D view
Main protease
rep, 1a-1b
Telaprevir
~
7C7P
Crystal structure of the SARS-CoV-2 main protease in complex with Telaprevir
Crystal structure of the SARS-CoV-2 main protease in complex with Telaprevir
X-ray diffraction
1.74
To be published
3D view
3C-like proteinase
rep, 1a-1b
TG-0205221
~
7C8T
Complex Structures and Cellular Activities of the Potent SARS-CoV-2 3CLpro Inhibitors Guiding Drug Discovery Against COVID-19
Complex Structure of SARS-CoV-2 3CL Protease with TG-0205221
X-ray diffraction
2.05
To be published
3D view
Replicase polyprotein 1ab
rep, 1a-1b
GC376
~
7C8U
The crystal structure of COVID-19 main protease in complex with GC376
The crystal structure of COVID-19 main protease in complex with GC376
X-ray diffraction
2.35
To be published
3D view
3C-like proteinase
rep, 1a-1b
TG-0203770
~
7C8R
Complex Structures and Cellular Activities of the Potent SARS-CoV-2 3CLpro Inhibitors Guiding Drug Discovery Against COVID-19
Complex Structure of SARS-CoV-2 3CL Protease with TG-0203770
X-ray diffraction
2.3
To be published
3D view
Replicase polyprotein 1ab
rep, 1a-1b
GC376
~
7CBT
The crystal structure of SARS-CoV-2 main protease in complex with GC376
The crystal structure of SARS-CoV-2 main protease in complex with GC376
X-ray diffraction
2.346
To be published
3D view
Replicase polyprotein 1ab
rep, 1a-1b
GRL0617
~
7CMD
Crystal structure of SARS-CoV-2 papain-like protease.
Crystal structure of the SARS-CoV-2 PLpro with GRL0617
X-ray diffraction
2.59
32895623
3D view
Main protease
rep, 1a-1b
Boceprevir
~
7COM
Crystal structure of the SARS-CoV-2 main protease in complex with Boceprevir (space group P212121)
Crystal structure of the SARS-CoV-2 main protease in complex with Boceprevir (space group P212121)
X-ray diffraction
2.25
To be published
3D view
3C-like proteinase
rep, 1a-1b
Narlaprevir
~
7D1O
Crystal structure of SARS-Cov-2 main protease with narlaprevir
Crystal structure of SARS-Cov-2 main protease with narlaprevir
X-ray diffraction
1.78
To be published
3D view
3C-like proteinase
rep, 1a-1b
GC376
~
7D1M
Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Crystal structure of the SARS-CoV-2 main protease complexed with GC376
X-ray diffraction
1.35
32887884
3D view
Nsp8, Nsp7, Nsp12
rep, 1a-1b
Suramin
~
7D4F
Structural basis for repurposing a 100-years-old drug suramin for treating COVID-19
Structure of COVID-19 RNA-dependent RNA polymerase bound to suramin
Electron Microscopy
2.57
To be published
3D view
3C-like proteinase
rep, 1a-1b
MI-23
~
7D3I
Crystal structure of SARS-CoV-2 main protease in complex with MI-23
Crystal structure of SARS-CoV-2 main protease in complex with MI-23
X-ray diffraction
2.004
To be published
3D view
papain-like protease
~
S43
~
7D7T
Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant
Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant bound to compound S43
X-ray diffraction
3.15
To be published
3D view
3C protein
rep, 1a-1b
INZ-1
~
7CX9
Crystal structure of the SARS-CoV-2 main protease in complex with INZ-1
Crystal structure of the SARS-CoV-2 main protease in complex with INZ-1
X-ray diffraction
1.73
To be published
3D view
Main Protease
rep, 1a-1b
SEN1269 ligand
~
7AVD
Inhibition of SARS-CoV-2 main protease by allosteric drug-binding
Structure of SARS-CoV-2 Main Protease bound to SEN1269 ligand
X-ray diffraction
1.8
To be published
3D view
Papain-like protease
rep, 1a-1b
PLP_Snyder495
~
7JIT
The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder495
The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder495
X-ray diffraction
1.95
To be published
3D view
Main Protease
rep, 1a-1b
Pelitinib
~
7AXM
Inhibition of SARS-CoV-2 main protease by allosteric drug-binding
Structure of SARS-CoV-2 Main Protease bound to Pelitinib
X-ray diffraction
1.4
To be published
3D view
Papain-like protease
rep, 1a-1b
PLP_Snyder457
~
7JIR
The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder457
The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder457
X-ray diffraction
2.09
To be published
3D view
Replicase polyprotein 1ab
rep, 1a-1b
LSN2463359
~
7AWU
Inhibition of SARS-CoV-2 main protease by allosteric drug-binding
Structure of SARS-CoV-2 Main Protease bound to LSN2463359.
X-ray diffraction
2.07
To be published
3D view
Main Protease
rep, 1a-1b
Glutathione isopropyl ester
~
7AX6
Inhibition of SARS-CoV-2 main protease by allosteric drug-binding
Structure of SARS-CoV-2 Main Protease bound to Glutathione isopropyl ester
X-ray diffraction
1.95
To be published
3D view
Main Protease
rep, 1a-1b
Clonidine
~
7AWW
Inhibition of SARS-CoV-2 main protease by allosteric drug-binding
Structure of SARS-CoV-2 Main Protease bound to Clonidine
X-ray diffraction
1.65
To be published
3D view
Main Protease
rep, 1a-1b
Tegafur
~
7AWR
Inhibition of SARS-CoV-2 main protease by allosteric drug-binding
Structure of SARS-CoV-2 Main Protease bound to Tegafur
X-ray diffraction
1.34
To be published
3D view
Main Protease
rep, 1a-1b
TH-302
~
7AWS
Inhibition of SARS-CoV-2 main protease by allosteric drug-binding
Structure of SARS-CoV-2 Main Protease bound to TH-302.
X-ray diffraction
1.81
To be published
3D view
Main Protease
rep, 1a-1b
Isofloxythepin
~
7AY7
Inhibition of SARS-CoV-2 main protease by allosteric drug-binding
Structure of SARS-CoV-2 Main Protease bound to Isofloxythepin
X-ray diffraction
1.55
To be published
3D view
Main Protease
rep, 1a-1b
AR-42
~
7AXO
Inhibition of SARS-CoV-2 main protease by allosteric drug-binding
Structure of SARS-CoV-2 Main Protease bound to AR-42.
X-ray diffraction
1.65
To be published
3D view
Papain-like protease
rep, 1a-1b
PLP_Snyder530
~
7JIV
The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder530
The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder530
X-ray diffraction
2.05
To be published
3D view
Papain-Like Protease
rep, 1a-1b
PLP_Snyder530
~
7JIW
The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder530
The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder530
X-ray diffraction
2.3
To be published
3D view
3C-like proteinase
rep, 1a-1b
GRL-2420
~
7JKV
A SARS-CoV-2's Main Protease-targeting Small-Compound GRL-2420 Completely Blocks the Infectivity and Cytopathicity of SARS-CoV-2
Crystal Structure of SARS-CoV-2 main protease in complex with an inhibitor GRL-2420
X-ray diffraction
1.25
To be published
3D view
Papain-Like Protease
rep, 1a-1b
PLP_Snyder441
~
7JN2
The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder441
The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder441
X-ray diffraction
1.93
To be published
3D view
Papain-like proteinase
rep, 1a-1b
GRL0617
~
7JRN
Crystal structure of the native SARS-CoV-2 papain-like protease (PLPro) with inhibitor GRL0617
Crystal structure of the wild type SARS-CoV-2 papain-like protease (PLPro) with inhibitor GRL0617
X-ray diffraction
2.48
To be published
3D view
3C-like proteinase
rep, 1a-1b
masitinib
~
7JU7
The crystal structure of SARS-CoV-2 Main Protease in complex with masitinib.
The crystal structure of SARS-CoV-2 Main Protease in complex with masitinib
X-ray diffraction
1.6
To be published
3D view
3C-like proteinase
rep, 1a-1b
Telaprevir
~
7K6D
SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.48 A Resolution (Cryo-protected)
SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.48 A Resolution (Cryo-protected)
X-ray diffraction
1.48
To be published
3D view
3C-like proteinase
rep, 1a-1b
Telaprevir
~
7K6E
SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.63 A Resolution (Direct Vitrification)
SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.63 A Resolution (Direct Vitrification)
X-ray diffraction
1.63
To be published
3D view
3C-like proteinase
rep, 1a-1b
Narlaprevir
~
7JYC
Hepatitis C Virus NSP3/NSP4A Inhibitors as Promising Lead Compounds for the Design of New Covalent Inhibitors for SARS-CoV-2 3CLpro/Mpro Protease
Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Narlaprevir
X-ray diffraction
1.79
To be published
3D view
Spike glycoprotein
S,2
LCB1
~
7JZU
De novo design of picomolar SARS-CoV-2 miniprotein inhibitors.
SARS-CoV-2 spike in complex with LCB1 (local refinement of the RBD and LCB1)
Electron Microscopy
3.1
32907861
3D view
Spike glycoprotein
S,2
LCB3
~
7JZM
De novo design of picomolar SARS-CoV-2 miniprotein inhibitors.
SARS-CoV-2 spike in complex with LCB3 (local refinement of the RBD and LCB3)
Electron Microscopy
3.5
32907861
3D view
Spike glycoprotein
S,2
LCB3
~
7JZN
De novo design of picomolar SARS-CoV-2 miniprotein inhibitors.
SARS-CoV-2 spike in complex with LCB3 (2RBDs open)
Electron Microscopy
3.1
32907861
3D view
Spike glycoprotein
S,2
LCB1
~
7JZL
De novo design of picomolar SARS-CoV-2 miniprotein inhibitors.
SARS-CoV-2 spike in complex with LCB1 (2RBDs open)
Electron Microscopy
2.7
32907861
3D view
Spike glycoprotein
S,2
CTC-445.2 inhibitor
~
7KL9
De novo design of potent and resilient hACE2 decoys to neutralize SARS-CoV-2.
Structure of the SARS-CoV-2 S 6P trimer in complex with the ACE2 protein decoy, CTC-445.2 (State 4)
Electron Microscopy
4.1
33154107
3D view
Papain-like protease
~
PLP_Snyder496
~
7KOK
The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder496
The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder496
X-ray diffraction
2
To be published
3D view
Papain-Like Protease
~
PLP_Snyder496
~
7KOL
The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder496
The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder496
X-ray diffraction
2.58
To be published
3D view
Papain-like protease
~
PLP_Snyder496
~
7KOJ
The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder494
The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder494
X-ray diffraction
2.02
To be published
3D view
Papain-like protease
~
PLP_Snyder441
~
7KRX
The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder441
The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder441
X-ray diffraction
2.72
To be published
3D view
3C-like proteinase
rep, 1a-1b
noncovalent inhibitor : Jun8-76-3A
~
7KX5
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with noncovalent inhibitor Jun8-76-3A
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with noncovalent inhibitor Jun8-76-3A
X-ray diffraction
2.6
To be published
3D view
3C-like proteinase
rep, 1a-1b
non-covalent inhibitor X77
~
6W63
A taxonomically-driven approach to development of potent, broad-spectrum inhibitors of coronavirus main protease including SARS-CoV-2 (COVID-19)
Structure of COVID-19 main protease bound to potent broad-spectrum non-covalent inhibitor X77
X-ray diffraction
2.1
To be published
3D view
Main protease
~
non-covalent inhibitor X77
~
6W79
A taxonomically-driven approach to development of potent, broad-spectrum inhibitors of coronavirus main protease including SARS-CoV-2 (COVID-19)
Structure of SARS-CoV main protease bound to potent broad-spectrum non-covalent inhibitor X77
X-ray diffraction
1.46
To be published
3D view
3C-like proteinase
rep, 1a-1b
Boceprevir
~
6WNP
X-ray Structure of SARS-CoV-2 main protease bound to Boceprevir at 1.45 A
X-ray Structure of SARS-CoV-2 main protease bound to Boceprevir at 1.45 A
X-ray diffraction
1.443
To be published
3D view
3C-like proteinase
rep, 1a-1b
GC-376
~
6WTT
Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease.
Crystals Structure of the SARS-CoV-2 (COVID-19) main protease with inhibitor GC-376
X-ray diffraction
2.15
32511378
3D view
papain-like protease
rep, 1a-1b
peptide inhibitor : VIR250
~
6WUU
Activity profiling and crystal structures of inhibitor-bound SARS-CoV-2 papain-like protease: A framework for anti-COVID-19 drug design.
Crystal structure of the SARS CoV-2 Papain-like protease in complex with peptide inhibitor VIR250
X-ray diffraction
2.79
33067239
3D view
Non-structural protein 3
rep, 1a-1b
peptide inhibitor : VIR250
~
6WX4
Activity profiling and crystal structures of inhibitor-bound SARS-CoV-2 papain-like protease: A framework for anti-COVID-19 drug design.
Crystal structure of the SARS CoV-2 Papain-like protease in complex with peptide inhibitor VIR251
X-ray diffraction
1.655
33067239
3D view
Uridylate-specific endoribonuclease
rep, 1a-1b
Tipiracil
~
6WXC
Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2
Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with potential repurposing drug Tipiracil
X-ray diffraction
1.85
To be published
3D view
Papain-like protease
rep, 1a-1b
ISG15 CTD-propargylamide
ISG15, G1P2, UCRP
6XA9
Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2.
SARS CoV-2 PLpro in complex with ISG15 C-terminal domain propargylamide
X-ray diffraction
2.9
32845033
3D view
Main Protease
rep, 1a-1b
Inhibitor UAW241
~
6XA4
Structure and inhibition of the SARS-CoV-2 main protease reveals strategy for developing dual inhibitors against M pro and cathepsin L.
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW241
X-ray diffraction
1.65
33158912
3D view
Main Protease
~
Fusidic Acid
~
7A1U
Inhibition of SARS-CoV-2 main protease by allosteric drug-binding
Structure of SARS-CoV-2 Main Protease bound to Fusidic Acid.
X-ray diffraction
1.67
Biorxiv
3D view