6Y84
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SARS-COV-2 MAIN PROTEASE WITH UNLIGANDED ACTIVE SITE (2019-NCOV, CORONAVIRUS DISEASE 2019, COVID-19)
Descriptor:Replicase polyprotein 1ab, DIMETHYL SULFOXIDE
Authors:Owen, C.D., Lukacik, P., Strain-Damerell, C.M., Douangamath, A., Powell, A.J., Fearon, D., Brandao-Neto, J., Crawshaw, A.D., Aragao, D., Williams, M., Flaig, R., Hall, D.R., McAuley, K.E., Mazzorana, M., Stuart, D.I., von Delft, F., Walsh, M.A.
Deposit date:2020-03-03
Release date:2020-03-11
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:COVID-19 main protease with unliganded active site
To Be Published
6YB7
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SARS-COV-2 MAIN PROTEASE WITH UNLIGANDED ACTIVE SITE (2019-NCOV, CORONAVIRUS DISEASE 2019, COVID-19).
Descriptor:Replicase polyprotein 1ab, DIMETHYL SULFOXIDE
Authors:Owen, C.D., Lukacik, P., Strain-Damerell, C.M., Douangamath, A., Powell, A.J., Fearon, D., Brandao-Neto, J., Crawshaw, A.D., Aragao, D., Williams, M., Flaig, R., Hall, D.R., McAuley, K.E., Mazzorana, M., Stuart, D.I., von Delft, F., Walsh, M.A.
Deposit date:2020-03-16
Release date:2020-03-25
Last modified:2020-10-21
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:COVID-19 main protease with unliganded active site
To Be Published
6W63
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STRUCTURE OF COVID-19 MAIN PROTEASE BOUND TO POTENT BROAD-SPECTRUM NON-COVALENT INHIBITOR X77
Descriptor:3C-like proteinase, N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide
Authors:Mesecar, A.D., Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-03-16
Release date:2020-03-25
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A taxonomically-driven approach to development of potent, broad-spectrum inhibitors of coronavirus main protease including SARS-CoV-2 (COVID-19)
To Be Published
7BZ5
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STRUCTURE OF COVID-19 VIRUS SPIKE RECEPTOR-BINDING DOMAIN COMPLEXED WITH A NEUTRALIZING ANTIBODY
Descriptor:Spike protein S1, Heavy chain of B38, Light chain of B38, ...
Authors:Wu, Y., Qi, J., Gao, F.
Deposit date:2020-04-26
Release date:2020-05-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:A noncompeting pair of human neutralizing antibodies block COVID-19 virus binding to its receptor ACE2.
Science, 368, 2020
5R7Y
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH Z45617795
Descriptor:3C-like proteinase, N-(2-phenylethyl)methanesulfonamide, DIMETHYL SULFOXIDE, ...
Authors:Fearon, D., Powell, A.J., Douangamath, A., Owen, C.D., Wild, C., Krojer, T., Lukacik, P., Strain-Damerell, C.M., Walsh, M.A., von Delft, F.
Deposit date:2020-03-03
Release date:2020-03-11
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:PanDDA analysis of COVID-19 main protease against the DSI-poised Fragment Library
To Be Published
5R81
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH Z1367324110
Descriptor:3C-like proteinase, 1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide, DIMETHYL SULFOXIDE
Authors:Fearon, D., Powell, A.J., Douangamath, A., Owen, C.D., Wild, C., Krojer, T., Lukacik, P., Strain-Damerell, C.M., Walsh, M.A., von Delft, F.
Deposit date:2020-03-03
Release date:2020-03-11
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:PanDDA analysis of COVID-19 main protease against the DSI-poised Fragment Library
To Be Published
5R82
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH Z219104216
Descriptor:3C-like proteinase, 6-(ethylamino)pyridine-3-carbonitrile, DIMETHYL SULFOXIDE
Authors:Fearon, D., Powell, A.J., Douangamath, A., Owen, C.D., Wild, C., Krojer, T., Lukacik, P., Strain-Damerell, C.M., Walsh, M.A., von Delft, F.
Deposit date:2020-03-03
Release date:2020-03-11
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:PanDDA analysis of COVID-19 main protease against the DSI-poised Fragment Library
To Be Published
5R84
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH Z31792168
Descriptor:3C-like proteinase, 2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide, DIMETHYL SULFOXIDE
Authors:Fearon, D., Powell, A.J., Douangamath, A., Owen, C.D., Wild, C., Krojer, T., Lukacik, P., Strain-Damerell, C.M., Walsh, M.A., von Delft, F.
Deposit date:2020-03-03
Release date:2020-03-11
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:PanDDA analysis of COVID-19 main protease against the DSI-poised Fragment Library
To Be Published
6M03
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THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN APO FORM
Descriptor:main protease
Authors:Zhang, B., Zhao, Y., Jin, Z., Liu, X., Yang, H., Rao, Z.
Deposit date:2020-02-19
Release date:2020-03-11
Last modified:2020-06-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of COVID-19 main protease in apo form
To be published
6W4B
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THE CRYSTAL STRUCTURE OF NSP9 RNA BINDING PROTEIN OF SARS COV-2
Descriptor:Non-structural protein 9
Authors:Tan, K., Kim, Y., Jedrzejczak, R., Maltseva, N., Endres, M., Michalska, K., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-03-10
Release date:2020-03-18
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:The crystal structure of Nsp9 replicase protein of COVID-19
To Be Published
6XA4
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CRYSTAL STRUCTURE OF THE SARS-COV-2 (COVID-19) MAIN PROTEASE IN COMPLEX WITH UAW241
Descriptor:main protease, inhibitor UAW241, GLYCEROL
Authors:Sacco, M., Ma, C., Wang, J., Chen, Y.
Deposit date:2020-06-03
Release date:2020-06-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW241
To Be Published
6XBG
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CRYSTAL STRUCTURE OF THE SARS-COV-2 (COVID-19) MAIN PROTEASE IN COMPLEX WITH INHIBITOR UAW246
Descriptor:main protease, inhibitor UAW246, GLYCEROL, ...
Authors:Sacco, M., Ma, C., Wang, J., Chen, Y.
Deposit date:2020-06-05
Release date:2020-06-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW246
To Be Published
6XBH
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CRYSTAL STRUCTURE OF THE SARS-COV-2 (COVID-19) MAIN PROTEASE IN COMPLEX WITH INHIBITOR UAW247
Descriptor:main protease, inhibitor UAW247, GLYCEROL, ...
Authors:Sacco, M., Ma, C., Wang, J., Chen, Y.
Deposit date:2020-06-06
Release date:2020-06-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW247
To Be Published
6XBI
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CRYSTAL STRUCTURE OF THE SARS-COV-2 (COVID-19) MAIN PROTEASE IN COMPLEX WITH INHIBITOR UAW248
Descriptor:main protease, inhibitor UAW248, GLYCEROL, ...
Authors:Sacco, M., Ma, C., Wang, J., Chen, Y.
Deposit date:2020-06-06
Release date:2020-06-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW248
To Be Published
6XFN
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CRYSTAL STRUCTURE OF THE SARS-COV-2 (COVID-19) MAIN PROTEASE IN COMPLEX WITH UAW243
Descriptor:main protease, UAW243, GLYCEROL
Authors:Sacco, M., Ma, C., Wang, J., Chen, Y.
Deposit date:2020-06-15
Release date:2020-06-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW243
To Be Published
6YWK
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CRYSTAL STRUCTURE OF SARS-COV-2 (COVID-19) NSP3 MACRODOMAIN IN COMPLEX WITH HEPES
Descriptor:NSP3 macrodomain, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Ni, X., Schroeder, M., Olieric, V., Sharpe, E.M., Wojdyla, J.A., Wang, M., Knapp, S., Chaikuad, A., Structural Genomics Consortium (SGC)
Deposit date:2020-04-29
Release date:2020-05-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with HEPES
To Be Published
6YWL
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CRYSTAL STRUCTURE OF SARS-COV-2 (COVID-19) NSP3 MACRODOMAIN IN COMPLEX WITH ADP-RIBOSE
Descriptor:NSP3 macrodomain, ADENOSINE-5-DIPHOSPHORIBOSE, 1,2-ETHANEDIOL, ...
Authors:Schroeder, M., Ni, X., Olieric, V., Sharpe, E.M., Wojdyla, J.A., Wang, M., Knapp, S., Chaikuad, A., Structural Genomics Consortium (SGC)
Deposit date:2020-04-29
Release date:2020-05-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with ADP-ribose
To Be Published
6YWM
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CRYSTAL STRUCTURE OF SARS-COV-2 (COVID-19) NSP3 MACRODOMAIN IN COMPLEX WITH MES
Descriptor:NSP3 macrodomain, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 1,2-ETHANEDIOL, ...
Authors:Ni, X., Schroeder, M., Olieric, V., Sharpe, E.M., Wojdyla, J.A., Wang, M., Knapp, S., Chaikuad, A., Structural Genomics Consortium (SGC)
Deposit date:2020-04-29
Release date:2020-05-06
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with MES
To Be Published
7C2Q
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THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN THE APO STATE
Descriptor:3C-like proteinase
Authors:Zhou, X.L., Zhong, F.L., Lin, C., Hu, X.H., Zhou, H., Wang, Q.S., Li, j., Zhang, J.
Deposit date:2020-05-08
Release date:2020-09-02
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The crystal structure of COVID-19 main protease in the apo state
To Be Published
7C8U
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THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH GC376
Descriptor:Replicase polyprotein 1ab, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Authors:Luan, X., Shang, W., Wang, Y., Yin, W., Jiang, Y., Feng, S., Wang, Y., Liu, M., Zhou, R., Zhang, Z., Wang, F., Cheng, W., Gao, M., Wang, H., Wu, W., Tian, R., Tian, Z., Jin, Y., Jiang, H.W., Zhang, L., Xu, H.E., Zhang, S.
Deposit date:2020-06-03
Release date:2020-06-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The crystal structure of COVID-19 main protease in complex with GC376
To Be Published
6W79
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STRUCTURE OF SARS-COV MAIN PROTEASE BOUND TO POTENT BROAD-SPECTRUM NON-COVALENT INHIBITOR X77
Descriptor:Main protease, DIMETHYL SULFOXIDE, N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide, ...
Authors:Mesecar, A.D., StJohn, S., Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-03-18
Release date:2020-08-26
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:A taxonomically-driven approach to development of potent, broad-spectrum inhibitors of coronavirus main protease including SARS-CoV-2 (COVID-19)
To Be Published
6LU7
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THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH AN INHIBITOR N3
Descriptor:main protease, 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
Authors:Liu, X., Zhang, B., Jin, Z., Yang, H., Rao, Z.
Deposit date:2020-01-26
Release date:2020-02-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
Nature, 582, 2020
6M71
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SARS-COV-2 RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH COFACTORS
Descriptor:SARS-Cov-2 NSP 12, SARS-Cov-2 NSP 7, SARS-Cov-2 NSP 8
Authors:Gao, Y., Yan, L., Huang, Y., Liu, F., Cao, L., Wang, T., Wang, Q., Lou, Z., Rao, Z.
Deposit date:2020-03-16
Release date:2020-04-01
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure of the RNA-dependent RNA polymerase from COVID-19 virus.
Science, 368, 2020
6WCO
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STRUCTURE OF SARS MAIN PROTEASE BOUND TO INHIBITOR X47
Descriptor:Main protease, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide, ...
Authors:Mesecar, A.D., Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-03-30
Release date:2020-08-05
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:A taxonomically-driven approach to development of potent, broad-spectrum inhibitors of coronavirus main protease including SARS-CoV-2 (COVID-19)
To Be Published
6XKP
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CRYSTAL STRUCTURE OF SARS-COV-2 RECEPTOR BINDING DOMAIN IN COMPLEX WITH NEUTRALIZING ANTIBODY CV07-270
Descriptor:Spike protein S1, CV07-270 Heavy Chain, CV07-270 Light Chain, ...
Authors:Liu, H., Yuan, M., Zhu, X., Wu, N.C., Wilson, I.A.
Deposit date:2020-06-26
Release date:2020-10-14
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:A therapeutic non-self-reactive SARS-CoV-2 antibody protects from lung pathology in a COVID-19 hamster model
Cell(Cambridge,Mass.), 2020
170172
PDB entries from 2020-10-21