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COVID-19特辑

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冠状病毒
冠状病毒，2020. 由David S. Goodsell @ RCSB PDB原图修改

最近爆发的新型冠状病毒传染病（Novel Coronavirus disease 2019: COVID-19）对全世界的人们都构成了严重威胁。 为了尽早了解新病毒（Severe Acute Respiratory Syndrome Coronavirus 2: SARS-CoV-2）以开发出有效的抗病毒药物，已经有很多科研人員开始了相关蛋白结构的研究，并且将所获得的结构数据存储于PDB。 PDBj为用户提供了COVID-19相关数据一览的门户页面，并将于每周三更新当日新发布的相关数据。

有关该病毒蛋白质的解说，请参见下面的“当月的分子”页面。

“所有结构”标签的页面则逐一罗列了所有的结构数据，包括由同一研究组提交的系列数据群。 “代表性结构”标签的页面精选具有相同氨基酸序列的结构数据中的高分辨率数据，不重复选择具同一氨基酸序列的数据，即使该数据可能包含不同配体。 “最新条目”标签内包含本周新更新数据。

Created: 2020-09-03 (last edited: more than 1 year ago)2020-12-02
所有结构 (5197)代表性结构 (2266)最新条目 (44)
9BS8
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BU of 9bs8 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor YR-B-107
Descriptor: 3C-like proteinase nsp5, benzyl (7S)-7-({(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6-azaspiro[3.4]octane-6-carboxylate
Authors:Blankenship, L.R, Liu, W.R.
Deposit date:2024-05-13
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the SARS-CoV-2 main protease
To Be Published
9BSA
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BU of 9bsa by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor VB-B-112
Descriptor: 2,2-dichloro-N-(5-chloropyridin-3-yl)-N-phenylacetamide, 3C-like proteinase nsp5
Authors:Blankenship, L.R, Liu, W.R.
Deposit date:2024-05-13
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the SARS-CoV-2 main protease
To Be Published
9BSE
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BU of 9bse by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor YR-B-165
Descriptor: (3S)-N-{(2S)-1-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-2-[(2R)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl]-2-azaspiro[4.5]decane-3-carboxamide, 3C-like proteinase nsp5
Authors:Blankenship, L.R, Liu, W.R.
Deposit date:2024-05-13
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of the SARS-CoV-2 main protease
To Be Published
9BSF
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BU of 9bsf by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor SR-A-171
Descriptor: 3C-like proteinase nsp5, N-(4-tert-butylphenyl)-2,2-dichloro-N-(5-chloropyridin-3-yl)acetamide
Authors:Blankenship, L.R, Liu, W.R.
Deposit date:2024-05-13
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of the SARS-CoV-2 main protease
To Be Published
9BSG
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BU of 9bsg by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor VB-C-20
Descriptor: 3C-like proteinase nsp5, methyl 4-[(5-chloropyridin-3-yl)(phenyl)amino]-4-oxobutanoate
Authors:Blankenship, L.R, Liu, W.R.
Deposit date:2024-05-13
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of the SARS-CoV-2 main protease
To Be Published
9BSI
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BU of 9bsi by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor SR-B-7
Descriptor: 3C-like proteinase nsp5, N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-chloropyridin-3-yl)-2-fluoroacetamide
Authors:Blankenship, L.R, Liu, W.R.
Deposit date:2024-05-13
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the SARS-CoV-2 main protease
To Be Published
9BSO
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BU of 9bso by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor SR-B-13
Descriptor: 3C-like proteinase nsp5, N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-chloropyridin-3-yl)-3-sulfanylpropanamide
Authors:Blankenship, L.R, Liu, W.R.
Deposit date:2024-05-13
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the SARS-CoV-2 main protease
To Be Published
9BSP
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BU of 9bsp by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor VB-C-68
Descriptor: 3C-like proteinase nsp5, methyl 4-{[(1M)-3'-chloro[1,1'-biphenyl]-3-yl](5-chloropyridin-3-yl)amino}-4-oxobutanoate
Authors:Blankenship, L.R, Liu, W.R.
Deposit date:2024-05-13
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of the SARS-CoV-2 main protease
To Be Published
9BSQ
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BU of 9bsq by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor VB-C-70
Descriptor: (2R)-N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-chloropyridin-3-yl)-2-hydroxy-2-sulfanylacetamide, 3C-like proteinase nsp5
Authors:Blankenship, L.R, Liu, W.R.
Deposit date:2024-05-13
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the SARS-CoV-2 main protease
To Be Published
9BSR
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BU of 9bsr by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor YR-B-136B
Descriptor: (1R,2S,5R)-N-[(1R)-1-(7-fluoroisoquinolin-4-yl)-2-iminoethyl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Blankenship, L.R, Liu, W.R.
Deposit date:2024-05-13
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the SARS-CoV-2 main protease
To Be Published
9BST
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BU of 9bst by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor CID8009_5647
Descriptor: 3C-like proteinase nsp5, [3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]methanol
Authors:Blankenship, L.R, Liu, W.R.
Deposit date:2024-05-13
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of the SARS-CoV-2 main protease
To Be Published
9C2H
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BU of 9c2h by Molmil
SARS-CoV-2 Nucleocapsid Dimerization Domain bound to Fab-NP1E9 and Fab-NP3B4
Descriptor: Antibody Fab NP1-E9 Heavy Chain (variable region), Antibody Fab NP1-E9 Light Chain (variable region), Antibody Fab NP3-B4 Heavy Chain (variable region), ...
Authors:Landeras-Bueno, S, Hariharan, C, Diaz Avalos, R, Ollmann Saphire, E.
Deposit date:2024-05-31
Release date:2025-05-14
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural stabilization of the intrinsically disordered SARS-CoV-2 N by binding to RNA sequences engineered from the viral genome
To Be Published
9F7P
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BU of 9f7p by Molmil
SARS-CoV-2 papain-like protease (PLpro) C112S mutant
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MALONATE ION, ...
Authors:Camara-Artigas, A.
Deposit date:2024-05-04
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:SARS-CoV-2 papain-like protease (PLpro) C112S mutant
To Be Published
9F7Q
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BU of 9f7q by Molmil
SARS-CoV-2 papain-like protease (PLpro) C112S mutant
Descriptor: GLYCEROL, Replicase polyprotein 1ab, SULFATE ION, ...
Authors:Camara-Artigas, A.
Deposit date:2024-05-04
Release date:2025-05-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:SARS-CoV-2 papain-like protease (PLpro) C112S mutant
To Be Published
9F7R
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BU of 9f7r by Molmil
SARS-CoV-2 papain-like protease (PLpro) C112S mutant
Descriptor: GLYCEROL, PHOSPHATE ION, Replicase polyprotein 1ab, ...
Authors:Camara-Artigas, A.
Deposit date:2024-05-04
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:SARS-CoV-2 papain-like protease (PLpro) C112S mutant
To Be Published
9F7S
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BU of 9f7s by Molmil
SARS-CoV-2 papain-like protease (PLpro) C112S-K191D-K229R mutant
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MALONATE ION, ...
Authors:Camara-Artigas, A.
Deposit date:2024-05-04
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:SARS-CoV-2 papain-like protease (PLpro) C112S-K191D-K229R mutant
To Be Published
9F7T
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BU of 9f7t by Molmil
SARS-CoV-2 papain-like protease (PLpro) C112S-K191D-K229R mutant: dimer
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Replicase polyprotein 1ab, ...
Authors:Camara-Artigas, A.
Deposit date:2024-05-04
Release date:2025-05-14
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:SARS-CoV-2 papain-like protease (PLpro) C112S-K191D-K229R mutant
To Be Published
9F7U
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BU of 9f7u by Molmil
SARS-CoV-2 papain-like protease (PLpro) C112S-K191D-Q222D-K229R-Q230R-C271S mutant
Descriptor: CHLORIDE ION, GLYCEROL, MALONIC ACID, ...
Authors:Camara-Artigas, A.
Deposit date:2024-05-05
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:SARS-CoV-2 papain-like protease (PLpro) C112S-K191D-Q222D-K229R-Q230R-C271S mutant
To Be Published
9F7Y
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BU of 9f7y by Molmil
SARS-CoV-2 papain-like protease (PLpro) C112S-K191D-Q222D-K229R-Q230R-C271S mutant
Descriptor: CHLORIDE ION, MALONIC ACID, Replicase polyprotein 1ab, ...
Authors:Camara-Artigas, A.
Deposit date:2024-05-05
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:SARS-CoV-2 papain-like protease (PLpro) C112S-K191D-Q222D-K229R-Q230R-C271S mutant
To Be Published
9LVR
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BU of 9lvr by Molmil
Crystal structure of SARS-CoV-2 3CL protease in complex with compound 1
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, 6-(1,3-dihydroisoindol-2-yl)-3-(5-methylpyridin-3-yl)-1-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
Authors:Unoh, Y, Hirai, K, Uehara, S, Kawashima, S, Nobori, H, Sato, J, Shibayama, H, Hori, A, Nakahara, K, Kurahashi, K, Takamatsu, M, Yamamoto, S, Zhang, O, Tanimura, M, Dodo, R, Maruyama, Y, Sawa, H, Watari, R, Miyano, T, Kato, T, Sato, T, Tachibana, Y.
Deposit date:2025-02-12
Release date:2025-05-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of The Clinical Candidate S-892216: A Second-Generation of SARS-CoV-2 3CL Protease Inhibitor for Treating COVID-19
To Be Published
9LVT
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BU of 9lvt by Molmil
Crystal structure of SARS-CoV-2 3CL protease in complex with compound 4
Descriptor: 1-(2-azanylideneethyl)-6-(1,3-dihydroisoindol-2-yl)-3-(5-methylpyridin-3-yl)-5-[[3,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione, 3C-like proteinase
Authors:Unoh, Y, Hirai, K, Uehara, S, Kawashima, S, Nobori, H, Sato, J, Shibayama, H, Hori, A, Nakahara, K, Kurahashi, K, Takamatsu, M, Yamamoto, S, Zhang, O, Tanimura, M, Dodo, R, Maruyama, Y, Sawa, H, Watari, R, Miyano, T, Kato, T, Sato, T, Tachibana, Y.
Deposit date:2025-02-12
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of The Clinical Candidate S-892216: A Second-Generation of SARS-CoV-2 3CL Protease Inhibitor for Treating COVID-19
To Be Published
9LVV
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BU of 9lvv by Molmil
Crystal structure of SARS-CoV-2 3CL protease in complex with compound 17 (S-892216)
Descriptor: 1-(2-azanylideneethyl)-6-[6,6-bis(fluoranyl)-2-azaspiro[3.3]heptan-2-yl]-5-(3-chloranyl-4-fluoranyl-phenyl)-3-(5-chloranylpyridin-3-yl)pyrimidine-2,4-dione, 3C-like proteinase
Authors:Unoh, Y, Hirai, K, Uehara, S, Kawashima, S, Nobori, H, Sato, J, Shibayama, H, Hori, A, Nakahara, K, Kurahashi, K, Takamatsu, M, Yamamoto, S, Zhang, O, Tanimura, M, Dodo, R, Maruyama, Y, Sawa, H, Watari, R, Miyano, T, Kato, T, Sato, T, Tachibana, Y.
Deposit date:2025-02-12
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of The Clinical Candidate S-892216: A Second-Generation of SARS-CoV-2 3CL Protease Inhibitor for Treating COVID-19
To Be Published
7I13
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BU of 7i13 by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment B05 from the F2X-Entry Screen in orthorhombic space group
Descriptor: 2-acetylbenzoic acid, 3C-like proteinase nsp5, CHLORIDE ION, ...
Authors:Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
Deposit date:2025-02-03
Release date:2025-05-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I14
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BU of 7i14 by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment B08 from the F2X-Entry Screen in orthorhombic space group
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ethyl 1,3-dihydro-2H-pyrrolo[3,4-c]pyridine-2-carboxylate
Authors:Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
Deposit date:2025-02-03
Release date:2025-05-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I15
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BU of 7i15 by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment C02 from the F2X-Entry Screen in orthorhombic space group
Descriptor: 2,4,5-tris(fluoranyl)-3-methoxy-benzoic acid, 3C-like proteinase nsp5, CHLORIDE ION, ...
Authors:Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
Deposit date:2025-02-03
Release date:2025-05-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published

238582

数据于2025-07-09公开中

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