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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
8INX
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BU of 8inx by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) G15S Mutant in Complex with Inhibitor ensitrelvir
Descriptor: 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
Authors:Lin, M, Liu, X.
Deposit date:2023-03-10
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Crystal Structure of SARS-CoV-2 Main Protease (Mpro) G15S Mutant in Complex with Inhibitor ensitrelvir
To Be Published
8INY
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BU of 8iny by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) K90R Mutant in Complex with Inhibitor ensitrelvir
Descriptor: 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
Authors:Lin, M, Liu, X.
Deposit date:2023-03-10
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystal Structure of SARS-CoV-2 Main Protease (Mpro) K90R Mutant in Complex with Inhibitor ensitrelvir
To Be Published
8R1C
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BU of 8r1c by Molmil
SD1-2 Fab in complex with SARS-CoV-2 BA.2.12.1 Spike Glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SD1-2 fab heavy chain, SD1-2 fab light chain, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
Deposit date:2023-11-01
Release date:2024-03-13
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:The SARS-CoV-2 neutralizing antibody response to SD1 and its evasion by BA.2.86.
Nat Commun, 15, 2024
8SDF
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BU of 8sdf by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CC25.4
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yuan, M, Wilson, I.A.
Deposit date:2023-04-06
Release date:2024-03-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift.
Biorxiv, 2023
8SDG
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BU of 8sdg by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CC25.43
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neutralizing antibody CC25.43 heavy chain, Neutralizing antibody CC25.43 light chain, ...
Authors:Yuan, M, Wilson, I.A.
Deposit date:2023-04-06
Release date:2024-03-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift.
Biorxiv, 2023
8SIQ
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BU of 8siq by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with broadly neutralizing antibodies CC25.36 and CV38-142 Fab
Descriptor: CC25.36 Fab heavy chain, CC25.36 Fab light chain, CV38-142 Fab heavy chain, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2023-04-16
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift
Biorxiv, 2023
8SIR
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BU of 8sir by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with broadly neutralizing antibody CC25.54 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC25.54 Fab heavy chain, CC25.54 Fab light chain, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2023-04-16
Release date:2024-03-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift
Biorxiv, 2023
8SIS
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BU of 8sis by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with broadly neutralizing antibody CC84.2 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC84.2 Fab heavy chain, CC84.2 Fab light chain, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2023-04-16
Release date:2024-03-13
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift
Biorxiv, 2023
8SIT
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BU of 8sit by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with broadly neutralizing antibody CC84.24 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC84.24 fab heavy chain, CC84.24 fab light chain, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2023-04-16
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift
Biorxiv, 2023
8S8X
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BU of 8s8x by Molmil
SARS-CoV-2 nsp10-16 methyltransferase in complex with Toyocamycin and m7GpppA-RNA (Cap0-RNA)
Descriptor: 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ...
Authors:Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S.
Deposit date:2024-03-07
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
8TH5
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BU of 8th5 by Molmil
Crystal Structure of the G3BP1 NTF2-like domain bound to the IDR1 of SARS-CoV-2 nucleocapsid protein P13L mutant
Descriptor: Nucleoprotein, Ras GTPase-activating protein-binding protein 1
Authors:Hughes, M.P, Taylor, J.P, Yang, Z.
Deposit date:2023-07-13
Release date:2024-03-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Interaction between host G3BP and viral nucleocapsid protein regulates SARS-CoV-2 replication and pathogenicity.
Cell Rep, 43, 2024
8VEC
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BU of 8vec by Molmil
Deep Mutational Scanning of SARS-CoV-2 PLpro
Descriptor: Papain-like protease nsp3, ZINC ION
Authors:Wu, X, Nguyen, J.V, Call, M.E, Call, M.J.
Deposit date:2023-12-18
Release date:2024-03-20
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mutational profiling of SARS-CoV-2 papain-like protease reveals requirements for function, structure, and drug escape.
Nat Commun, 15, 2024
9EMJ
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BU of 9emj by Molmil
SARS-CoV-2 methyltransferase nsp10-16 in complex with Toyocamycin and m7GpppA (Cap0-analog)
Descriptor: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ...
Authors:Kremling, V, Sprenger, J, Oberthuer, D, Kiene, A.
Deposit date:2024-03-08
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
8VYE
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BU of 8vye by Molmil
SARS-CoV-2 S (C.37 Lambda variant) plus S309, S2L20, and S2X303 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 Heavy Chain, S2L20 Light Chain, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-02-08
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Quantifying how single dose Ad26.COV2.S vaccine efficacy depends on Spike sequence features.
Nat Commun, 15, 2024
8VYF
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BU of 8vyf by Molmil
SARS-CoV-2 S NTD (C.37 Lambda variant) plus S2L20 and S2X303 Fabs, local refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 Heavy Chain, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-02-08
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Quantifying how single dose Ad26.COV2.S vaccine efficacy depends on Spike sequence features.
Nat Commun, 15, 2024
8VYG
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BU of 8vyg by Molmil
SARS-CoV-2 S RBD (C.37 Lambda variant) plus S309 Fab, local refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S309 Heavy Chain, S309 Light Chain, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-02-08
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Quantifying how single dose Ad26.COV2.S vaccine efficacy depends on Spike sequence features.
Nat Commun, 15, 2024
8WLO
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BU of 8wlo by Molmil
Cryo-EM structure of SARS-CoV-2 prototype spike protein in complex with hippopotamus ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
Authors:Han, P, Yang, R.R, Li, S.H.
Deposit date:2023-09-30
Release date:2024-03-27
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.62 Å)
Cite:Molecular basis of hippopotamus ACE2 binding to SARS-CoV-2.
J.Virol., 98, 2024
8WLR
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BU of 8wlr by Molmil
Cryo-EM structure of SARS-CoV-2 prototype spike protein receptor-binding domain in complex with hippopotamus ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike glycoprotein, ...
Authors:Han, P, Yang, R.R, Li, S.H.
Deposit date:2023-09-30
Release date:2024-03-27
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Molecular basis of hippopotamus ACE2 binding to SARS-CoV-2.
J.Virol., 98, 2024
8QZR
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BU of 8qzr by Molmil
SARS-CoV-2 delta RBD complexed with BA.4/5-9 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BA.4/5-9 heavy chain, BA.4/5-9 light chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2023-10-29
Release date:2024-04-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.77 Å)
Cite:Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection.
Nat Commun, 15, 2024
8S9Z
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BU of 8s9z by Molmil
Mpro inhibitors of SARS-CoV-2
Descriptor: 3C-like proteinase nsp5, Mpro inhibitor
Authors:Blankenship, L.R, Liu, W.R.
Deposit date:2023-03-30
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of MPI89 with Mpro of SARS-CoV-2 at 1.85A resolution.
To Be Published
8F2X
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BU of 8f2x by Molmil
Crystal structure of antibody WRAIR-2123 in complex with SARS-CoV-2 receptor binding domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, WRAIR-2123 Fab Heavy chain, ...
Authors:Sankhala, R.S, Joyce, G.M.
Deposit date:2022-11-08
Release date:2024-04-17
Method:X-RAY DIFFRACTION (3.501 Å)
Cite:Antibody Targeting of Conserved Sites of Vulnerability on the SARS-CoV-2 Spike Receptor-Binding Domain
To Be Published
8J38
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BU of 8j38 by Molmil
Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with PF00835231
Descriptor: 3C-like proteinase nsp5, 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
Authors:Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
Deposit date:2023-04-16
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with PF00835231
To Be Published
8J39
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BU of 8j39 by Molmil
Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF00835231
Descriptor: 3C-like proteinase nsp5, 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
Authors:Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
Deposit date:2023-04-16
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF00835231
To Be Published
8J3B
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BU of 8j3b by Molmil
Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF00835231
Descriptor: 3C-like proteinase nsp5, 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
Authors:Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
Deposit date:2023-04-16
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF00835231
To Be Published
8KHC
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BU of 8khc by Molmil
SARS-CoV-2 Omicron spike in complex with 5817 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 5817 Fab, ...
Authors:Cao, L, Wang, X.
Deposit date:2023-08-21
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Identification of a broad sarbecovirus neutralizing antibody targeting a conserved epitope on the receptor-binding domain.
Cell Rep, 43, 2024

223790

数据于2024-08-14公开中

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