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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
8HWT
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BU of 8hwt by Molmil
SARS-CoV-2 Omicron BA.2 RBD complexed with BD-604 and S304 Fab
Descriptor: BD-604 heavy chain, BD-604 light chain, S304 heavy chain, ...
Authors:He, Q.W, Xie, Y.
Deposit date:2023-01-02
Release date:2023-12-06
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:An updated atlas of antibody evasion by SARS-CoV-2 Omicron sub-variants including BQ.1.1 and XBB.
Cell Rep Med, 4, 2023
8UYS
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BU of 8uys by Molmil
SARS-CoV-2 5' proximal stem-loop 5
Descriptor: SARS-CoV-2 RNA SL5 domain.
Authors:Kretsch, R.C, Xu, L, Zheludev, I.N, Zhou, X, Huang, R, Nye, G, Li, S, Zhang, K, Chiu, W, Das, R.
Deposit date:2023-11-14
Release date:2023-12-06
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Tertiary folds of the SL5 RNA from the 5' proximal region of SARS-CoV-2 and related coronaviruses.
Proc.Natl.Acad.Sci.USA, 121, 2024
8WRM
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BU of 8wrm by Molmil
XBB.1.5 spike protein in complex with ACE2
Descriptor: Processed angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Feng, L.L, Feng, L.L.
Deposit date:2023-10-15
Release date:2023-12-06
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (4.34 Å)
Cite:Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
8WRO
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BU of 8wro by Molmil
XBB.1.5.10 spike protein in complex with ACE2
Descriptor: Processed angiotensin-converting enzyme 2, Spike glycoprotein,Spike glycoprotein,Spike glycoprotein,Fusion protein
Authors:Feng, L.L, Feng, L.L.
Deposit date:2023-10-15
Release date:2023-12-06
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
8BS1
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BU of 8bs1 by Molmil
Room-temperature structure of SARS-CoV-2 Main protease at atmospheric pressure
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Lieske, J, Saouane, S, Guenther, S, Reinke, P.Y.A, Rahmani Mashhour, A, Meents, A.
Deposit date:2022-11-24
Release date:2023-12-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:High-pressure macromolecular crystallography to explore the conformational space of proteins
To Be Published
8BS2
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BU of 8bs2 by Molmil
Room-temperature structure of SARS-CoV-2 Main protease at 104 MPa helium gas pressure in a sapphire capillary
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Lieske, J, Saouane, S, Guenther, S, Reinke, P.Y.A, Rahmani Mashhour, A, Meents, A.
Deposit date:2022-11-24
Release date:2023-12-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:High-pressure macromolecular crystallography to explore the conformational space of proteins
To Be Published
8F2J
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BU of 8f2j by Molmil
Crystal structure of antibody WRAIR-2134 in complex with SARS-CoV-2 receptor binding domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, ...
Authors:Sankhala, R.S, Joyce, M.G.
Deposit date:2022-11-08
Release date:2023-12-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Antibody Targeting of Conserved Sites of Vulnerability on the SARS-CoV-2 Spike Receptor-Binding Domain.
To Be Published
8FAH
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BU of 8fah by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with SARS-CoV-2 reactive human antibody CR3022
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CR3022 Fab heavy chain, CR3022 Fab light chain, ...
Authors:Sankhala, R.S, Jensen, J.L, Joyce, M.G.
Deposit date:2022-11-26
Release date:2023-12-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (4.22 Å)
Cite:Antibody targeting of conserved sites of vulnerability on the SARS-CoV-2 spike receptor-binding domain.
Structure, 32, 2024
8HOL
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BU of 8hol by Molmil
Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro)
Descriptor: 3C-like proteinase nsp5
Authors:Lin, M, Liu, X.
Deposit date:2022-12-10
Release date:2023-12-13
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Molecular mechanism of ensitrelvir inhibiting SARS-CoV-2 main protease and its variants.
Commun Biol, 6, 2023
8HOM
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BU of 8hom by Molmil
Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro) in Complex with Ensitrelvir
Descriptor: 3C-like proteinase nsp5, 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:2022-12-10
Release date:2023-12-13
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Molecular mechanism of ensitrelvir inhibiting SARS-CoV-2 main protease and its variants.
Commun Biol, 6, 2023
8HOZ
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BU of 8hoz by Molmil
Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro) in Complex with Nirmatrelvir
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Lin, M, Liu, X.
Deposit date:2022-12-11
Release date:2023-12-13
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Molecular mechanism of ensitrelvir inhibiting SARS-CoV-2 main protease and its variants.
Commun Biol, 6, 2023
8K45
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BU of 8k45 by Molmil
A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses including all major Omicron strains
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nb4 nanobody, ...
Authors:Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H.
Deposit date:2023-07-17
Release date:2023-12-13
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains.
MedComm (2020), 4, 2023
8K46
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BU of 8k46 by Molmil
A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses including all major Omicron strains
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H.
Deposit date:2023-07-17
Release date:2023-12-13
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains.
MedComm (2020), 4, 2023
8K47
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BU of 8k47 by Molmil
A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses including all major Omicron strains
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H.
Deposit date:2023-07-17
Release date:2023-12-13
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains.
MedComm (2020), 4, 2023
8SGU
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BU of 8sgu by Molmil
Crystal structure of the SARS-CoV-2 receptor binding domain
Descriptor: 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, GLYCEROL, ...
Authors:Sankhala, R.S, Jensen, J.L, Joyce, M.G.
Deposit date:2023-04-13
Release date:2023-12-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Antibody targeting of conserved sites of vulnerability on the SARS-CoV-2 spike receptor-binding domain.
Structure, 32, 2024
8SMI
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BU of 8smi 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, Jensen, J.L, Joyce, M.G.
Deposit date:2023-04-26
Release date:2023-12-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Antibody targeting of conserved sites of vulnerability on the SARS-CoV-2 spike receptor-binding domain.
Structure, 32, 2024
8UH5
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BU of 8uh5 by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-272
Descriptor: (1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER
Authors:Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H.
Deposit date:2023-10-06
Release date:2023-12-13
Last modified:2025-02-19
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:An orally available P1'-5-fluorinated M pro inhibitor blocks SARS-CoV-2 replication without booster and exhibits high genetic barrier.
Pnas Nexus, 4, 2025
8WOX
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BU of 8wox by Molmil
Cryo-EM structure of SARS-CoV-2 prototype RBD in complex with rabbit ACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1, ...
Authors:Li, L.J, Shi, K.Y, Yu, G.H, Gao, G.F.
Deposit date:2023-10-08
Release date:2023-12-13
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Structural basis of increased binding affinities of spikes from SARS-CoV-2 Omicron variants to rabbit and hare ACE2s reveals the expanding host tendency.
Mbio, 15, 2024
8WOY
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BU of 8woy by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.4/5 RBD in complex with rabbit ACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1, ...
Authors:Li, L.J, Shi, K.Y, Yu, G.H, Gao, G.F.
Deposit date:2023-10-08
Release date:2023-12-13
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Structural basis of increased binding affinities of spikes from SARS-CoV-2 Omicron variants to rabbit and hare ACE2s reveals the expanding host tendency.
Mbio, 15, 2024
8WTD
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BU of 8wtd by Molmil
XBB.1.5.10 RBD in complex with ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S2'
Authors:Feng, L.L, Feng, L.L.
Deposit date:2023-10-18
Release date:2023-12-13
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
8WTJ
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BU of 8wtj by Molmil
XBB.1.5.70 spike protein in complex with ACE2
Descriptor: Processed angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Feng, L.L, Feng, L.L.
Deposit date:2023-10-18
Release date:2023-12-13
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (4.64 Å)
Cite:Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
8HPF
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BU of 8hpf by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with fab L4.65 and L5.34
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S2', fab L4.65, ...
Authors:Gao, G.F, Liu, S.
Deposit date:2022-12-12
Release date:2023-12-20
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.34 Å)
Cite:Dosing interval regimen shapes potency and breadth of antibody repertoire after vaccination of SARS-CoV-2 RBD protein subunit vaccine.
Cell Discov, 9, 2023
8HPU
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BU of 8hpu by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.4 RBD in complex with fab L4.65 and L5.34
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S2', fab L4.65, ...
Authors:Gao, G.F, Liu, S.
Deposit date:2022-12-13
Release date:2023-12-20
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:Dosing interval regimen shapes potency and breadth of antibody repertoire after vaccination of SARS-CoV-2 RBD protein subunit vaccine.
Cell Discov, 9, 2023
8HQ7
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BU of 8hq7 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron Prototype RBD in complex with fab L4.65 and L5.34
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, fab L4.65, ...
Authors:Gao, G.F, Liu, S.
Deposit date:2022-12-13
Release date:2023-12-20
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Dosing interval regimen shapes potency and breadth of antibody repertoire after vaccination of SARS-CoV-2 RBD protein subunit vaccine.
Cell Discov, 9, 2023
8HQG
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BU of 8hqg by Molmil
Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with inhibitor YH-53
Descriptor: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:Wang, J, Zhang, J, Li, J.
Deposit date:2022-12-13
Release date:2023-12-20
Last modified:2025-01-01
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structures of main proteases of SARS-CoV-2 variants bound to a benzothiazole-based inhibitor.
Acta Biochim.Biophys.Sin., 55, 2023

238268

数据于2025-07-02公开中

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