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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
7TPI
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BU of 7tpi by Molmil
SARS-CoV-2 E406W mutant Spike ectodomain
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:Addetia, A, Veesler, D.
Deposit date:2022-01-25
Release date:2023-11-15
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:SARS-CoV-2 E406W mutant Spike ectodomain
To Be Published
8F4P
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BU of 8f4p by Molmil
SARS-CoV-2 spike protein trimer (down conformation) bound with a nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-S1 Nanobody, ...
Authors:Laughlin, Z.T, Patel, A, Ortlund, E.A.
Deposit date:2022-11-11
Release date:2023-11-15
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:SARS-CoV-2 spike protein (down conformation) bound with a nanobody
To Be Published
8IX3
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BU of 8ix3 by Molmil
Cryo-EM structure of SARS-CoV-2 BA.4/5 spike protein in complex with 1G11 (local refinement)
Descriptor: BA.4/5 variant spike protein, heavy chain of 1G11, light chain of 1G11
Authors:Sun, H, Jiang, Y, Zheng, Z, Zheng, Q, Li, S.
Deposit date:2023-03-31
Release date:2023-11-15
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.98 Å)
Cite:Structural basis for broad neutralization of human antibody against Omicron sublineages and evasion by XBB variant.
J.Virol., 97, 2023
8U1T
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BU of 8u1t by Molmil
SARS-CoV-2 Envelope Protein Transmembrane Domain: Dimeric Structure Determined by Solid-State NMR
Descriptor: Envelope small membrane protein
Authors:Zhang, R, Qin, H, Prasad, R, Fu, R, Zhou, H.X, Cross, T.
Deposit date:2023-09-02
Release date:2023-11-15
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Dimeric Transmembrane Structure of the SARS-CoV-2 E Protein.
Commun Biol, 6, 2023
8U28
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BU of 8u28 by Molmil
Gaussian mixture model based single particle refinement - SARS (SARS-CoV-2 Spike Proteins on intact virions from EMPIAR-10492)
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:Chen, M, Pintilie, G.
Deposit date:2023-09-05
Release date:2023-11-15
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Improving resolution and resolvability of single-particle cryoEM structures using Gaussian mixture models.
Nat.Methods, 21, 2024
8FIG
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BU of 8fig by Molmil
Room-temperature X-ray structure of SARS-CoV-2 main protease double mutant E290A/R298A in complex with GC373
Descriptor: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Kovalevsky, A, Coates, L, Kneller, D.W.
Deposit date:2022-12-16
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Insights into the mechanism of SARS-CoV-2 main protease autocatalytic maturation from model precursors.
Commun Biol, 6, 2023
8SQ9
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BU of 8sq9 by Molmil
SARS-CoV-2 replication-transcription complex bound to nsp9 and UMPCPP, as a pre-catalytic NMPylation intermediate
Descriptor: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine, MAGNESIUM ION, Non-structural protein 7, ...
Authors:Small, G.I, Darst, S.A, Campbell, E.A.
Deposit date:2023-05-04
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural and functional insights into the enzymatic plasticity of the SARS-CoV-2 NiRAN domain.
Mol.Cell, 83, 2023
8SQJ
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BU of 8sqj by Molmil
SARS-CoV-2 replication-transcription complex bound to RNA-nsp9, as a noncatalytic RNA-nsp9 binding mode
Descriptor: 5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine, MAGNESIUM ION, Non-structural protein 7, ...
Authors:Small, G.I, Darst, S.A, Campbell, E.A.
Deposit date:2023-05-04
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Structural and functional insights into the enzymatic plasticity of the SARS-CoV-2 NiRAN domain.
Mol.Cell, 83, 2023
8SQK
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BU of 8sqk by Molmil
SARS-CoV-2 replication-transcription complex bound to RNA-nsp9 and GDP-betaS, as a pre-catalytic deRNAylation/mRNA capping intermediate
Descriptor: 5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine, MAGNESIUM ION, Non-structural protein 7, ...
Authors:Small, G.I, Darst, S.A, Campbell, E.A.
Deposit date:2023-05-04
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structural and functional insights into the enzymatic plasticity of the SARS-CoV-2 NiRAN domain.
Mol.Cell, 83, 2023
8X1H
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BU of 8x1h by Molmil
Crystal structure of N-terminal domain of Nucleocapsid protein of SARS-CoV-2
Descriptor: GLYCEROL, Nucleoprotein
Authors:Kumari, S, Gupta, G.D.
Deposit date:2023-11-07
Release date:2023-11-22
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Unveiling potential inhibitors targeting the nucleocapsid protein of SARS-CoV-2: Structural insights into their binding sites.
Int.J.Biol.Macromol., 273, 2024
7YBN
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BU of 7ybn by Molmil
SARS-CoV-2 C.1.2 variant spike (Open state)
Descriptor: Spike glycoprotein
Authors:Wang, X, Fu, W.
Deposit date:2022-06-29
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (3.82 Å)
Cite:SARS-CoV-2 lambda variant spike
To Be Published
8I4S
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BU of 8i4s by Molmil
the complex structure of SARS-CoV-2 Mpro with D8
Descriptor: 3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one, ORF1a polyprotein
Authors:Lu, M.
Deposit date:2023-01-21
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of quinazolin-4-one-based non-covalent inhibitors targeting the severe acute respiratory syndrome coronavirus 2 main protease (SARS-CoV-2 M pro ).
Eur.J.Med.Chem., 257, 2023
8J1T
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BU of 8j1t by Molmil
Local refined cryo-EM structure of Omicron BA.5 RBD in complex with 8-9D Fab
Descriptor: 8-9D heavy chain, 8-9D light chain, Spike protein
Authors:Xiang, Y, Li, R.
Deposit date:2023-04-13
Release date:2023-11-29
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:A lung-selective delivery of mRNA encoding broadly neutralizing antibody against SARS-CoV-2 infection.
Nat Commun, 14, 2023
8J1V
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BU of 8j1v by Molmil
Cryo-EM structure of SARS-CoV2 Omicron BA.5 spike in complex with 8-9D Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 8-9D heavy chain, 8-9D light chain, ...
Authors:Xiang, Y, Li, R.
Deposit date:2023-04-13
Release date:2023-11-29
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:A lung-selective delivery of mRNA encoding broadly neutralizing antibody against SARS-CoV-2 infection.
Nat Commun, 14, 2023
8R0V
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BU of 8r0v by Molmil
SARS-CoV-2 Mpro (Omicron, P132H) in complex with alpha-ketoamide 13b-K at pH 6.5
Descriptor: 3C-like proteinase nsp5, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
Authors:Ibrahim, M, Sun, X, Hilgenfeld, R.
Deposit date:2023-11-01
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:SARS-CoV-2 Omicron (P132H) complex with alpha-ketoamide 13b-K at pH 6.5
To Be Published
8R19
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BU of 8r19 by Molmil
SARS-CoV-2 Mpro (Omicron, P132H) free enzyme
Descriptor: 3C-like proteinase nsp5
Authors:Ibrahim, M, Sun, X, Hilgenfeld, R.
Deposit date:2023-11-01
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:SARS-CoV-2 Omicron (P132H) complex with alpha-ketoamide 13b-K at pH 6.5
To Be Published
8T5P
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BU of 8t5p by Molmil
SARS-CoV-2 ORF3a peptide in complex with TRAF3 TRAF domain
Descriptor: ORF3a protein, TNF receptor-associated factor 3
Authors:Busscher, B.M, Xiao, T.S.
Deposit date:2023-06-14
Release date:2023-11-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:SARS-CoV-2 ORF3a-Mediated NF-kappa B Activation Is Not Dependent on TRAF-Binding Sequence.
Viruses, 15, 2023
8T5Q
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BU of 8t5q by Molmil
SARS-CoV-2 ORF3a peptide in complex with TRAF2 TRAF domain
Descriptor: DI(HYDROXYETHYL)ETHER, ORF3a protein, TETRAETHYLENE GLYCOL, ...
Authors:Busscher, B.M, Xiao, T.S.
Deposit date:2023-06-14
Release date:2023-11-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:SARS-CoV-2 ORF3a-Mediated NF-kappa B Activation Is Not Dependent on TRAF-Binding Sequence.
Viruses, 15, 2023
8UUL
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BU of 8uul by Molmil
Prototypic SARS-CoV-2 spike (containing K417) in the closed conformation
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:Geng, Q, Liu, B, Li, F.
Deposit date:2023-11-01
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Lys417 acts as a molecular switch that regulates the conformation of SARS-CoV-2 spike protein.
Elife, 12, 2023
8UUM
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BU of 8uum by Molmil
Prototypic SARS-CoV-2 spike (containing K417) in the open conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose, ...
Authors:Geng, Q, Liu, B, Li, F.
Deposit date:2023-11-01
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Lys417 acts as a molecular switch that regulates the conformation of SARS-CoV-2 spike protein.
Elife, 12, 2023
8UUN
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BU of 8uun by Molmil
Prototypic SARS-CoV-2 spike (containing V417) in the closed conformation
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:Geng, Q, Liu, B, Li, F.
Deposit date:2023-11-01
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Lys417 acts as a molecular switch that regulates the conformation of SARS-CoV-2 spike protein.
Elife, 12, 2023
8UUO
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BU of 8uuo by Molmil
Prototypic SARS-CoV-2 spike (containing V417) in the open conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose, ...
Authors:Geng, Q, Liu, B, Li, F.
Deposit date:2023-11-01
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Lys417 acts as a molecular switch that regulates the conformation of SARS-CoV-2 spike protein.
Elife, 12, 2023
8WRH
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BU of 8wrh by Molmil
SARS-CoV-2 XBB.1.5.70 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:2023-10-14
Release date:2023-11-29
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.08 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
8WRL
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BU of 8wrl by Molmil
XBB.1.5 RBD in complex with ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1
Authors:Feng, L.L, Feng, L.L.
Deposit date:2023-10-15
Release date:2023-11-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.36 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
7YC2
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BU of 7yc2 by Molmil
Crystal structure of auxiliary protein in complex with human protein
Descriptor: ORF, Protein zyg-11 homolog B
Authors:Gao, X, Cui, S.
Deposit date:2022-06-30
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:SARS-CoV-2 ORF10 hijacking ubiquitination machinery reveals potential unique drug targeting sites
Acta Pharm Sin B, 2024

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数据于2024-07-10公开中

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