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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
8GWB
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BU of 8gwb by Molmil
SARS-CoV-2 E-RTC complex with RNA-nsp9
Descriptor: Helicase, MANGANESE (II) ION, Non-structural protein 7, ...
Authors:Yan, L.M, Rao, Z.H, Lou, Z.Y.
Deposit date:2022-09-16
Release date:2022-12-07
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
8GZ5
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BU of 8gz5 by Molmil
Crystal structure of neutralizing VHH P17 in complex with SARS-CoV-2 Alpha variant spike receptor-binding domain
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody P17, ...
Authors:Yamaguchi, K, Anzai, I, Maeda, R, Moriguchi, M, Watanabe, T, Imura, A, Takaori-Kondo, A, Inoue, T.
Deposit date:2022-09-25
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into the rational design of a nanobody that binds with high affinity to the SARS-CoV-2 spike variant.
J.Biochem., 173, 2023
7W9G
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BU of 7w9g by Molmil
Complex structure of Mpro with ebselen-derivative inhibitor
Descriptor: 3C-like proteinase nsp5, SELENIUM ATOM
Authors:Sahoo, P, Kumar, A.
Deposit date:2021-12-09
Release date:2022-12-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M pro ) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2).
Acs Pharmacol Transl Sci, 6, 2023
7WTF
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BU of 7wtf by Molmil
SARS-CoV-2 Omicron variant spike in complex with Fab XGv051
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 XGv051, ...
Authors:Wang, X, Fu, W.
Deposit date:2022-02-04
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
7WTG
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BU of 7wtg by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv051
Descriptor: Heavy chain of XGv051, Light chain of XGv051, Spike protein S1
Authors:Wang, X, Fu, W.
Deposit date:2022-02-04
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
7WTH
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BU of 7wth by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv264
Descriptor: Heavy chain of XGv264, Light chain of XGv264, Spike protein S1
Authors:Wang, X, Fu, W.
Deposit date:2022-02-04
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
7WTJ
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BU of 7wtj by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv286
Descriptor: Heavy chain of XGv286, Light chain of XGv286, Spike protein S1
Authors:Wang, X, Fu, W.
Deposit date:2022-02-04
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
7WTK
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BU of 7wtk by Molmil
SARS-CoV-2 Omicron variant spike in complex with Fab XGv286
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 XGv286, ...
Authors:Wang, X, Fu, W.
Deposit date:2022-02-04
Release date:2022-12-14
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
7X2M
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BU of 7x2m by Molmil
Crystal structure of nanobody 1-2C7 with SARS-CoV-2 RBD
Descriptor: 1-2C7, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
8GWG
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BU of 8gwg by Molmil
A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ...
Authors:Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y.
Deposit date:2022-09-17
Release date:2022-12-14
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
8GWI
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BU of 8gwi by Molmil
A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ...
Authors:Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y.
Deposit date:2022-09-17
Release date:2022-12-14
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
8GWN
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BU of 8gwn by Molmil
A mechanism for SARS-CoV-2 RNA capping and its inhibitor of AT-527
Descriptor: Helicase, Non-structural protein 7, Non-structural protein 8, ...
Authors:Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y.
Deposit date:2022-09-17
Release date:2022-12-14
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
7T72
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BU of 7t72 by Molmil
Epitope-based selection of SARS-CoV-2 neutralizing antibodies from convalescent patients
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody heavy chain, Antibody light chain, ...
Authors:Langley, D.B, Christ, D, Rouet, R.
Deposit date:2021-12-14
Release date:2022-12-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.177 Å)
Cite:Broadly neutralizing SARS-CoV-2 antibodies through epitope-based selection from convalescent patients.
Nat Commun, 14, 2023
7WD1
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BU of 7wd1 by Molmil
Crystal structure of R14 bound to SARS-CoV-2 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, R14, Spike protein S1, ...
Authors:Wang, Q.H, Gao, G.F, Qi, J.X, Su, C, Liu, H.H, Wu, L.L.
Deposit date:2021-12-20
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Two pan-SARS-CoV-2 nanobodies and their multivalent derivatives effectively prevent Omicron infections in mice.
Cell Rep Med, 4, 2023
7WD2
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BU of 7wd2 by Molmil
Crystal structure of S43 bound to SARS-CoV-2 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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:Wang, Q.H, Gao, G.F, Qi, J.X, Su, C, Liu, H.H, Wu, L.L.
Deposit date:2021-12-20
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Two pan-SARS-CoV-2 nanobodies and their multivalent derivatives effectively prevent Omicron infections in mice.
Cell Rep Med, 4, 2023
7WNM
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BU of 7wnm by Molmil
Structure of SARS-CoV-2 Gamma variant receptor-binding domain complexed with high affinity human ACE2 mutant (T27F,R273Q)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ...
Authors:Ma, R.Y, Han, P.C, Wang, Q.H, Han, P.
Deposit date:2022-01-18
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A binding-enhanced but enzymatic activity-eliminated human ACE2 efficiently neutralizes SARS-CoV-2 variants.
Signal Transduct Target Ther, 7, 2022
7WTI
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BU of 7wti by Molmil
SARS-CoV-2 Omicron variant spike in complex with Fab XGv264
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of XGv264, Light chain of XGv264, ...
Authors:Wang, X, Fu, W.
Deposit date:2022-02-04
Release date:2022-12-21
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
7X2K
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BU of 7x2k by Molmil
Crystal structure of nanobody Nb70 with antibody 1F11 fab and SARS-CoV-2 RBD
Descriptor: 1F11-H, 1F11-L, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-21
Last modified:2023-06-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7XA7
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BU of 7xa7 by Molmil
Crystal structure of SARS-CoV-2 receptor-binding domain in complex with intermediate horseshoe bat ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1, ...
Authors:Tang, L.F, Zhang, D, Han, P, Qi, J.X.
Deposit date:2022-03-17
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Structural basis of SARS-CoV-2 and its variants binding to intermediate horseshoe bat ACE2.
Int J Biol Sci, 18, 2022
7XRS
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BU of 7xrs by Molmil
Crystal structure of SARS-Cov-2 main protease in complex with inhibitor YH-53
Descriptor: 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, Replicase polyprotein 1a
Authors:Zhou, X.L, Zhong, F.L, Lin, C, Zeng, P, Zhang, J, Li, J.
Deposit date:2022-05-11
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.
Viruses, 14, 2022
8D47
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BU of 8d47 by Molmil
fp.006 Fab in complex with SARS-CoV-2 Fusion Peptide
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
Authors:Abernathy, M.E, Barnes, C.O.
Deposit date:2022-06-01
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human neutralizing antibodies to cold linear epitopes and subdomain 1 of the SARS-CoV-2 spike glycoprotein.
Sci Immunol, 8, 2023
8HDA
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BU of 8hda by Molmil
Crystal structure of Ubl1 (residues 18-111) of SARS-CoV-2
Descriptor: Papain-like protease nsp3
Authors:Ni, X.C, Lei, J.
Deposit date:2022-11-03
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structure of Ubl1 (residues 18-111) of SARS-CoV-2
To Be Published
7QKA
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BU of 7qka by Molmil
Crystal structure of SARS-CoV-2 Main Protease in complex with covalently bound GC376
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
Deposit date:2021-12-17
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
7VHH
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BU of 7vhh by Molmil
Delta variant of SARS-CoV-2 Spike protein
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:Liu, P.
Deposit date:2021-09-22
Release date:2022-12-28
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure of delta variant SARS-CoV-2 Spike protein
To Be Published
7WCH
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BU of 7wch by Molmil
CryoEM structure of the SARS-CoV-2 S6P(B.1.617.2) in complex with SWA9 Fab
Descriptor: SWA9H, SWA9L, Surface glycoprotein
Authors:Du, S, Xiao, J.Y.
Deposit date:2021-12-20
Release date:2022-12-28
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:CryoEM structure of the SARS-CoV-2 S6P(B.1.617.2) in complex with SWA9 Fab
To Be Published

222415

数据于2024-07-10公开中

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