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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
7MC6
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BU of 7mc6 by Molmil
Crystal structure of the SARS-CoV-2 ExoN-nsp10 complex containing Mg2+ ion
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Moeller, N.M, Shi, K, Banerjee, S, Yin, L, Aihara, H.
Deposit date:2021-04-01
Release date:2021-05-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and dynamics of SARS-CoV-2 proofreading exoribonuclease ExoN.
Proc.Natl.Acad.Sci.USA, 119, 2022
7B27
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BU of 7b27 by Molmil
RBD domain SARS-CoV2 in complex with neutralizing nanobody NM1230
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Surface glycoprotein, neutralizing nanobody NM1230
Authors:Ostertag, E, Zocher, G, Stehle, T.
Deposit date:2020-11-26
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.902 Å)
Cite:NeutrobodyPlex-monitoring SARS-CoV-2 neutralizing immune responses using nanobodies.
Embo Rep., 22, 2021
7DHG
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BU of 7dhg by Molmil
Crystal structure of SARS-CoV-2 Orf9b complex with human TOM70
Descriptor: Mitochondrial import receptor subunit TOM70, ORF9b protein
Authors:Gao, X, Zhu, K, Qin, B, Olieric, V, Wang, M, Cui, S.
Deposit date:2020-11-14
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of SARS-CoV-2 Orf9b in complex with human TOM70 suggests unusual virus-host interactions.
Nat Commun, 12, 2021
7DPP
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BU of 7dpp by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with myricetin
Descriptor: 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, 3C-like proteinase
Authors:Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C.
Deposit date:2020-12-21
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease.
Nat Commun, 12, 2021
7DPU
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BU of 7dpu by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-myricetin
Descriptor: 3C-like proteinase, 7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one, GLYCEROL
Authors:Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C.
Deposit date:2020-12-21
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease.
Nat Commun, 12, 2021
7DPV
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BU of 7dpv by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-dihydromyricetin
Descriptor: (2S,3S)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one, 3C-like proteinase
Authors:Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C.
Deposit date:2020-12-21
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease.
Nat Commun, 12, 2021
7M3I
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BU of 7m3i by Molmil
Structure of SARS-CoV-2 spike protein receptor binding domain in complex with a neutralizing antibody, CV2-75 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CV2-75 Fab Heavy chain, CV2-75 Fab Light chain, ...
Authors:Hurlburt, N.K, Pancera, M.
Deposit date:2021-03-18
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Isolation and characterization of cross-neutralizing coronavirus antibodies from COVID-19+ subjects.
Cell Rep, 36, 2021
7MF1
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BU of 7mf1 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 47D1
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, 47D1 Fab heavy chain, ...
Authors:Yuan, M, Zhu, X, Wilson, I.A.
Deposit date:2021-04-08
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.092 Å)
Cite:Diverse immunoglobulin gene usage and convergent epitope targeting in neutralizing antibody responses to SARS-CoV-2.
Cell Rep, 35, 2021
7MHF
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BU of 7mhf by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 100 K
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
Authors:Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
Deposit date:2021-04-15
Release date:2021-05-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHG
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BU of 7mhg by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 240 K
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
Authors:Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
Deposit date:2021-04-15
Release date:2021-05-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5302 Å)
Cite:The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHH
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BU of 7mhh by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 277 K
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
Authors:Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
Deposit date:2021-04-15
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1908 Å)
Cite:The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHI
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BU of 7mhi by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 298 K
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
Authors:Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
Deposit date:2021-04-15
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHJ
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BU of 7mhj by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 298 K and High Humidity
Descriptor: 3C-like proteinase, ZINC ION
Authors:Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
Deposit date:2021-04-15
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.0005 Å)
Cite:The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHK
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BU of 7mhk by Molmil
Crystal Structure of Apo/Unliganded SARS-CoV-2 Main Protease (Mpro) at 310 K
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
Authors:Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
Deposit date:2021-04-15
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9601 Å)
Cite:The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHL
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BU of 7mhl by Molmil
Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 100 K
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
Authors:Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
Deposit date:2021-04-15
Release date:2021-05-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHM
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BU of 7mhm by Molmil
Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 240 K
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
Authors:Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
Deposit date:2021-04-15
Release date:2021-05-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5302 Å)
Cite:The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHN
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BU of 7mhn by Molmil
Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 277 K
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
Authors:Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
Deposit date:2021-04-15
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1908 Å)
Cite:The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro )
Iucrj, 9, 2022
7MHO
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BU of 7mho by Molmil
Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 298 K
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
Authors:Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
Deposit date:2021-04-15
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro )
Iucrj, 9, 2022
7MHP
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BU of 7mhp by Molmil
Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 298 K at high humidity
Descriptor: 3C-like proteinase, ZINC ION
Authors:Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
Deposit date:2021-04-15
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.0005 Å)
Cite:The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro )
Iucrj, 9, 2022
7MHQ
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BU of 7mhq by Molmil
Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 310 K
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
Authors:Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
Deposit date:2021-04-15
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9601 Å)
Cite:The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro )
Iucrj, 9, 2022
7MJG
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BU of 7mjg by Molmil
Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein 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:Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S.
Deposit date:2021-04-20
Release date:2021-05-12
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021
7MJH
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BU of 7mjh by Molmil
Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to VH ab8
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:Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S.
Deposit date:2021-04-20
Release date:2021-05-12
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021
7MJI
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BU of 7mji by Molmil
Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to VH ab8 (focused refinement of RBD and VH ab8)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VH ab8
Authors:Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S.
Deposit date:2021-04-20
Release date:2021-05-12
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021
7MJJ
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BU of 7mjj by Molmil
Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to Fab ab1 (class 1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab ab1 Heavy Chain, ...
Authors:Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S.
Deposit date:2021-04-20
Release date:2021-05-12
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021
7MJK
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BU of 7mjk by Molmil
Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to Fab ab1 (class 2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab ab1 Heavy Chain, ...
Authors:Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S.
Deposit date:2021-04-20
Release date:2021-05-12
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021

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数据于2024-08-14公开中

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