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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
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
Last modified:2024-11-13
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
Last modified:2024-11-06
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
Last modified:2025-01-08
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:2024-10-30
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:2024-10-23
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:2024-11-13
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
Last modified:2024-11-13
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
Last modified:2024-11-06
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
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
Last modified:2025-05-07
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural basis for the inhibition of coronaviral main proteases by PF-00835231.
Acta Biochim.Biophys.Sin., 56, 2024
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
Last modified:2025-05-07
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural basis for the inhibition of coronaviral main proteases by PF-00835231.
Acta Biochim.Biophys.Sin., 56, 2024
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
Last modified:2025-06-25
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
8KHD
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BU of 8khd by Molmil
The interface structure of Omicron RBD binding to 5817 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 5817, Light chain of 5817, ...
Authors:Cao, L, Wang, X.
Deposit date:2023-08-21
Release date:2024-04-17
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Identification of a broad sarbecovirus neutralizing antibody targeting a conserved epitope on the receptor-binding domain.
Cell Rep, 43, 2024
8WZP
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BU of 8wzp by Molmil
Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with CCF0058981
Descriptor: 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide, 3C-like proteinase nsp5
Authors:Jiang, H.H, Zou, X.F, Zhou, X.L, Zhang, J, Li, J.
Deposit date:2023-11-02
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structure of SARS-CoV-2 main protease (M pro ) mutants in complex with the non-covalent inhibitor CCF0058981.
Biochem.Biophys.Res.Commun., 692, 2024
8WZQ
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BU of 8wzq by Molmil
Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with CCF0058981
Descriptor: 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide, 3C-like proteinase nsp5
Authors:Zou, X.F, Jiang, H.H, Zhou, X.L, Zhang, J, Li, J.
Deposit date:2023-11-02
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Crystal structure of SARS-CoV-2 main protease (M pro ) mutants in complex with the non-covalent inhibitor CCF0058981.
Biochem.Biophys.Res.Commun., 692, 2024
9EPL
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BU of 9epl by Molmil
Mpro from SARS-CoV-2 with 298Q mutation
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Non-structural protein 11, ...
Authors:Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y.
Deposit date:2024-03-18
Release date:2024-04-17
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
9EPM
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BU of 9epm by Molmil
Mpro from SARS-CoV-2 with 4A mutation
Descriptor: Non-structural protein 11
Authors:Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y.
Deposit date:2024-03-19
Release date:2024-04-17
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
7YLD
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BU of 7yld by Molmil
Two monobodies recognizing the conserved epitopes of SARS-CoV-2 N antigen applicable to the broad COVID-19 diagnosis
Descriptor: NN2, Nucleoprotein
Authors:Hu, M, Du, Y, Sun, R, Hao, Q.
Deposit date:2022-07-26
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Two monobodies recognizing the conserved epitopes of SARS-CoV-2 N antigen applicable to the broad COVID-19 diagnosis
To Be Published
8UD2
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BU of 8ud2 by Molmil
SARS-CoV-2 Nsp15, apo-form
Descriptor: Non-structural protein 15
Authors:Ito, F, Yang, H, Zhou, Z.H, Chen, X.S.
Deposit date:2023-09-28
Release date:2024-04-24
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.33 Å)
Cite:Structural basis for polyuridine tract recognition by SARS-CoV-2 Nsp15.
Protein Cell, 15, 2024
8UD3
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BU of 8ud3 by Molmil
SARS-CoV-2 Nsp15 bound to poly(A/U) RNA, consensus form
Descriptor: Non-structural protein 15, RNA (35-MER)
Authors:Ito, F, Yang, H, Zhou, Z.H, Chen, X.S.
Deposit date:2023-09-28
Release date:2024-04-24
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (2.67 Å)
Cite:Structural basis for polyuridine tract recognition by SARS-CoV-2 Nsp15.
Protein Cell, 15, 2024
8WMF
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BU of 8wmf by Molmil
Structure of the SARS-CoV-2 EG.5.1 spike glycoprotein (closed-1 state)
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:Nomai, T, Anraku, Y, Kita, S, Hashiguchi, T, Maenaka, K.
Deposit date:2023-10-03
Release date:2024-04-24
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:Virological characteristics of the SARS-CoV-2 Omicron EG.5.1 variant.
Microbiol Immunol, 68, 2024
8XEA
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BU of 8xea by Molmil
XBB.1.5 spike protein in complex with BD55-1205
Descriptor: BD55-1205 heavy chain, BD55-1205 light chain, Spike glycoprotein
Authors:Feng, L.L.
Deposit date:2023-12-11
Release date:2024-04-24
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:XBB.1.5 spike protein in complex with BD55-1205
To Be Published
8XI6
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BU of 8xi6 by Molmil
SARS-CoV-2 Omicron BQ.1.1 Variant Spike Protein Complexed with MO11 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ishimaru, H, Nishimura, M, Shigematsu, H, Marini, M.I, Hasegawa, N, Takamiya, R, Iwata, S, Mori, Y.
Deposit date:2023-12-19
Release date:2024-04-24
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Epitopes of an antibody that neutralizes a wide range of SARS-CoV-2 variants in a conserved subdomain 1 of the spike protein.
J.Virol., 98, 2024
9ART
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BU of 9art by Molmil
Crystal structure of SARS-CoV-2 main protease A191T mutant in complex with an inhibitor 5h
Descriptor: 3C-like proteinase nsp5, N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:Bulut, H, Hattori, S, Hayashi, H, Hasegawa, K, Li, M, Wlodawer, A, Tamamura, H, Mitsuya, H.
Deposit date:2024-02-23
Release date:2024-04-24
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural and virologic mechanism of the emergence of resistance to M pro inhibitors in SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 121, 2024

238582

数据于2025-07-09公开中

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