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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
9AVQ
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BU of 9avq by Molmil
Crystal structure of SARS-CoV-2 main protease A191T mutant in complex with an inhibitor 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, DI(HYDROXYETHYL)ETHER
Authors:Bulut, H, Hattori, S, Hayashi, H, Hasegawa, K, Li, M, Wlodawer, A, Tamamura, H, Mitsuya, H.
Deposit date:2024-03-04
Release date:2024-04-24
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.58 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
8J36
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BU of 8j36 by Molmil
Crystal structure of SARS-Cov-2 main protease M49I 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:2024-05-01
Last modified:2025-05-07
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural basis for the inhibition of coronaviral main proteases by PF-00835231.
Acta Biochim.Biophys.Sin., 56, 2024
8SH8
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BU of 8sh8 by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain Asn40Asp mutant in complex with ADP-ribose (P43 crystal form)
Descriptor: Papain-like protease nsp3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2023-04-13
Release date:2024-05-01
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Crystal structure of SARS-CoV-2 NSP3 macrodomain Asn40Asp mutant in complex with ADP-ribose (P43 crystal form)
To Be Published
8VQR
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BU of 8vqr by Molmil
Crystal structure of chimeric SARS-CoV-2 RBD complexed with chimeric raccoon dog ACE2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hsueh, F.-C, Shi, K, Aihara, H, Li, F.
Deposit date:2024-01-19
Release date:2024-05-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.565 Å)
Cite:Structural basis for raccoon dog receptor recognition by SARS-CoV-2.
Plos Pathog., 20, 2024
8XLM
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BU of 8xlm by Molmil
Structure of the SARS-CoV-2 EG.5.1 spike glycoprotein in complex with ACE2 (1-up 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, Processed angiotensin-converting enzyme 2, ...
Authors:Nomai, T, Anraku, Y, Kita, S, Hashiguchi, T, Maenaka, K.
Deposit date:2023-12-26
Release date:2024-05-01
Last modified:2024-11-27
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Virological characteristics of the SARS-CoV-2 Omicron EG.5.1 variant.
Microbiol Immunol, 68, 2024
8XLN
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BU of 8xln by Molmil
Structure of the SARS-CoV-2 EG.5.1 spike RBD in complex with 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, Processed angiotensin-converting enzyme 2, ...
Authors:Nomai, T, Anraku, Y, Kita, S, Hashiguchi, T, Maenaka, K.
Deposit date:2023-12-26
Release date:2024-05-01
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Virological characteristics of the SARS-CoV-2 Omicron EG.5.1 variant.
Microbiol Immunol, 68, 2024
8OWT
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BU of 8owt by Molmil
SARS-CoV-2 spike RBD with A8 and H3 nanobodies bound
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody A8, ...
Authors:Mikolajek, H, Naismith, J.H, Owens, R.J.
Deposit date:2023-04-28
Release date:2024-05-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024
8OWV
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BU of 8owv by Molmil
H6 and F2 nanobodies bound to SARS-CoV-2 spike RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, F2, GLYCEROL, ...
Authors:Mikolajek, H, Naismith, J.H, Owens, R.J.
Deposit date:2023-04-28
Release date:2024-05-08
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024
8OWW
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BU of 8oww by Molmil
B5-5 nanobody bound to SARS-CoV-2 spike RBD (Wuhan)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, B5-5 nanobody, ...
Authors:Cornish, K.A.S, Naismith, J.H, Owens, R.J.
Deposit date:2023-04-28
Release date:2024-05-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.969 Å)
Cite:Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024
8QRF
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BU of 8qrf by Molmil
SARS-CoV-2 delta RBD complexed with XBB-6 and beta-49 Fabs
Descriptor: Beta-49 heavy chain, Beta-49 light chain, Spike protein S1, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2023-10-06
Release date:2024-05-08
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity.
Cell Rep Med, 5, 2024
8QRG
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BU of 8qrg by Molmil
SARS-CoV-2 delta RBD complexed with XBB-2 Fab and NbC1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, NbC1, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2023-10-07
Release date:2024-05-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity.
Cell Rep Med, 5, 2024
8QSQ
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BU of 8qsq by Molmil
Locally refined SARS-CoV-2 BA-2.86 Spike receptor binding domain (RBD) complexed with angiotensin converting enzyme 2 (ACE2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S2'
Authors:Ren, J, Stuart, D.I, Duyvesteyn, H.M.E.
Deposit date:2023-10-11
Release date:2024-05-08
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity.
Cell Rep Med, 5, 2024
8QTD
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BU of 8qtd by Molmil
Local refinement of SARS-CoV-2 BA.2.86 Spike and XBB-7 Fab
Descriptor: Spike glycoprotein,Fibritin, XBB-7 fab heavy chain, XBB-7 fab light chain
Authors:Ren, J, Duyvesteyn, H.M.E, Stuart, D.I.
Deposit date:2023-10-12
Release date:2024-05-08
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity.
Cell Rep Med, 5, 2024
8R80
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BU of 8r80 by Molmil
SARS-CoV-2 Delta RBD in complex with XBB-9 Fab and an anti-Fab nanobody
Descriptor: Spike protein S1, XBB-9 Fab heavy chain, XBB-9 Fab light chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2023-11-27
Release date:2024-05-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (4.03 Å)
Cite:A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity.
Cell Rep Med, 5, 2024
8R8K
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BU of 8r8k by Molmil
XBB-4 Fab in complex with SARS-CoV-2 BA.2.12.1 Spike Glycoprotein
Descriptor: Spike glycoprotein,Fibritin, XBB-4 Fab Heavy chain, XBB-4 Fab Light chain
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
Deposit date:2023-11-29
Release date:2024-05-08
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity.
Cell Rep Med, 5, 2024
8YSA
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BU of 8ysa by Molmil
The co-crystal structure of SARS-CoV-2 Mpro in complex with compound H102
Descriptor: 3C-like proteinase nsp5, BOC-TBG-PHE-ELL
Authors:Zheng, W.Y, Fu, L.F, Feng, Y, Han, P, Qi, J.X.
Deposit date:2024-03-22
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery, Biological Activity, and Structural Mechanism of a Potent Inhibitor of SARS-CoV-2 Main Protease
To Be Published
8OYU
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BU of 8oyu by Molmil
Stabilised BA.1 SARS-CoV-2 spike with H6 nanobodies in '2 up 1 down' RBD 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, H6 nanobody, ...
Authors:Weckener, M, Naismith, J.H, Owens, R.J.
Deposit date:2023-05-05
Release date:2024-05-15
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024
8RBU
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BU of 8rbu by Molmil
Crystal structure of HLA-A*11:01 in complex with SVLNDILARL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984)
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ...
Authors:Ahn, Y.M, Maddumage, J.C, Szeto, C, Gras, S.
Deposit date:2023-12-05
Release date:2024-05-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific.
Curr Res Struct Biol, 7, 2024
8RBV
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BU of 8rbv by Molmil
SARS-CoV-2 Spike-derived peptide S976-984 S982A mutant (VLNDILARL) presented by HLA-A*02:01
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ...
Authors:Ahn, Y.M, Maddumage, J.C, Szeto, C, Gras, S.
Deposit date:2023-12-05
Release date:2024-05-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific.
Curr Res Struct Biol, 7, 2024
8RCV
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BU of 8rcv by Molmil
Crystal structure of HLA B*13:01 in complex with SVLNDIFSRL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984)
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen B alpha chain, ...
Authors:Ahn, Y.M, Maddumage, J.C, Szeto, C, Gras, S.
Deposit date:2023-12-07
Release date:2024-05-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific.
Curr Res Struct Biol, 7, 2024
8REF
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BU of 8ref by Molmil
Crystal structure of HLA B*13:01 in complex with SVLNDILARL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984)
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
Authors:Ahn, Y.M, Maddumage, J.C, Szeto, C, Gras, S.
Deposit date:2023-12-11
Release date:2024-05-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific.
Curr Res Struct Biol, 7, 2024
8RH6
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BU of 8rh6 by Molmil
Crystal structure of HLA-A*11:01 in complex with SVLNDILSRL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984)
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
Authors:Ahn, Y.M, Maddumage, J.C, Szeto, C, Gras, S.
Deposit date:2023-12-15
Release date:2024-05-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific.
Curr Res Struct Biol, 7, 2024
8RHQ
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BU of 8rhq by Molmil
Crystal structure of HLA-A*11:01 in complex with SVLNDIFSRL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984)
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ...
Authors:Ahn, Y.M, Maddumage, J.C, Szeto, C, Gras, S.
Deposit date:2023-12-16
Release date:2024-05-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific.
Curr Res Struct Biol, 7, 2024
8SUO
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BU of 8suo by Molmil
BA.2/AZD1061/AZD3152 structure analysis
Descriptor: AZD1061 heavy chain, AZD1061 light chain, AZD3152 heavy chain, ...
Authors:Oganesyan, V, van Dyk, N, Dippel, A, Barnes, A, O'Connor, E.
Deposit date:2023-05-12
Release date:2024-05-15
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:AZD3152 neutralizes SARS-CoV-2 historical and contemporary variants and is protective in hamsters and well tolerated in adults.
Sci Transl Med, 16, 2024
8ZBY
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BU of 8zby by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (x2-4P) in complex with 3 D1F6 Fabs (0 RBD up)
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 D1F6 Fab, ...
Authors:Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
Deposit date:2024-04-28
Release date:2024-05-15
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024

238582

数据于2025-07-09公开中

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