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COVID-19特輯

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冠狀病毒
冠狀病毒,2020. 由David S. Goodsell @ RCSB PDB原圖修改

最近爆發的新型冠狀病毒傳染病(Novel Coronavirus disease 2019: COVID-19)對全世界的人們都構成了嚴重威脅。 為了儘早了解新病毒(Severe Acute Respiratory Syndrome Coronavirus 2: SARS-CoV-2)以開發出有效的抗病毒藥物,已經有很多科研人員開始了相關蛋白結構的研究,並且將所獲得結構數據存儲與PDB。 PDBj為用戶提供了COVID-19相關數據一覽的門戶頁面,並將於每週三更新當日新發佈的相關數據。

有關該病毒蛋白質的解說,請參見下面的“當月的分子”頁面。

“所有結構”標籤的頁面則逐一羅列了所有的數據,包括由同一研究組提交的系列數據群。 “代表性結構”標籤的頁面精選具有相同胺基酸序列的結構數據中的高分辨率數據,不重複選擇具有同一胺基酸序列的數據,即使該數據可能包含不同的配體。 “最新條目”標籤內包含本週新更新數據。


Created: 2020-09-03 (last edited: more than 1 year ago)2022-09-02
9IQP
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Crystal structure of the Wuhan SARS-CoV-2 Spike RBD (319-541) complexed with 1p1B10 nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody 1p1B10, SODIUM ION, ...
Authors:Sluchanko, N.N, Matyuta, I.O, Dronova, E.A, Favorskaya, I.A, Esmagambetov, I.B, Shcheblyakov, D.V, Logunov, D.Y, Gintsburg, A.L, Popov, V.O, Boyko, K.M.
Deposit date:2024-07-13
Release date:2025-07-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Ultra-potent RBM-specific single-domain antibody broadly neutralizes multiple SARS-CoV-2 variants with picomolar activity.
Int.J.Biol.Macromol., 319, 2025
9PFH
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BU of 9pfh by Molmil
Crystal structure of SARS-CoV-2 Mpro Mutant P132H with C5a
Descriptor: 3C-like proteinase nsp5, N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(5-hydroxyisoquinolin-4-yl)acetamide
Authors:Kenward, C, Mosimann, W.A, Worrall, L.J, Strynadka, N.C.J.
Deposit date:2025-07-04
Release date:2025-07-16
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Functional and structural characterization of treatment-emergent nirmatrelvir resistance mutations at low frequencies in the main protease (Mpro) reveals a unique evolutionary route for SARS-CoV-2 to gain resistance.
J Infect Dis, 2025
9PFI
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BU of 9pfi by Molmil
Crystal structure of SARS-CoV-2 Mpro Mutant P132H
Descriptor: 3C-like proteinase nsp5
Authors:Kenward, C, Mosimann, W.A, Worrall, L.J, Strynadka, N.C.J.
Deposit date:2025-07-04
Release date:2025-07-16
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Functional and structural characterization of treatment-emergent nirmatrelvir resistance mutations at low frequencies in the main protease (Mpro) reveals a unique evolutionary route for SARS-CoV-2 to gain resistance.
J Infect Dis, 2025
9UXD
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BU of 9uxd by Molmil
SARS-CoV2 Spike protein with Fab fragment antibody KXD355,state1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody KXD355, ...
Authors:Wang, H.
Deposit date:2025-05-13
Release date:2025-07-16
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:A rare B cell clonotype imprinted by ancestral SARS-CoV-2 develops cross-sarbecovirus neutralization in immune recalls.
Cell Rep, 44, 2025
9UXE
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BU of 9uxe by Molmil
SARS-CoV2 Spike protein with Fab fragment antibody KXD355,state2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody KXD355, ...
Authors:Wang, H.
Deposit date:2025-05-13
Release date:2025-07-16
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:A rare B cell clonotype imprinted by ancestral SARS-CoV-2 develops cross-sarbecovirus neutralization in immune recalls.
Cell Rep, 44, 2025
9VCK
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BU of 9vck by Molmil
Cryo-EM structure of SARS-CoV-2 nsp10/nsp14:RNA:SMP complex
Descriptor: CALCIUM ION, Guanine-N7 methyltransferase nsp14, Non-structural protein 10, ...
Authors:Wang, J, Lou, Z, Liu, D.
Deposit date:2025-06-06
Release date:2025-07-16
Method:ELECTRON MICROSCOPY (4.22 Å)
Cite:Structural Basis and Rational Design of Nucleotide Analogue Inhibitor Evading the SARS-CoV-2 Proofreading Enzyme.
J.Am.Chem.Soc., 147, 2025
9VCL
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BU of 9vcl by Molmil
Cryo-EM structure of SARS-CoV-2 nsp10/nsp14:RNA:ATMP complex
Descriptor: CALCIUM ION, Guanine-N7 methyltransferase nsp14, Non-structural protein 10, ...
Authors:Wang, J, Lou, Z, Liu, D.
Deposit date:2025-06-06
Release date:2025-07-16
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Structural Basis and Rational Design of Nucleotide Analogue Inhibitor Evading the SARS-CoV-2 Proofreading Enzyme.
J.Am.Chem.Soc., 147, 2025
9CB0
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BU of 9cb0 by Molmil
SARS-CoV-2 S protein - Accum modified
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-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Caveney, N.A.
Deposit date:2024-06-18
Release date:2025-07-23
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:SARS-CoV-2 S protein - Accum modified
To Be Published
9H6U
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BU of 9h6u by Molmil
SARS-CoV-2 S protein in complex with pT1679 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin, pT1679 Fab heavy chain, ...
Authors:Hansen, G, Benecke, T, Vollmer, B, Gruenewald, K, Krey, T.
Deposit date:2024-10-25
Release date:2025-07-23
Last modified:2025-09-24
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:A critical residue in a conserved RBD epitope determines neutralization breadth of pan-sarbecovirus antibodies with recurring YYDRxxG motifs.
Mbio, 16, 2025
9I53
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BU of 9i53 by Molmil
Crystal structure of the SARS-CoV-2 helicase NSP13 in complex with ATP
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, ...
Authors:Kloskowski, P, Neumann, P, Ficner, R.
Deposit date:2025-01-27
Release date:2025-07-23
Last modified:2025-08-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Nucleotide-bound crystal structures of the SARS-CoV-2 helicase NSP13.
Acta Crystallogr.,Sect.F, 81, 2025
9MVM
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BU of 9mvm by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro)in Complex with Inhibitor AVI-3318
Descriptor: 1-[(4-chlorothiophen-2-yl)methyl]-3-[(2-oxo-1,2-dihydropyridin-3-yl)methyl]-1,3-diazinane-2,4-dione, Replicase polyprotein 1ab
Authors:Diallo, A, Gumpena, R, Verba, K.
Deposit date:2025-01-15
Release date:2025-07-23
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structure-based discovery of highly bioavailable, covalent, broad-spectrum coronavirus M Pro inhibitors with potent in vivo efficacy.
Sci Adv, 11, 2025
9MVO
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BU of 9mvo by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) in Complex with Inhibitor AVI-4692
Descriptor: (3M,5P,6M)-5-(1H-1,2,3-benzotriazol-1-yl)-6-(3-chlorophenyl)-3-(isoquinolin-4-yl)-1-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione, (3M,5P,6M)-5-(1H-1,2,3-benzotriazol-1-yl)-6-(3-chlorophenyl)-3-(isoquinolin-4-yl)-1-(prop-2-yn-1-yl)pyrimidine-2,4(1H,3H)-dione, 3C-like proteinase nsp5
Authors:Diallo, A, Gumpena, R, Verba, K.
Deposit date:2025-01-15
Release date:2025-07-23
Last modified:2025-08-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structure-based discovery of highly bioavailable, covalent, broad-spectrum coronavirus M Pro inhibitors with potent in vivo efficacy.
Sci Adv, 11, 2025
9MVP
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BU of 9mvp by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro)in Complex with Inhibitor AVI-4516
Descriptor: (3M,5P)-5-(1H-1,2,3-benzotriazol-1-yl)-3-(isoquinolin-4-yl)-6-methyl-1-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione, 1,2-ETHANEDIOL, 3C-like proteinase nsp5
Authors:Diallo, A, Gumpena, R, Verba, K.
Deposit date:2025-01-15
Release date:2025-07-23
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-based discovery of highly bioavailable, covalent, broad-spectrum coronavirus M Pro inhibitors with potent in vivo efficacy.
Sci Adv, 11, 2025
9MVQ
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BU of 9mvq by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) variant Q192T in Complex with Inhibitor AVI-4303
Descriptor: (3M,5P,6M)-5-(1H-1,2,3-benzotriazol-1-yl)-6-(3-chlorophenyl)-3-(isoquinolin-4-yl)pyrimidine-2,4(1H,3H)-dione, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
Authors:Diallo, A, Gumpena, R, Partridge, J, Verba, K.
Deposit date:2025-01-15
Release date:2025-07-23
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structure-based discovery of highly bioavailable, covalent, broad-spectrum coronavirus M Pro inhibitors with potent in vivo efficacy.
Sci Adv, 11, 2025
9E21
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BU of 9e21 by Molmil
CryoEM structure of a broadly neutralizing anti-SARS-CoV-2 antibody 52
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 52 Fab Heavy chain, 52 Fab light chain, ...
Authors:Jaiswal, D, Bajic, G.
Deposit date:2024-10-21
Release date:2025-07-30
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:CryoEM structure of a broadly neutralizing anti-SARS-CoV-2 antibody 52
To Be Published
9I51
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BU of 9i51 by Molmil
Crystal structure of the SARS-CoV-2 helicase NSP13 in complex with ADP
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, ...
Authors:Kloskowski, P, Neumann, P, Ficner, R.
Deposit date:2025-01-27
Release date:2025-07-30
Last modified:2025-08-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Nucleotide-bound crystal structures of the SARS-CoV-2 helicase NSP13.
Acta Crystallogr.,Sect.F, 81, 2025
9N6J
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BU of 9n6j by Molmil
Room Temperature X-Ray Structure of SARS-CoV-2 Main Protease Mutant D48Y, P168 Deletion
Descriptor: 3C-like proteinase nsp5
Authors:Bhandari, D, Kovalevsky, A.
Deposit date:2025-02-05
Release date:2025-07-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Characterization of an unusual SARS-CoV-2 main protease natural variant exhibiting resistance to nirmatrelvir and ensitrelvir.
Commun Biol, 8, 2025
9N6L
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BU of 9n6l by Molmil
Room Temperature X-Ray Structure of SARS-CoV-2 Main Protease Mutant D48Y, P168 Deletion in Complex with GC373
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5
Authors:Bhandari, D, Kovalevsky, A.
Deposit date:2025-02-05
Release date:2025-07-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Characterization of an unusual SARS-CoV-2 main protease natural variant exhibiting resistance to nirmatrelvir and ensitrelvir.
Commun Biol, 8, 2025
9N6M
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BU of 9n6m by Molmil
Room Temperature X-Ray Structure of SARS-CoV-2 Main Protease Mutant D48Y, P168 Deletion in Complex with 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
Authors:Bhandari, D, Kovalevsky, A.
Deposit date:2025-02-05
Release date:2025-07-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of an unusual SARS-CoV-2 main protease natural variant exhibiting resistance to nirmatrelvir and ensitrelvir.
Commun Biol, 8, 2025
9N6N
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BU of 9n6n by Molmil
Room Temperature X-Ray Structure of SARS-CoV-2 Main Protease Mutant D48Y, P168 Deletion in Complex with Pomotrelvir
Descriptor: 3C-like proteinase nsp5, Pomotrelvir bound form, SODIUM ION
Authors:Bhandari, D, Kovalevsky, A.
Deposit date:2025-02-05
Release date:2025-07-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Characterization of an unusual SARS-CoV-2 main protease natural variant exhibiting resistance to nirmatrelvir and ensitrelvir.
Commun Biol, 8, 2025
9N6P
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BU of 9n6p by Molmil
Room Temperature X-Ray Structure of SARS-CoV-2 Main Protease Mutant D48Y, P168 Deletion in Complex with Ensitrelvir
Descriptor: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, SODIUM ION
Authors:Bhandari, D, Kovalevsky, A.
Deposit date:2025-02-05
Release date:2025-07-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterization of an unusual SARS-CoV-2 main protease natural variant exhibiting resistance to nirmatrelvir and ensitrelvir.
Commun Biol, 8, 2025
9N6R
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BU of 9n6r by Molmil
Room Temperature X-Ray Structure of SARS-CoV-2 Main Protease in Complex with Ensitrelvir
Descriptor: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, SODIUM ION
Authors:Bhandari, D, Kovalevsky, A.
Deposit date:2025-02-05
Release date:2025-07-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Characterization of an unusual SARS-CoV-2 main protease natural variant exhibiting resistance to nirmatrelvir and ensitrelvir.
Commun Biol, 8, 2025
9NSK
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BU of 9nsk by Molmil
Room-temperature X-ray structure of SARS-CoV-2 main protease in complex with inhibitor BBH-3
Descriptor: 3C-like proteinase nsp5, N-(tert-butylcarbamoyl)-3-methyl-L-valyl-3,4-dichloro-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide
Authors:Bhandari, D, Coates, L, Kovalevsky, A.
Deposit date:2025-03-17
Release date:2025-07-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Influence of Steric and Electronic Properties of P2 Groups on Covalent Inhibitor Binding to SARS-CoV-2 Main Protease.
Acs Infect Dis., 11, 2025
9NSL
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BU of 9nsl by Molmil
Room-temperature X-ray structure of SARS-CoV-2 main protease in complex with with inhibitor BBH-4
Descriptor: 3C-like proteinase nsp5, N-[(1S)-1-[(3R,5R,7R)-adamantan-1-yl]-2-({(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-2-oxoethyl]-N~2~-(tert-butylcarbamoyl)-3-methyl-L-valinamide
Authors:Bhandari, D, Coates, L, Kovalevsky, A.
Deposit date:2025-03-17
Release date:2025-07-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Influence of Steric and Electronic Properties of P2 Groups on Covalent Inhibitor Binding to SARS-CoV-2 Main Protease.
Acs Infect Dis., 11, 2025
9VWY
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BU of 9vwy by Molmil
Crystal structure of C270S mutant of Papain-like protease (PLpro) from SARS-CoV-2
Descriptor: CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ...
Authors:Arya, R, Ganesh, J, Prashar, V, Kumar, M.
Deposit date:2025-07-17
Release date:2025-07-30
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal structure of C270S mutant of Papain-like protease (PLpro) from SARS-CoV-2
To Be Published

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數據於2025-10-22公開中

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