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新型コロナウイルスの構造情報

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コロナウイルス
コロナウイルス, 2020. David S. Goodsell@RCSB PDB による原画を修正

最近、新型コロナウイルス感染症(Novel Coronavirus disease 2019: COVID-19)の拡大が世界中で深刻な問題となっています。早急にこの新型ウイルス(Severe Acute Respiratory Syndrome Coronavirus 2: SARS-CoV-2)を理解し有効な薬を開発するため,関連するタンパク質の構造研究は既に始まっています。そして,解明された構造はPDBに登録されていっています。PDBjでは利用者の利便を図るため,新型コロナウイルス特集ページを作成しました。新たなエントリーが毎週水曜日の週次更新で公開されると、同時にこのページにも追加されます。

またこのウイルスのタンパク質に関する解説記事を以下の「今月の分子」ページに掲載しています。

「全エントリー」のタブでは,同じ著者によるグループ登録のエントリーも全て区別し,すべてのPDB IDを省略せず表示しています。 「代表構造」タブには最も分解能の高い代表構造のみを表示しており,アミノ酸配列が100%同じPDBエントリーはリガンドが異なるものも含め除外してあります。 「最新のエントリー」のタブは,今週公開された最も新しいエントリーです。


作成日: 2020-09-03 (最終更新日: more than 1 year ago)2022-09-02
8FU8
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Structure of Covid Spike variant deltaN135 with one erect RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Yu, X, Juraszek, J, Rutten, L, Bakkers, M.J.G, Blokland, S, Van den Broek, N.J.F, Verwilligen, A.Y.W, Abeywickrema, P, Vingerhoets, J, Neefs, J, Bakhash, S.A.M, Roychoudhury, P, Greninger, A, Sharma, S, Langedijk, J.P.M.
登録日2023-01-16
公開日2023-04-05
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Convergence of immune escape strategies highlights plasticity of SARS-CoV-2 spike.
Plos Pathog., 19, 2023
8FU9
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BU of 8fu9 by Molmil
Structure of Covid Spike variant deltaN25 with one erect RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Yu, X, Juraszek, J, Rutten, L, Bakkers, M.J.G, Blokland, S, Van den Broek, N.J.F, Verwilligen, A.Y.W, Abeywickrema, P, Vingerhoets, J, Neefs, J, Bakhash, S.A.M, Roychoudhury, P, Greninger, A, Sharma, S, Langedijk, J.P.M.
登録日2023-01-16
公開日2023-04-05
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Convergence of immune escape strategies highlights plasticity of SARS-CoV-2 spike.
Plos Pathog., 19, 2023
8GJM
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BU of 8gjm by Molmil
17b10 fab in complex with full-length SARS-CoV-2 Spike G614 trimer
分子名称: 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, ...
著者Kwon, H.J, Zhang, J, Kosikova, M, Tang, W.C, Rodriguez, U.O, Peng, H.Q, Meseda, C.A, Pedro, C.L, Schmeisser, F, Lu, J.M, Zhou, B, Davis, C.T, Wentworth, D.E, Chen, W.H, Shriver, M.C, Pasetti, M.F, Weir, J.P, Chen, B, Xie, H.
登録日2023-03-16
公開日2023-04-05
最終更新日2023-04-19
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Distinct in vitro and in vivo neutralization profiles of monoclonal antibodies elicited by the receptor binding domain of the ancestral SARS-CoV-2.
J Med Virol, 95, 2023
8GJN
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BU of 8gjn by Molmil
17B10 fab in complex with up-RBD of SARS-CoV-2 Spike G614 trimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 17B10 Fab, Light chain of 17B10 Fab, ...
著者Kwon, H.J, Zhang, J, Kosikova, M, Tang, W.C, Rodriguez, U.O, Peng, H.Q, Meseda, C.A, Pedro, C.L, Schmeisser, F, Lu, J.M, Zhou, B, Davis, C.T, Wentworth, D.E, Chen, W.H, Shriver, M.C, Pasetti, M.F, Weir, J.P, Chen, B, Xie, H.
登録日2023-03-16
公開日2023-04-05
最終更新日2023-04-19
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Distinct in vitro and in vivo neutralization profiles of monoclonal antibodies elicited by the receptor binding domain of the ancestral SARS-CoV-2.
J Med Virol, 95, 2023
8IGN
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BU of 8ign by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with RAY1216
分子名称: (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5
著者Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X.
登録日2023-02-21
公開日2023-04-05
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
8IGO
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BU of 8igo by Molmil
Crystal structure of apo SARS-CoV-2 main protease
分子名称: 3C-like proteinase nsp5
著者Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X.
登録日2023-02-21
公開日2023-04-05
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
7SH7
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BU of 7sh7 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI87
分子名称: 3C-like proteinase nsp5, benzyl [(2S,3R)-3-tert-butoxy-1-{[(2S)-3-cyclohexyl-1-oxo-1-(2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-2-propanoylhydrazinyl)propan-2-yl]amino}-1-oxobutan-2-yl]carbamate (non-preferred name)
著者Blankenship, L.R, Yang, K.S, Liu, W.R.
登録日2021-10-08
公開日2023-04-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An Azapeptide Platform in Conjunction with Covalent Warheads to Uncover High-Potency Inhibitors for SARS-CoV-2 Main Protease.
Biorxiv, 2023
7SH8
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BU of 7sh8 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI88
分子名称: 3C-like proteinase nsp5, benzyl [(2S,3R)-1-{[(2S)-1-(2-acetyl-2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}hydrazinyl)-3-cyclohexyl-1-oxopropan-2-yl]amino}-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name)
著者Yang, K.S, Liu, W.R.
登録日2021-10-08
公開日2023-04-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the SARS-CoV-2 main protease in complex with inhibitors
To Be Published
7SH9
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BU of 7sh9 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI86
分子名称: 3C-like proteinase nsp5, benzyl [(2S,3R)-1-({(2S)-1-[2-acetyl-2-(3-amino-3-oxopropyl)hydrazinyl]-3-cyclohexyl-1-oxopropan-2-yl}amino)-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name)
著者Yang, K.S, Liu, W.R.
登録日2021-10-08
公開日2023-04-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of the SARS-CoV-2 main protease in complex with inhibitors
To Be Published
8FEZ
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BU of 8fez by Molmil
Prefusion-stabilized SARS-CoV-2 spike protein
分子名称: Spike glycoprotein
著者Gonzalez, K.J, Mousa, J.J, Strauch, E.M.
登録日2022-12-07
公開日2023-04-12
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献A general computational design strategy for stabilizing viral class I fusion proteins.
Biorxiv, 2023
8GZZ
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BU of 8gzz by Molmil
Local refinement of SARS-CoV-2 Omicron BA.1 Spike glycoprotein in complex with rabbit monoclonal antibody 1H1 Fab
分子名称: Spike protein S1, rabbit monoclonal antibody 1H1 Fab heavy chain, rabbit monoclonal antibody 1H1 Fab light chain
著者Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
登録日2022-09-27
公開日2023-04-12
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Mechanism of a rabbit monoclonal antibody broadly neutralizing SARS-CoV-2 variants.
Commun Biol, 6, 2023
8H00
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BU of 8h00 by Molmil
SARS-CoV-2 Omicron BA.1 Spike glycoprotein in complex with rabbit monoclonal antibody 1H1 Fab in the class 1 conformation
分子名称: 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, ...
著者Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
登録日2022-09-27
公開日2023-04-12
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Mechanism of a rabbit monoclonal antibody broadly neutralizing SARS-CoV-2 variants.
Commun Biol, 6, 2023
8H01
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BU of 8h01 by Molmil
SARS-CoV-2 Omicron BA.1 Spike glycoprotein in complex with rabbit monoclonal antibody 1H1 Fab in class 2 conformation
分子名称: 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, ...
著者Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
登録日2022-09-27
公開日2023-04-12
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Mechanism of a rabbit monoclonal antibody broadly neutralizing SARS-CoV-2 variants.
Commun Biol, 6, 2023
8ITU
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BU of 8itu by Molmil
SARS-CoV-2 Omicron BA.1 Spike glycoprotein in complex with rabbit monoclonal antibody 1H1 IgG.
分子名称: 1H1 heavy chain, 1H1 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
登録日2023-03-23
公開日2023-04-12
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献Mechanism of a rabbit monoclonal antibody broadly neutralizing SARS-CoV-2 variants.
Commun Biol, 6, 2023
7WN2
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BU of 7wn2 by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain (RBD) in complex with NCV2SG53 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab Heavy chain, Fab Light chain, ...
著者Yamamoto, A, Higashiura, A.
登録日2022-01-17
公開日2023-04-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural basis of spike RBM-specific human antibodies counteracting broad SARS-CoV-2 variants.
Commun Biol, 6, 2023
7WNB
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BU of 7wnb by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain (RBD) in complex with NCV2SG48 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab Heavy chain, Fab Light chain, ...
著者Yamamoto, A, Higashiura, A.
登録日2022-01-18
公開日2023-04-19
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structural basis of spike RBM-specific human antibodies counteracting broad SARS-CoV-2 variants.
Commun Biol, 6, 2023
7XJ6
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BU of 7xj6 by Molmil
SARS-CoV-2 BA.1 Spike trimer in complex with 55A8 Fab and 58G6 Fab in the class 1 conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 55A8 heavy chain, ...
著者Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
登録日2022-04-15
公開日2023-04-19
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献SARS-CoV-2 BA.1 Spike trimer in complex with 55A8 Fab and 58G6 Fab in the class 1 conformation
To Be Published
7XJ8
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BU of 7xj8 by Molmil
SARS-CoV-2 BA.1 Spike trimer in complex with 55A8 Fab and 58G6 Fab in the class 2 conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 55A8 heavy chain, ...
著者Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
登録日2022-04-15
公開日2023-04-19
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献SARS-CoV-2 BA.1 Spike trimer in complex with 55A8 Fab and 58G6 Fab in the class 2 conformation
To Be Published
7XJ9
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BU of 7xj9 by Molmil
Local refinement of the SARS-CoV-2 BA.1 Spike trimer in complex with 55A8 Fab and 58G6 Fab
分子名称: 55A8 heavy chain, 55A8 light chain, 58G6 heavy chain, ...
著者Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
登録日2022-04-15
公開日2023-04-19
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Local refinement of the SARS-CoV-2 BA.1 Spike trimer in complex with 55A8 Fab and 58G6 Fab
To Be Published
7YOW
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BU of 7yow by Molmil
Crystal structure of SARS-CoV-2 omicron variant spike receptor-binding domain (RBD) in complex with NCV2SG48 Fab
分子名称: Fab Heavy chain, Fab Light chain, SULFATE ION, ...
著者Yamamoto, A, Higashiura, A.
登録日2022-08-02
公開日2023-04-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural basis of spike RBM-specific human antibodies counteracting broad SARS-CoV-2 variants.
Commun Biol, 6, 2023
7ZJL
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BU of 7zjl by Molmil
Delta SARS-CoV-2 spike protein in complex with REGN10987 Fab homologue.
分子名称: REGN10987 Fab homologue (Heavy chain), REGN10987 Fab homologue (Light chain), Spike glycoprotein
著者Pichkur, E.B, Lyukmanova, E.N, Shenkarev, Z.O.
登録日2022-04-11
公開日2023-04-19
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Delta SARS-CoV-2 spike protein in complex with REGN10987 Fab homologue.
To Be Published
8C1V
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BU of 8c1v by Molmil
SARS-CoV-2 S-trimer (3 RBDs up) bound to TriSb92, fitted into cryo-EM map
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sb92, ...
著者Huiskonen, J.T, Rissanen, I, Hannula, L.
登録日2022-12-21
公開日2023-04-19
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Intranasal trimeric sherpabody inhibits SARS-CoV-2 including recent immunoevasive Omicron subvariants.
Nat Commun, 14, 2023
8HEF
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BU of 8hef by Molmil
The Crystal structure of deuterated S-217622 (Ensitrelvir) bound to the main protease (3CLpro/Mpro) of SARS-CoV-2
分子名称: 3C-like proteinase, 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, GLYCEROL
著者Yan, M, Zhang, H.
登録日2022-11-08
公開日2023-04-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Synthesis of deuterated S-217622 (Ensitrelvir) with antiviral activity against coronaviruses including SARS-CoV-2.
Antiviral Res., 213, 2023
8I5H
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BU of 8i5h by Molmil
Crystal structure of SARS-CoV-2 delta variant spike receptor-binding domain (RBD) in complex with NCV2SG48 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab Heavy chain, Fab Light chain, ...
著者Yamamoto, A, Higashiura, A.
登録日2023-01-25
公開日2023-04-19
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structural basis of spike RBM-specific human antibodies counteracting broad SARS-CoV-2 variants.
Commun Biol, 6, 2023
8I5I
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BU of 8i5i by Molmil
Crystal structure of SARS-CoV-2 delta variant spike receptor-binding domain (RBD) in complex with NCV2SG53 Fab
分子名称: Fab Heavy chain, Fab Light chain, Spike protein S1
著者Yamamoto, A, Higashiura, A.
登録日2023-01-25
公開日2023-04-19
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Structural basis of spike RBM-specific human antibodies counteracting broad SARS-CoV-2 variants.
Commun Biol, 6, 2023

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