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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
9MRW
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BU of 9mrw by Molmil
Functional Implications of Hexameric Dynamics in SARS-CoV-2 Nsp15
分子名称: Uridylate-specific endoribonuclease nsp15
著者Ketawala, G.K, Sonowal, M, Schrag, L, Fromme, R, Botha, S, Fromme, P.
登録日2025-01-08
公開日2025-06-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Functional implications of hexameric dynamics in SARS-CoV-2 Nsp15.
Protein Sci., 34, 2025
9MRY
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BU of 9mry by Molmil
Functional Implications of HexamericDynamics in SARS-CoV-2 Nsp15
分子名称: Uridylate-specific endoribonuclease nsp15
著者Ketawala, G.K, Sonowal, M, Schrag, L, Fromme, R, Botha, S, Fromme, P.
登録日2025-01-09
公開日2025-06-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Functional implications of hexameric dynamics in SARS-CoV-2 Nsp15.
Protein Sci., 34, 2025
9NWA
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BU of 9nwa by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-277-5Cl
分子名称: (1R,2S,5S)-N-{(1S,2S)-1-(5-chloro-1,3-benzothiazol-2-yl)-1-hydroxy-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
著者Bulut, H, Kuwata, N, Hayashi, H, Aoki, H, Das, D, Li, M, Wlodawer, A, Misumi, S, Tamamura, H, Mitsuya, H.
登録日2025-03-21
公開日2025-06-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Impact of Single Halogen Atom Substitutions on Potency of Inhibitors Targeting SARS-CoV-2 Main Protease
To Be Published
9NWC
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Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-276-5Br
分子名称: (1R,2S,5S)-N-{(1S,2S)-1-(5-bromo-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-D-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Bulut, H, Kuwata, N, Hayashi, H, Aoki, H, Hattori, S, Li, M, Das, D, Misumi, S, Wlodawer, A, Tamamura, H, Mitsuya, H.
登録日2025-03-21
公開日2025-06-04
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Impact of Single Halogen Atom Substitutions on Potency of Inhibitors Targeting SARS-CoV-2 Main Protease
To Be Published
7HCB
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BU of 7hcb by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000286
分子名称: N-cyclopropyl-5-{[(1-phenyl-1H-tetrazol-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HCC
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000296
分子名称: 3-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-1,3-benzoxazol-2(3H)-one, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HCD
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BU of 7hcd by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000303
分子名称: (3R,6S)-6-methyl-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)piperidine-3-carboxylic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HCE
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000002
分子名称: 1-[(1R,6S,8R)-8lambda~4~-thia-7,9-diazatetracyclo[4.3.0.0~1,8~.0~6,8~]nona-2,4-diene-2-sulfonyl]-L-proline, DIMETHYL SULFOXIDE, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HCF
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BU of 7hcf by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000313
分子名称: (2R)-3-phenyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, (2S)-3-phenyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, CHLORIDE ION, ...
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HCG
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BU of 7hcg by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000316
分子名称: 3-[(2H-1,3-benzodioxole-5-carbonyl)amino]thiophene-2-carboxylic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HCH
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BU of 7hch by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000317
分子名称: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]benzoic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HCI
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BU of 7hci by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000321
分子名称: 7-benzyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CHLORIDE ION, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HCJ
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BU of 7hcj by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000328
分子名称: (2R)-2-methyl-3-[(2-oxo-1,2,3,4-tetrahydroquinoline-6-carbonyl)amino]propanoic acid, (2S)-2-methyl-3-[(2-oxo-1,2,3,4-tetrahydroquinoline-6-carbonyl)amino]propanoic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HCK
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BU of 7hck by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000329
分子名称: (2S)-6-methyl-N-[(4S)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-2-carboxamide, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HCL
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000341
分子名称: 2-[2-(6-methyl-4-oxothieno[2,3-d][1,2,3]triazin-3(4H)-yl)ethyl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HCM
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BU of 7hcm by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000348
分子名称: (3R,4R)-1-[2-(hydroxymethyl)-1-methyl-1H-1,3-benzimidazole-5-carbonyl]-4-methylpiperidine-3-carboxylic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HCN
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BU of 7hcn by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000288
分子名称: (2S)-(3-oxo-1,2-benzothiazol-2(3H)-yl)(phenyl)acetic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HCO
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BU of 7hco by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000291
分子名称: 4-fluoro-3-({[1-(propan-2-yl)-1H-tetrazol-5-yl]sulfanyl}methyl)-1-benzothiophene-2-carboxylic acid, DIMETHYL SULFOXIDE, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (0.87 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HCP
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BU of 7hcp by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000338
分子名称: (8R)-6-(7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carbonyl)-6-azaspiro[4.5]decane-8-carboxylic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HCQ
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BU of 7hcq by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000345
分子名称: 7-methyl-N-[6-(methylamino)pyridin-3-yl]-1-benzothiophene-2-sulfonamide, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HCR
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BU of 7hcr by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000611
分子名称: (3R)-3-hydroxy-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide, (3S)-3-hydroxy-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide, CHLORIDE ION, ...
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HCS
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BU of 7hcs by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000609
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Non-structural protein 3, ...
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HCT
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BU of 7hct by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000612
分子名称: (3R)-3-ethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HCU
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BU of 7hcu by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000616
分子名称: (3R,4R)-4-fluoro-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HCV
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BU of 7hcv by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000610
分子名称: (3R,5R)-5-(hydroxymethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025

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件を2025-07-09に公開中

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