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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
7HEA
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BU of 7hea by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003666
分子名称: (1R)-1-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol, 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 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
7HEB
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BU of 7heb by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003667
分子名称: (3R)-2-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol, Non-structural protein 3, trifluoroacetic acid
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
7HEC
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BU of 7hec by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003669
分子名称: (2S,3R)-3-phenyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-1-ol, Non-structural protein 3, trifluoroacetic acid
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
7HED
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BU of 7hed by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003670
分子名称: CHLORIDE ION, Non-structural protein 3, trifluoroacetic acid, ...
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
7HEE
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BU of 7hee by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003671
分子名称: (2S)-3-(dimethylamino)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, 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 (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
7HEF
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BU of 7hef by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003673
分子名称: (2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-(1,3-thiazol-2-yl)propan-1-ol, 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 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
7HEG
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BU of 7heg by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003674
分子名称: (2R)-3-(2-methylphenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, Non-structural protein 3, trifluoroacetic acid
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
7HEH
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BU of 7heh by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003675
分子名称: (2R)-3-(3-methylphenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, 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 (0.98 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
7HEI
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BU of 7hei by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003677
分子名称: (2S)-3-(piperidin-1-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, 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 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
7HEJ
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BU of 7hej by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003679
分子名称: (2S)-2-[(3R)-oxolan-3-yl]-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol, 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 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
7HEK
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BU of 7hek by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003681
分子名称: Non-structural protein 3, [(1s,4s)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-azabicyclo[2.1.1]hexan-1-yl]methanol, trifluoroacetic acid
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
7HEL
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BU of 7hel by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003683
分子名称: (2R)-3-(4-methylphenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, (2S)-3-(4-methylphenyl)-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 (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
7HEM
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BU of 7hem by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003684
分子名称: (2R)-3-(3,4-dimethylphenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, (2S)-3-(3,4-dimethylphenyl)-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
7HEN
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BU of 7hen by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003685
分子名称: CHLORIDE ION, Non-structural protein 3, [(2S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
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
7HEO
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BU of 7heo by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003686
分子名称: (2R)-3-(4-iodophenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, (2S)-3-(4-iodophenyl)-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 (1.02 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
7HEP
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BU of 7hep by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003688
分子名称: CHLORIDE ION, Non-structural protein 3, trifluoroacetic acid, ...
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
7HEQ
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BU of 7heq by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003690
分子名称: (2R)-3-cyclohexyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-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 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
7HER
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BU of 7her by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003691
分子名称: (2S)-3-cyclopentyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, Non-structural protein 3, trifluoroacetic acid
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
7HES
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BU of 7hes by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003692
分子名称: Non-structural protein 3, trifluoroacetic acid, {1-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentyl}methanol
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
7HET
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BU of 7het by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003693
分子名称: (2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol, (2S)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-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 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
7HEU
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BU of 7heu by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003695
分子名称: 2-ethyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-1-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 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
7HEV
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BU of 7hev by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003696
分子名称: (2R)-3-(pyridin-2-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, (2S)-3-(pyridin-2-yl)-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 (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
7HEW
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BU of 7hew by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003697
分子名称: (2R)-2-methyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-1-ol, 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 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
7HEX
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BU of 7hex by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003733
分子名称: DIMETHYL SULFOXIDE, Non-structural protein 3, [(2S,5R)-5-(1,3-dimethyl-1H-pyrazol-4-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
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
7HEY
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BU of 7hey by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003635
分子名称: (2R,3S)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol, (2S,3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pentan-2-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 (1.02 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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