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PDB: 6 件

9DO1
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BU of 9do1 by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun13307
分子名称: 2-methyl-N-{(1R)-1-[(2M)-2-(1-methyl-1H-pyrazol-4-yl)quinolin-4-yl]ethyl}-5-{[(2R)-1-methylpyrrolidin-2-yl]methoxy}benzamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Ansari, A, Jadhav, P, Arnold, E, Ruiz, F.X, Wang, J.
登録日2024-09-18
公開日2025-01-22
最終更新日2025-02-26
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design of quinoline SARS-CoV-2 papain-like protease inhibitors as oral antiviral drug candidates.
Nat Commun, 16, 2025
9DO3
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BU of 9do3 by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun13317
分子名称: 1,2-ETHANEDIOL, 5-[(3S)-3,4-dimethylpiperazin-1-yl]-2-methyl-N-{(1R)-1-[(2M)-2-(1-methyl-1H-pyrazol-4-yl)quinolin-4-yl]ethyl}benzamide, ACETATE ION, ...
著者Ansari, A, Jadhav, P, Arnold, E, Ruiz, F.X, Wang, J.
登録日2024-09-18
公開日2025-01-22
最終更新日2025-02-26
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design of quinoline SARS-CoV-2 papain-like protease inhibitors as oral antiviral drug candidates.
Nat Commun, 16, 2025
9DNU
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BU of 9dnu by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun13296
分子名称: 1,2-ETHANEDIOL, 2-methyl-5-[(1R,5S)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-N-{(1R)-1-[(2P)-2-(1-methyl-1H-pyrazol-4-yl)quinolin-4-yl]ethyl}benzamide, ACETATE ION, ...
著者Ansari, A, Jadhav, P, Arnold, E, Ruiz, F.X, Wang, J.
登録日2024-09-18
公開日2025-01-22
最終更新日2025-02-26
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design of quinoline SARS-CoV-2 papain-like protease inhibitors as oral antiviral drug candidates.
Nat Commun, 16, 2025
9DOI
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BU of 9doi by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun13306
分子名称: 2-methyl-N-{(1S)-1-[(2P)-2-(1-methyl-1H-pyrazol-4-yl)quinolin-4-yl]ethyl}-5-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}benzamide, ACETATE ION, CHLORIDE ION, ...
著者Ansari, A, Jadhav, P, Arnold, E, Ruiz, F.X, Wang, J.
登録日2024-09-19
公開日2025-01-22
最終更新日2025-02-26
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design of quinoline SARS-CoV-2 papain-like protease inhibitors as oral antiviral drug candidates.
Nat Commun, 16, 2025
9DNV
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BU of 9dnv by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun13308
分子名称: 2-methyl-5-[(1R,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-{(1R)-1-[(2P)-2-(1-methyl-1H-pyrazol-4-yl)quinolin-4-yl]ethyl}benzamide, ACETIC ACID, CHLORIDE ION, ...
著者Ansari, A, Jadhav, P, Arnold, E, Ruiz, F.X, Wang, J.
登録日2024-09-18
公開日2025-01-22
最終更新日2025-02-26
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design of quinoline SARS-CoV-2 papain-like protease inhibitors as oral antiviral drug candidates.
Nat Commun, 16, 2025
9DO5
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BU of 9do5 by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12665
分子名称: 5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(2P)-2-{1-[2-(dimethylamino)-2-oxoethyl]-1H-pyrazol-4-yl}quinolin-4-yl]ethyl}-2-methylbenzamide, ACETATE ION, CHLORIDE ION, ...
著者Ansari, A, Jadhav, P, Arnold, E, Ruiz, F.X, Wang, J.
登録日2024-09-18
公開日2025-01-22
最終更新日2025-02-26
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Design of quinoline SARS-CoV-2 papain-like protease inhibitors as oral antiviral drug candidates.
Nat Commun, 16, 2025

238582

件を2025-07-09に公開中

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