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PDB: 53 件

7SFI
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BU of 7sfi by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with ML104
分子名称: (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[N-(2,4,6-trifluorophenyl)glycyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CALCIUM ION, ...
著者Westberg, M, Fernandez, D, Lin, M.Z.
登録日2021-10-03
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Rational design of a new class of protease inhibitors for the potential treatment of coronavirus diseases
To Be Published
7SET
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BU of 7set by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with ML1000
分子名称: (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CHLORIDE ION
著者Westberg, M, Fernandez, D, Lin, M.Z.
登録日2021-10-01
公開日2022-10-05
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
7SF1
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BU of 7sf1 by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with ML1001
分子名称: (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(3,3-dimethylbutanoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Westberg, M, Fernandez, D, Lin, M.Z.
登録日2021-10-02
公開日2022-10-05
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
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件を2024-07-24に公開中

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