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PDB: 10 件
7S71
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BU of 7s71 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI35
分子名称: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(hexylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Yang, K.S, Sankaran, B, Liu, W.R.
登録日2021-09-15
公開日2022-07-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S72
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BU of 7s72 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI36
分子名称: (1R,2S,5S)-N-{(2S,3R)-4-(benzylamino)-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
著者Yang, K.S, Sankaran, B, Liu, W.R.
登録日2021-09-15
公開日2022-07-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S6W
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BU of 7s6w by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI29
分子名称: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Yang, K.S, Sankaran, B, Liu, W.R.
登録日2021-09-15
公開日2022-07-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S6X
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BU of 7s6x by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI30
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
著者Yang, K.S, Sankaran, B, Liu, W.R.
登録日2021-09-15
公開日2022-07-27
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S75
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BU of 7s75 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI42
分子名称: (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(3-methylbutanoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Yang, K.S, Sankaran, B, Liu, W.R.
登録日2021-09-15
公開日2022-07-27
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S70
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BU of 7s70 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI34
分子名称: (1R,2S,5S)-N-{(2S,3R)-4-(butylamino)-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
著者Yang, K.S, Sankaran, B, Liu, W.R.
登録日2021-09-15
公開日2022-07-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S6Y
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BU of 7s6y by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI32
分子名称: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-[(cyclopropylmethyl)amino]-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Yang, K.S, Sankaran, B, Liu, W.R.
登録日2021-09-15
公開日2022-07-27
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S74
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BU of 7s74 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI38
分子名称: 3C-like proteinase, N-(tert-butylcarbamoyl)-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
著者Yang, K.S, Sankaran, B, Liu, W.R.
登録日2021-09-15
公開日2022-07-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S73
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BU of 7s73 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI37
分子名称: (6S)-5-{(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-5-azaspiro[2.4]heptane-6-carboxamide (non-preferred name), 3C-like proteinase
著者Yang, K.S, Sankaran, B, Liu, W.R.
登録日2021-09-15
公開日2022-07-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S6Z
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BU of 7s6z by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI33
分子名称: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Yang, K.S, Sankaran, B, Liu, W.R.
登録日2021-09-15
公開日2022-07-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022

238582

件を2025-07-09に公開中

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