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PDB: 6 件
8B4T
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BU of 8b4t by Molmil
Human cathepsin B in complex with the carbamate inhibitor 7
分子名称: (2S)-2-[[(2S)-2-[(4-chloranylphenoxy)carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid, Cathepsin B
著者Rubesova, P, Guetschow, M, Mares, M.
登録日2022-09-21
公開日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Human cathepsin B in complex with the carbamate inhibitor 7
To Be Published
8B5F
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Human cathepsin B in complex with the carbamate inhibitor 31
分子名称: (2S)-2-[[(2S)-2-[[3-chloranyl-4-[[3-phenyl-2-(phenylmethyl)propanoyl]amino]phenoxy]carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid, 1,2-ETHANEDIOL, Cathepsin B
著者Rubesova, P, Guetschow, M, Mares, M.
登録日2022-09-22
公開日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Human cathepsin B in complex with the carbamate inhibitor 31
To Be Published
8CD9
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Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 6
分子名称: 1,2-ETHANEDIOL, Cathepsin B-like peptidase (C01 family), SODIUM ION, ...
著者Rubesova, P, Brynda, J, Fanfrlik, J, Gerwick, W.H, Mares, M.
登録日2023-01-30
公開日2024-02-21
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Nature-Inspired Gallinamides Are Potent Antischistosomal Agents: Inhibition of the Cathepsin B1 Protease Target and Binding Mode Analysis.
Acs Infect Dis., 10, 2024
8CC2
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Cathepsin B1 from Schistosoma mansoni in complex with gallinamide A
分子名称: Cathepsin B-like peptidase (C01 family), SODIUM ION, gallinamide A, ...
著者Rubesova, P, Brynda, J, Mares, M, Gerwick, W.H.
登録日2023-01-26
公開日2024-02-07
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Nature-Inspired Gallinamides Are Potent Antischistosomal Agents: Inhibition of the Cathepsin B1 Protease Target and Binding Mode Analysis.
Acs Infect Dis., 10, 2024
8CCU
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Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 1
分子名称: Cathepsin B-like peptidase (C01 family), SODIUM ION, [(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-2-(2-methylpropyl)-5-oxidanylidene-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S},3~{S})-2-(dimethylamino)-3-methyl-pentanoate
著者Rubesova, P, Brynda, J, Gerwick, W.H, Mares, M.
登録日2023-01-27
公開日2024-02-07
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Nature-Inspired Gallinamides Are Potent Antischistosomal Agents: Inhibition of the Cathepsin B1 Protease Target and Binding Mode Analysis.
Acs Infect Dis., 10, 2024
6YI7
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BU of 6yi7 by Molmil
Structure of cathepsin B1 from Schistosoma mansoni (SmCB1) in complex with an azanitrile inhibitor
分子名称: 1-[(2~{S})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea, ACETATE ION, Cathepsin B-like peptidase (C01 family)
著者Jilkova, A, Rezacova, P, Pachl, P, Fanfrlik, J, Rubesova, P, Guetschow, M, Mares, M.
登録日2020-04-01
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Azanitrile Inhibitors of the SmCB1 Protease Target Are Lethal to Schistosoma mansoni : Structural and Mechanistic Insights into Chemotype Reactivity.
Acs Infect Dis., 7, 2021

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件を2024-09-04に公開中

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