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PDB: 4 件

8CD9
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BU of 8cd9 by Molmil
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
7JUJ
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BU of 7juj by Molmil
Cruzain bound to Gallinamide inhibitor
分子名称: Cruzipain, POTASSIUM ION, gallinamide A, ...
著者Silva, E.B, Sharma, V, Alvarez, L.H, Gerwick, W.H, McKerrow, J.H, Podust, L.M.
登録日2020-08-19
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Intramolecular Interactions Enhance the Potency of Gallinamide A Analogues against Trypanosoma cruzi .
J.Med.Chem., 65, 2022
8CC2
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BU of 8cc2 by Molmil
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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BU of 8ccu by Molmil
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

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件を2024-08-07に公開中

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