8B4T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8b4t by Molmil](/molmil-images/mine/8b4t) | |
8B5F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8b5f by Molmil](/molmil-images/mine/8b5f) | |
8CD9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cd9 by Molmil](/molmil-images/mine/8cd9) | 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 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 6 To Be Published
|
|
8CCU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ccu by Molmil](/molmil-images/mine/8ccu) | 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 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 1 To Be Published
|
|
8CC2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cc2 by Molmil](/molmil-images/mine/8cc2) | 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 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Cathepsin B1 from Schistosoma mansoni in complex with gallinamide A To Be Published
|
|
6YI7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yi7 by Molmil](/molmil-images/mine/6yi7) | 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
|
|
5OGR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ogr by Molmil](/molmil-images/mine/5ogr) | Structure of cathepsin B1 from Schistosoma mansoni in complex with WRR286 inhibitor | 分子名称: | 3-[[N-[4-METHYL-PIPERAZINYL]CARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID BENZYLOXY-AMIDE, ACETATE ION, Cathepsin B-like peptidase (C01 family) | 著者 | Jilkova, A, Rezacova, P, Brynda, J, Mares, M. | 登録日 | 2017-07-13 | 公開日 | 2018-11-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Druggable Hot Spots in the Schistosomiasis Cathepsin B1 Target Identified by Functional and Binding Mode Analysis of Potent Vinyl Sulfone Inhibitors. Acs Infect Dis., 2020
|
|
5OGQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ogq by Molmil](/molmil-images/mine/5ogq) | Structure of cathepsin B1 from Schistosoma mansoni in complex with WRR391 inhibitor | 分子名称: | ACETATE ION, Cathepsin B-like peptidase (C01 family), ethyl 1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanylidene-1-[[(3~{S})-1-phenyl-5-pyridin-2-ylsulfonyl-pentan-3-yl]amino]propan-2-yl]carbamoyl]piperidine-4-carboxylate | 著者 | Jilkova, A, Rezacova, P, Brynda, J, Mares, M. | 登録日 | 2017-07-13 | 公開日 | 2018-11-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Druggable Hot Spots in the Schistosomiasis Cathepsin B1 Target Identified by Functional and Binding Mode Analysis of Potent Vinyl Sulfone Inhibitors. Acs Infect Dis., 2020
|
|
7QBN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qbn by Molmil](/molmil-images/mine/7qbn) | Structure of cathepsin K in complex with the azadipeptide nitrile inhibitor Gu1303 | 分子名称: | (phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | 著者 | Benysek, J, Busa, M, Mares, M. | 登録日 | 2021-11-19 | 公開日 | 2022-01-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes. J Enzyme Inhib Med Chem, 37, 2022
|
|
7QBL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qbl by Molmil](/molmil-images/mine/7qbl) | |
7QBM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qbm by Molmil](/molmil-images/mine/7qbm) | Structure of the activation intermediate of cathepsin K in complex with the 3-cyano-3-aza-beta-amino acid inhibitor Gu2602 | 分子名称: | ACETATE ION, Cathepsin K, MAGNESIUM ION, ... | 著者 | Benysek, J, Busa, M, Mares, M. | 登録日 | 2021-11-19 | 公開日 | 2022-01-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes. J Enzyme Inhib Med Chem, 37, 2022
|
|
7QBO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qbo by Molmil](/molmil-images/mine/7qbo) | Structure of the activation intermediate of cathepsin K in complex with the azadipeptide nitrile inhibitor Gu1303 | 分子名称: | (phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Benysek, J, Busa, M, Mares, M. | 登録日 | 2021-11-19 | 公開日 | 2022-01-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes. J Enzyme Inhib Med Chem, 37, 2022
|
|