5OGQ

Structure of cathepsin B1 from Schistosoma mansoni in complex with WRR391 inhibitor

5OGQ の概要

• エントリーDOI: 10.2210/pdb5ogq/pdb
• 関連するPDBエントリー: 3QSD 3S3Q 3S3R 4I04 4I05 4I07
• 分子名称: 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, ACETATE ION, ... (4 entities in total)
• 機能のキーワード: protease, parasite, inhibitor, vinyl sulfone, hydrolase
• 由来する生物種: Schistosoma mansoni (Blood fluke)
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 87533.17

構造登録者

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)

• 主引用文献: Jilkova, A.,Rubesova, P.,Fanfrlik, J.,Fajtova, P.,Rezacova, P.,Brynda, J.,Lepsik, M.,Mertlikova-Kaiserova, H.,Emal, C.D.,Renslo, A.R.,Roush, W.R.,Horn, M.,Caffrey, C.R.,Mares, M.; 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; PubMed: 33175511; DOI: 10.1021/acsinfecdis.0c00501

実験手法

X-RAY DIFFRACTION (1.91 Å)