3LXS

Crystal structure analysis of cruzain bound to vinyl sulfone derived inhibitor (WRR483)

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3LXS の概要

• エントリーDOI: 10.2210/pdb3lxs/pdb
• 分子名称: Cruzain, (Z)-N-(5-GUANIDINO-1-OXO-1-(5-PHENYL-1-(PHENYLSULFONYL)PENT-1-EN-3-YLAMINO)PENTAN-2-YL)-4-METHYLPIPERAZINE-1-CARBOXAMID E, 1,2-ETHANEDIOL, ... (5 entities in total)
• 機能のキーワード: cysteine protease, covalent inhibitor, vinyl sulfonamide, hydrolase
• 由来する生物種: Trypanosoma cruzi
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 48325.35

構造登録者

Kerr, I.D.,Brinen, L.S. (登録日: 2010-02-25, 公開日: 2010-10-20, 最終更新日: 2024-11-13)

主引用文献

Chen, Y.T.,Brinen, L.S.,Kerr, I.D.,Hansell, E.,Doyle, P.S.,McKerrow, J.H.,Roush, W.R.
In vitro and in vivo studies of the trypanocidal properties of WRR-483 against Trypanosoma cruzi.
Plos Negl Trop Dis, 4:-, 2010

PubMed Abstract: Cruzain, the major cysteine protease of Trypanosoma cruzi, is an essential enzyme for the parasite life cycle and has been validated as a viable target to treat Chagas' disease. As a proof-of-concept, K11777, a potent inhibitor of cruzain, was found to effectively eliminate T. cruzi infection and is currently a clinical candidate for treatment of Chagas' disease.

PubMed: 20856868
DOI: 10.1371/journal.pntd.0000825

実験手法

X-RAY DIFFRACTION (1.5 Å)