2OZ2

Crystal structure analysis of cruzain bound to vinyl sulfone derived inhibitor (K11777)

2OZ2 の概要

• エントリーDOI: 10.2210/pdb2oz2/pdb
• 分子名称: Cruzipain, SULFATE ION, NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-L-PHENYLALANINAMIDE, ... (4 entities in total)
• 機能のキーワード: cysteine protease, covalent inhibitor, vinyl sulfoneamide derived, 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: 47352.27

構造登録者

Rickert, M.,Brinen, L. (登録日: 2007-02-23, 公開日: 2008-02-26, 最終更新日: 2024-11-13)

主引用文献

Kerr, I.D.,Lee, J.H.,Farady, C.J.,Marion, R.,Rickert, M.,Sajid, M.,Pandey, K.C.,Caffrey, C.R.,Legac, J.,Hansell, E.,McKerrow, J.H.,Craik, C.S.,Rosenthal, P.J.,Brinen, L.S.
Vinyl sulfones as antiparasitic agents and a structural basis for drug design.
J.Biol.Chem., 284:25697-25703, 2009

PubMed Abstract: Cysteine proteases of the papain superfamily are implicated in a number of cellular processes and are important virulence factors in the pathogenesis of parasitic disease. These enzymes have therefore emerged as promising targets for antiparasitic drugs. We report the crystal structures of three major parasite cysteine proteases, cruzain, falcipain-3, and the first reported structure of rhodesain, in complex with a class of potent, small molecule, cysteine protease inhibitors, the vinyl sulfones. These data, in conjunction with comparative inhibition kinetics, provide insight into the molecular mechanisms that drive cysteine protease inhibition by vinyl sulfones, the binding specificity of these important proteases and the potential of vinyl sulfones as antiparasitic drugs.

PubMed: 19620707
DOI: 10.1074/jbc.M109.014340

実験手法

X-RAY DIFFRACTION (1.95 Å)