3IUT

The Crystal Structure of Cruzain in Complex with a Tetrafluorophenoxymethyl Ketone Inhibitor

3IUT の概要

• エントリーDOI: 10.2210/pdb3iut/pdb
• 分子名称: Cruzipain, (3S)-3-(4-{(1S)-1,2-dimethyl-1-[(quinolin-6-ylmethyl)amino]propyl}-1H-1,2,3-triazol-1-yl)heptan-2-one, 1,2-ETHANEDIOL, ... (4 entities in total)
• 機能のキーワード: mature domain, papain family cysteine protease, autocatalytic cleavage, disulfide bond, glycoprotein, hydrolase, protease, thiol protease, zymogen
• 由来する生物種: Trypanosoma cruzi
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 24153.81

構造登録者

Kerr, I.D.,Debnath, M.,Brinen, L.S. (登録日: 2009-08-31, 公開日: 2010-03-02, 最終更新日: 2023-09-06)

• 主引用文献: Brak, K.,Kerr, I.D.,Barrett, K.T.,Fuchi, N.,Debnath, M.,Ang, K.,Engel, J.C.,McKerrow, J.H.,Doyle, P.S.,Brinen, L.S.,Ellman, J.A.; Nonpeptidic tetrafluorophenoxymethyl ketone cruzain inhibitors as promising new leads for chagas disease chemotherapy.; J.Med.Chem., 53:1763-1773, 2010; PubMed: 20088534; DOI: 10.1021/jm901633v

実験手法

X-RAY DIFFRACTION (1.2 Å)