3I06

Crystal structure of cruzain covalently bound to a purine nitrile

3I06 の概要

• エントリーDOI: 10.2210/pdb3i06/pdb
• 分子名称: Cruzipain, 6-[(3,5-difluorophenyl)amino]-9-ethyl-9H-purine-2-carbonitrile (3 entities in total)
• 機能のキーワード: autocatalytic cleavage, glycoprotein, protease, thiol protease, zymogen, hydrolase
• 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: 23015.40

構造登録者

Ferreira, R.S.,Shoichet, B.K.,McKerrow, J.H. (登録日: 2009-06-24, 公開日: 2009-12-15, 最終更新日: 2023-09-06)

• 主引用文献: Mott, B.T.,Ferreira, R.S.,Simeonov, A.,Jadhav, A.,Ang, K.K.,Leister, W.,Shen, M.,Silveira, J.T.,Doyle, P.S.,Arkin, M.R.,McKerrow, J.H.,Inglese, J.,Austin, C.P.,Thomas, C.J.,Shoichet, B.K.,Maloney, D.J.; Identification and optimization of inhibitors of trypanosomal cysteine proteases: cruzain, rhodesain, and TbCatB.; J.Med.Chem., 53:52-60, 2010; PubMed: 19908842; DOI: 10.1021/jm901069a

実験手法

X-RAY DIFFRACTION (1.1 Å)