3KKU

Cruzain in complex with a non-covalent ligand

3KKU の概要

• エントリーDOI: 10.2210/pdb3kku/pdb
• 分子名称: Cruzipain, N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide, 1,2-ETHANEDIOL, ... (5 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: 23836.24

構造登録者

Ferreira, R.S.,Eidam, O.,Shoichet, B.K. (登録日: 2009-11-06, 公開日: 2010-07-07, 最終更新日: 2023-09-06)

• 主引用文献: Ferreira, R.S.,Simeonov, A.,Jadhav, A.,Eidam, O.,Mott, B.T.,Keiser, M.J.,McKerrow, J.H.,Maloney, D.J.,Irwin, J.J.,Shoichet, B.K.; Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors.; J.Med.Chem., 53:4891-4905, 2010; PubMed: 20540517; DOI: 10.1021/jm100488w

実験手法

X-RAY DIFFRACTION (1.28 Å)