1ME4

High Resolution Crystal Structure Analysis Of Cruzain non-covalently Bound To A Hydroxymethyl Ketone Inhibitor (I)

1ME4 の概要

• エントリーDOI: 10.2210/pdb1me4/pdb
• 関連するPDBエントリー: 1f29 1f2a 1f2b 1f2c
• 分子名称: CRUZIPAIN, [1-(1-BENZYL-3-HYDROXY-2-OXO-PROPYLCARBAMOYL)-2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER (3 entities in total)
• 機能のキーワード: cysteine protease, non-covalent inhibitor, 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: 23175.66

構造登録者

Brinen, L.S.,Huang, L.,Ellman, J.A. (登録日: 2002-08-07, 公開日: 2002-12-18, 最終更新日: 2024-12-25)

主引用文献

Huang, L.,Brinen, L.S.,Ellman, J.A.
Crystal Structures of Reversible Ketone-based Inhibitors of the Cysteine Protease Cruzain
Bioorg.Med.Chem., 11:21-29, 2003

PubMed Abstract: The crystal structures of two hydroxymethyl ketone inhibitors complexed to the cysteine protease cruzain have been determined at 1.1 and 1.2 A resolution, respectively. These high resolution crystal structures provide the first structures of non-covalent inhibitors bound to cruzain. A series of compounds were prepared and tested based upon the structures providing further insight into the key binding interactions.

PubMed: 12467703
DOI: 10.1016/S0968-0896(02)00427-3

実験手法

X-RAY DIFFRACTION (1.2 Å)