1WXZ

Crystal structure of adenosine deaminase ligated with a potent inhibitor

1WXZ の概要

• エントリーDOI: 10.2210/pdb1wxz/pdb
• 分子名称: Adenosine deaminase, ZINC ION, 1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE, ... (4 entities in total)
• 機能のキーワード: beta barel, hydrolase
• 由来する生物種: Bos taurus (cattle)
• 細胞内の位置: Cell membrane ; Peripheral membrane protein ; Extracellular side : P56658
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 40831.96

構造登録者

Kinoshita, T. (登録日: 2005-02-02, 公開日: 2005-08-16, 最終更新日: 2024-03-13)

主引用文献

Terasaka, T.,Tsuji, K.,Kato, T.,Nakanishi, I.,Kinoshita, T.,Kato, Y.,Kuno, M.,Inoue, T.,Tanaka, K.,Nakamura, K.
Rational design of non-nucleoside, potent, and orally bioavailable adenosine deaminase inhibitors: predicting enzyme conformational change and metabolism
J.Med.Chem., 48:4750-4753, 2005

PubMed Abstract: From metabolic considerations and prediction of an inhibitor-induced conformational change, novel adenosine deaminase (ADA) inhibitors with improved activities and oral bioavailability have been developed on the basis of our originally designed non-nucleoside ADA inhibitors. They demonstrated in vivo efficacy in models of inflammation and lymphoma. Furthermore, X-ray crystal structure analysis has revealed a novel induced fit to ADA.

PubMed: 16033254
DOI: 10.1021/jm050413g

実験手法

X-RAY DIFFRACTION (2.8 Å)