6Q39

Complex of Arginase 2 with Example 49

6Q39 の概要

• エントリーDOI: 10.2210/pdb6q39/pdb
• 関連するPDBエントリー: 6Q37
• 分子名称: Arginase-2, mitochondrial, MANGANESE (II) ION, BENZAMIDINE, ... (6 entities in total)
• 機能のキーワード: metalloenzyme, alpha/beta fold, hydrolase, arginine metabolism, manganese, mitochondrion, hydrolase-hydrolase inhibitor complex
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 101610.08

構造登録者

Podjarny, A.D.,Van Zandt, M.C.,Cousido-Siah, A. (登録日: 2018-12-03, 公開日: 2019-08-28, 最終更新日: 2024-01-24)

主引用文献

Van Zandt, M.C.,Jagdmann, G.E.,Whitehouse, D.L.,Ji, M.,Savoy, J.,Potapova, O.,Cousido-Siah, A.,Mitschler, A.,Howard, E.I.,Pyle, A.M.,Podjarny, A.D.
Discovery ofN-Substituted 3-Amino-4-(3-boronopropyl)pyrrolidine-3-carboxylic Acids as Highly Potent Third-Generation Inhibitors of Human Arginase I and II.
J.Med.Chem., 62:8164-8177, 2019

PubMed Abstract: Recent efforts to identify new highly potent arginase inhibitors have resulted in the discovery of a novel family of (3,4)-3-amino-4-(3-boronopropyl)pyrrolidine-3-carboxylic acid analogues with up to a 1000-fold increase in potency relative to the current standards, 2-amino-6-boronohexanoic acid (ABH) and -hydroxy-nor-l-arginine (nor-NOHA). The lead candidate, with an -2-amino-3-phenylpropyl substituent (NED-3238), example , inhibits arginase I and II with IC values of 1.3 and 8.1 nM, respectively. Herein, we report the design, synthesis, and structure-activity relationships for this novel series of inhibitors, along with X-ray crystallographic data for selected examples bound to human arginase II.

PubMed: 31408339
DOI: 10.1021/acs.jmedchem.9b00931

実験手法

X-RAY DIFFRACTION (2.213 Å)