8E5M

Structure of ARG1 complex with pyrrolidine-based non-boronic acid inhibitor 6

8E5M の概要

• エントリーDOI: 10.2210/pdb8e5m/pdb
• 分子名称: Arginase-1, MANGANESE (II) ION, 1-{[(3S,4S)-3-({4-[2-(4-fluorobenzene-1-sulfonyl)ethyl]piperidin-1-yl}methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl]methyl}cyclopentane-1-carboxylic acid, ... (4 entities in total)
• 機能のキーワード: arginase, hydrolase, urea cycle, metabolism, hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 6
• 化学式量合計: 212786.86

構造登録者

Palte, R.L.,Gathiaka, S. (登録日: 2022-08-22, 公開日: 2023-03-08, 最終更新日: 2023-10-25)

• 主引用文献: Gathiaka, S.,Palte, R.L.,So, S.S.,Chai, X.,Richard Miller, J.,Kuvelkar, R.,Wen, X.,Cifelli, S.,Kreamer, A.,Liaw, A.,McLaren, D.G.,Fischer, C.; Discovery of non-boronic acid Arginase 1 inhibitors through virtual screening and biophysical methods.; Bioorg.Med.Chem.Lett., 84:129193-129193, 2023; PubMed: 36822300; DOI: 10.1016/j.bmcl.2023.129193

実験手法

X-RAY DIFFRACTION (1.84 Å)