6SZP

High resolution crystal structure of human DDAH-1 in complex with N-(4-Aminobutyl)-N'-(2-Methoxyethyl)guanidine

6SZP の概要

• エントリーDOI: 10.2210/pdb6szp/pdb
• 分子名称: N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, (1~{S})-~{N}'-(4-azanylbutyl)-~{N}"-(2-methoxyethyl)methanetriamine, GLYCEROL, ... (4 entities in total)
• 機能のキーワード: dimethylarginine dimethylaminohydrolase, guanidine inhibitor, induced fit, prodrug, hydrolase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 32942.78

構造登録者

Hennig, S.,Vetter, I.R.,Schade, D. (登録日: 2019-10-02, 公開日: 2019-12-25, 最終更新日: 2020-01-22)

• 主引用文献: Lunk, I.,Litty, F.A.,Hennig, S.,Vetter, I.R.,Kotthaus, J.,Altmann, K.S.,Ott, G.,Havemeyer, A.,Carillo Garcia, C.,Clement, B.,Schade, D.; Discovery ofN-(4-Aminobutyl)-N'-(2-methoxyethyl)guanidine as the First Selective, Nonamino Acid, Catalytic Site Inhibitor of Human Dimethylarginine Dimethylaminohydrolase-1 (hDDAH-1).; J.Med.Chem., 63:425-432, 2020; PubMed: 31841335; DOI: 10.1021/acs.jmedchem.9b01230

実験手法

X-RAY DIFFRACTION (1.76 Å)