6SZQ

Crystal structure of human DDAH-1

6SZQ の概要

• エントリーDOI: 10.2210/pdb6szq/pdb
• 分子名称: N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 (2 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: 6
• 化学式量合計: 195409.85

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: 2024-01-24)

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 Abstract: -(4-Aminobutyl)-'-(2-methoxyethyl)guanidine () is a potent inhibitor targeting the DDAH-1 active site ( = 18 μM) and derived from a series of guanidine- and amidine-based inhibitors. Its nonamino acid nature leads to high selectivities toward other enzymes of the nitric oxide-modulating system. Crystallographic data of -bound DDAH-1 illuminated a unique binding mode. Together with its developed -hydroxyguanidine prodrug , will serve as a most widely applicable, pharmacological tool to target DDAH-1-associated diseases.

PubMed: 31841335
DOI: 10.1021/acs.jmedchem.9b01230

実験手法

X-RAY DIFFRACTION (2.412 Å)