4MPU

Human beta-tryptase co-crystal structure with (6S,8R)-N,N'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-8-hydroxy-6-(1-hydroxycyclobutyl)-5,7-dioxaspiro[3.4]octane-6,8-dicarboxamide

4MPU の概要

• エントリーDOI: 10.2210/pdb4mpu/pdb
• 関連するPDBエントリー: 4MPV 4MPW 4MPX 4MQA
• 分子名称: Tryptase alpha/beta-1, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SULFATE ION, ... (6 entities in total)
• 機能のキーワード: coferon, alpha-hydroxyketone, small molecule inhibitor, drug discovery, self-assembly, crystal catalysis, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 57017.06

構造登録者

White, A.,Stein, A.J.,Suto, R.K. (登録日: 2013-09-13, 公開日: 2015-03-18, 最終更新日: 2019-09-25)

• 主引用文献: Giardina, S.F.,Werner, D.S.,Pingle, M.,Foreman, K.W.,Bergstrom, D.E.,Arnold, L.D.,Barany, F.; Target-Directed Self-Assembly of Homodimeric Drugs Against beta-Tryptase.; Acs Med.Chem.Lett., 9:827-831, 2018; PubMed: 30128075; DOI: 10.1021/acsmedchemlett.8b00204

実験手法

X-RAY DIFFRACTION (1.649 Å)