4MPW

Human beta-tryptase co-crystal structure with [(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzofuran-3,5-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)

4MPW の概要

• エントリーDOI: 10.2210/pdb4mpw/pdb
• 関連するPDBエントリー: 4MPU 4MPV 4MPX 4MQA
• 分子名称: Tryptase alpha/beta-1, CHLORIDE ION, TRIETHYLENE GLYCOL, ... (6 entities in total)
• 機能のキーワード: coferon, alpha-hydroxyketone, small molecule inhibitor, drug discovery, self-assembly, crystal catalysis, silanol, 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: 56271.31

構造登録者

White, A.,Stein, A.J.,Suto, R. (登録日: 2013-09-13, 公開日: 2015-03-18, 最終更新日: 2024-10-09)

• 主引用文献: Giardina, S.F.,Werner, D.S.,Pingle, M.,Bergstrom, D.E.,Arnold, L.D.,Barany, F.; A Novel, Nonpeptidic, Orally Active Bivalent Inhibitor of Human beta-Tryptase.; Pharmacology, 102:233-243, 2018; PubMed: 30134249; DOI: 10.1159/000492078

実験手法

X-RAY DIFFRACTION (1.95 Å)