6P0P

Human beta-tryptase co-crystal structure with 5-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}-2-(3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}-[1,1'-biphenyl]-3-yl)-2-hydroxy-2H-1,3,2-benzodioxaborol-2-uide

6P0P の概要

• エントリーDOI: 10.2210/pdb6p0p/pdb
• 分子名称: Tryptase alpha/beta-1, (3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}[1,1'-biphenyl]-3-yl){4-[3-(aminomethyl)phenyl]piperidin-1-yl}[3,4-di(hydroxy-kappaO)phenyl]methanonato(2-)hydroxyborate(1-), SULFATE ION, ... (6 entities in total)
• 機能のキーワード: tryptase, bivalent inhibitor, protease inhibitor, hydrolase, 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: 62633.68

構造登録者

Giardina, S.F.,Pingle, M.R.,Werner, D.S.,Feinberg, P.B.,Foreman, K.W.,Bergstrom, D.E.,Arnold, L.D.,Barany, F. (登録日: 2019-05-17, 公開日: 2020-03-25, 最終更新日: 2023-10-11)

• 主引用文献: Giardina, S.F.,Werner, D.S.,Pingle, M.,Feinberg, P.B.,Foreman, K.W.,Bergstrom, D.E.,Arnold, L.D.,Barany, F.; Novel, Self-Assembling Dimeric Inhibitors of Human beta Tryptase.; J.Med.Chem., 63:3004-3027, 2020; PubMed: 32057241; DOI: 10.1021/acs.jmedchem.9b01689

実験手法

X-RAY DIFFRACTION (2.55 Å)