7YAW

Crystal structure of ZAK in complex with compound YH-180

7YAW の概要

• エントリーDOI: 10.2210/pdb7yaw/pdb
• 分子名称: Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[3-[[5-[1-[2,6-bis(fluoranyl)-3-[(3-phenylphenyl)sulfonylamino]phenyl]-1,2,3-triazol-4-yl]-1~{H}-pyrazolo[3,4-b]pyridin-3-yl]oxy]propyl]propanamide (3 entities in total)
• 機能のキーワード: zak, inhibitor, yh-180, structural protein, structural protein-inhibitor complex, structural protein/inhibitor
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 143984.73

構造登録者

Kong, L.L.,Yun, C.H. (登録日: 2022-06-28, 公開日: 2023-08-09)

• 主引用文献: Zhou, Y.,Yu, H.,Vind, A.C.,Kong, L.,Liu, Y.,Song, X.,Tu, Z.,Yun, C.,Smaill, J.B.,Zhang, Q.W.,Ding, K.,Bekker-Jensen, S.,Lu, X.; Rational Design of Covalent Kinase Inhibitors by an Integrated Computational Workflow (Kin-Cov).; J.Med.Chem., 66:7405-7420, 2023; PubMed: 37220641; DOI: 10.1021/acs.jmedchem.3c00088

実験手法

X-RAY DIFFRACTION (2.1 Å)