5J9L

Crystal structure of CPT1691 bound to TAK1-TAB1

5J9L の概要

• エントリーDOI: 10.2210/pdb5j9l/pdb
• 分子名称: Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, N-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide (3 entities in total)
• 機能のキーワード: mitogen-activated protein kinase kinase kinase 7/tgf-beta-activated kinase 1 and map3k7-binding protein 1, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human); 詳細
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 35250.64

構造登録者

Gurbani, D.,Westover, K.D. (登録日: 2016-04-10, 公開日: 2017-02-15, 最終更新日: 2023-09-27)

• 主引用文献: Tan, L.,Gurbani, D.,Weisberg, E.L.,Hunter, J.C.,Li, L.,Jones, D.S.,Ficarro, S.B.,Mowafy, S.,Tam, C.P.,Rao, S.,Du, G.,Griffin, J.D.,Sorger, P.K.,Marto, J.A.,Westover, K.D.,Gray, N.S.; Structure-guided development of covalent TAK1 inhibitors.; Bioorg. Med. Chem., 25:838-846, 2017; PubMed: 28011204; DOI: 10.1016/j.bmc.2016.11.035

実験手法

X-RAY DIFFRACTION (2.7515 Å)