8OUT

CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 22

8OUT の概要

• エントリーDOI: 10.2210/pdb8out/pdb
• 分子名称: Mitogen-activated protein kinase kinase kinase 12, (1R)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-fluoranyl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-tris(fluoranyl)ethanol (3 entities in total)
• 機能のキーワード: dlk, kinase, inhibitor, signaling protein, transferase-inhibitor, m3k12
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34444.32

構造登録者

Zebisch, M.,Akkermans, O.,Barker, J.J.,Cross, J.B. (登録日: 2023-04-24, 公開日: 2023-07-26, 最終更新日: 2024-06-19)

• 主引用文献: Le, K.,Soth, M.J.,Cross, J.B.,Liu, G.,Ray, W.J.,Ma, J.,Goodwani, S.G.,Acton, P.J.,Buggia-Prevot, V.,Akkermans, O.,Barker, J.,Conner, M.L.,Jiang, Y.,Liu, Z.,McEwan, P.,Warner-Schmidt, J.,Xu, A.,Zebisch, M.,Heijnen, C.J.,Abrahams, B.,Jones, P.; Discovery of IACS-52825, a Potent and Selective DLK Inhibitor for Treatment of Chemotherapy-Induced Peripheral Neuropathy.; J.Med.Chem., 66:9954-9971, 2023; PubMed: 37436942; DOI: 10.1021/acs.jmedchem.3c00788

実験手法

X-RAY DIFFRACTION (1.935 Å)