8TX0

IRAK4 in complex with compound

8TX0 の概要

• エントリーDOI: 10.2210/pdb8tx0/pdb
• 分子名称: Interleukin-1 receptor-associated kinase 4, ~{N}-(1-cyclopropyl-2-oxidanylidene-pyridin-3-yl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxy-imidazo[1,2-a]pyrimidine-6-carboxamide, 1,2-ETHANEDIOL, ... (5 entities in total)
• 機能のキーワード: kinase, transferase, transferase-inhibitor complex, transferase/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: 70486.14

構造登録者

Metrick, C.M.,Chodaparambil, J.V. (登録日: 2023-08-21, 公開日: 2024-06-26)

• 主引用文献: Pfaffenbach, M.,Bolduc, P.N.,Xin, Z.,Gao, F.,Evans, R.,Fang, T.,Chodaparambil, J.V.,Henry, K.L.,Li, P.,Mathieu, S.,Metrick, C.,Vera Rebollar, J.A.,Gu, R.F.,Mccarl, C.A.,Silbereis, J.,Peterson, E.A.; Discovery of BIO-8169─A Highly Potent, Selective, and Brain-Penetrant IRAK4 Inhibitor for the Treatment of Neuroinflammation.; J.Med.Chem., 67:8383-8395, 2024; PubMed: 38695469; DOI: 10.1021/acs.jmedchem.4c00560

実験手法

X-RAY DIFFRACTION (2 Å)