8C7Z

Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2308

8C7Z の概要

• エントリーDOI: 10.2210/pdb8c7z/pdb
• 分子名称: Activin receptor type I, AMMONIUM ION, 9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzoxepino[5,4-c]pyridine, ... (6 entities in total)
• 機能のキーワード: bmp signalling kinase inhibitor, signaling protein
• 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: 36166.26

構造登録者

Cros, J.,Williams, E.P.,Sweeney, M.N.,Smil, D.,Gonzalez-Alvarez, H.,Al-awar, R.,Bullock, A.N. (登録日: 2023-01-18, 公開日: 2023-02-01, 最終更新日: 2024-08-14)

• 主引用文献: Gonzalez-Alvarez, H.,Ensan, D.,Xin, T.,Wong, J.F.,Zepeda-Velazquez, C.A.,Cros, J.,Sweeney, M.N.,Hoffer, L.,Kiyota, T.,Wilson, B.J.,Aman, A.,Roberts, O.,Isaac, M.B.,Bullock, A.N.,Smil, D.,Al-Awar, R.; Discovery of Conformationally Constrained ALK2 Inhibitors.; J.Med.Chem., 67:4707-4725, 2024; PubMed: 38498998; DOI: 10.1021/acs.jmedchem.3c02308

実験手法

X-RAY DIFFRACTION (2.23 Å)