6GIN

Crystal structure of the ACVR1 (ALK2) kinase in complex with an Quinazolinone based ALK2 inhibitor with a 4-morpholinophenyl solvent accessible group.

6GIN の概要

• エントリーDOI: 10.2210/pdb6gin/pdb
• 分子名称: Activin receptor type-1, 3-(4-morpholin-4-ylphenyl)-6-quinolin-4-yl-quinazolin-4-one, SULFATE ION, ... (5 entities in total)
• 機能のキーワード: kinase, bmp, inhibitor, signalling, signaling protein
• 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: 70768.89

構造登録者

Williams, E.,Hudson, L.,Bezerra, G.A.,Kopec, J.,Mahajan, P.,Kupinska, K.,Hoelder, S.,Burgess-Brown, N.,von Delft, F.,Arrowsmith, C.H.,Edwards, A.M.,Bountra, C.,Bullock, A.N. (登録日: 2018-05-14, 公開日: 2018-05-23, 最終更新日: 2024-01-17)

• 主引用文献: Hudson, L.,Mui, J.,Vazquez, S.,Carvalho, D.M.,Williams, E.,Jones, C.,Bullock, A.N.,Hoelder, S.; Novel Quinazolinone Inhibitors of ALK2 Flip between Alternate Binding Modes: Structure-Activity Relationship, Structural Characterization, Kinase Profiling, and Cellular Proof of Concept.; J. Med. Chem., 61:7261-7272, 2018; PubMed: 30085668; DOI: 10.1021/acs.jmedchem.8b00782

実験手法

X-RAY DIFFRACTION (2.2 Å)