6GIP
Crystal structure of the ACVR1 (ALK2) kinase in complex with a Quinazolinone based ALK2 inhibitor with a 2, 5-dimethyl core.
6GIP の概要
エントリーDOI | 10.2210/pdb6gip/pdb |
分子名称 | Activin receptor type-1, 2,5-dimethyl-6-quinolin-4-yl-3~{H}-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 | 1 |
化学式量合計 | 35347.36 |
構造登録者 | Williams, E.,Hudson, L.,Bezerra, G.A.,Sorrell, F.,Mathea, S.,Chen, Z.,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 Cited by PubMed: 30085668DOI: 10.1021/acs.jmedchem.8b00782 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (2.17 Å) |
構造検証レポート
検証レポート(詳細版)をダウンロード