8XAM

Co-crystal structure of compound 7 in complex with MAT2A

8XAM の概要

• エントリーDOI: 10.2210/pdb8xam/pdb
• 分子名称: S-adenosylmethionine synthase isoform type-2, S-ADENOSYLMETHIONINE, 2-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenoxy]-~{N}-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenyl]ethanamide, ... (4 entities in total)
• 機能のキーワード: mat2a inhibitor, transferase
• 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: 85470.96

構造登録者

Gao, F.,Ding, X. (登録日: 2023-12-04, 公開日: 2024-02-28)

• 主引用文献: Gao, F.,Ding, X.,Cao, Z.,Zhu, W.,Fan, Y.,Steurer, B.,Wang, H.,Cai, X.,Zhang, M.,Aliper, A.,Ren, F.,Ding, X.,Zhavoronkov, A.; Discovery of novel MAT2A inhibitors by an allosteric site-compatible fragment growing approach.; Bioorg.Med.Chem., 100:117633-117633, 2024; PubMed: 38342078; DOI: 10.1016/j.bmc.2024.117633

実験手法

X-RAY DIFFRACTION (1.3 Å)