8XB0

Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with SAM and Compound 292

8XB0 の概要

• エントリーDOI: 10.2210/pdb8xb0/pdb
• 関連するPDBエントリー: 8XAR
• 分子名称: S-adenosylmethionine synthase isoform type-2, 1,2-ETHANEDIOL, 7-chloranyl-5-(2-cyclopropylpyridin-3-yl)-8-fluoranyl-2-methyl-pyrazolo[3,4-c]quinolin-4-one, ... (7 entities in total)
• 機能のキーワード: transferase, one-carbon metabolism, metal-binding, inhibitor complex
• 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: 46716.30

構造登録者

Tong, S.L.,Zhang, G.P. (登録日: 2023-12-05, 公開日: 2024-06-26)

• 主引用文献: Zheng, J.,Zhang, T.,Tong, S.,Liu, T.,Cui, J.,Xu, H.,Hu, D.,Shen, Y.,Yin, Y.,Zhao, D.,Tan, C.,Dong, X.,Chen, J.,Ji, F.,Tong, C.,Li, J.J.,Li, J.,Zhang, G.; Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with High Selectivity, Brain Penetration, and In Vivo Efficacy.; J.Med.Chem., 67:9431-9446, 2024; PubMed: 38818879; DOI: 10.1021/acs.jmedchem.4c00552

実験手法

X-RAY DIFFRACTION (1.12 Å)