8XB0

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

Summary for 8XB0

• Entry DOI: 10.2210/pdb8xb0/pdb
• Related: 8XAR
• Descriptor: 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)
• Functional Keywords: transferase, one-carbon metabolism, metal-binding, inhibitor complex
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 46716.30

Authors

Tong, S.L.,Zhang, G.P. (deposition date: 2023-12-05, release date: 2024-06-26)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (1.12 Å)