8XAR

Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with SAM and Compound 54

Summary for 8XAR

• Entry DOI: 10.2210/pdb8xar/pdb
• Descriptor: S-adenosylmethionine synthase isoform type-2, 7-chloranyl-2-ethyl-5-pyridin-3-yl-pyrazolo[3,4-c]quinolin-4-one, GLYCEROL, ... (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: 46537.50

Authors

Zheng, J.Y.,Zhang, G.P.,Li, J.J.,Tong, S.L. (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 (1.19 Å)