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 | |
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 Cited by PubMed: 38818879DOI: 10.1021/acs.jmedchem.4c00552 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.19 Å) |
Structure validation
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