8XAM

Co-crystal structure of compound 7 in complex with MAT2A

Summary for 8XAM

• Entry DOI: 10.2210/pdb8xam/pdb
• Descriptor: 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)
• Functional Keywords: mat2a inhibitor, transferase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 85470.96

Authors

Gao, F.,Ding, X. (deposition date: 2023-12-04, release date: 2024-02-28)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (1.3 Å)