7RWH
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-41998
Summary for 7RWH
Entry DOI | 10.2210/pdb7rwh/pdb |
Related | 7KCC 7RW5 7RW7 7RWG |
Descriptor | S-adenosylmethionine synthase isoform type-2, S-ADENOSYLMETHIONINE, 8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[2,2,2-tris(fluoranyl)ethylamino]pyrido[4,3-d]pyrimidin-7-ol, ... (9 entities in total) |
Functional Keywords | methionine adenosyltransferase, sam, allosteric inhibitor, transferase, transferase-inhibitor complex, transferase/inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 45398.44 |
Authors | Jin, L.,Padyana, A.K. (deposition date: 2021-08-19, release date: 2022-03-23, Last modification date: 2023-10-18) |
Primary citation | Li, M.,Konteatis, Z.,Nagaraja, N.,Chen, Y.,Zhou, S.,Ma, G.,Gross, S.,Marjon, K.,Hyer, M.L.,Mandley, E.,Lein, M.,Padyana, A.K.,Jin, L.,Tong, S.,Peters, R.,Murtie, J.,Travins, J.,Medeiros, M.,Liu, P.,Frank, V.,Judd, E.T.,Biller, S.A.,Marks, K.M.,Sui, Z.,Reznik, S.K. Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65:4600-4615, 2022 Cited by PubMed: 35293760DOI: 10.1021/acs.jmedchem.1c01595 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.17 Å) |
Structure validation
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