Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-41998

Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-41998 Descriptor: 1,2-ETHANEDIOL, 8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[2,2,2-tris(fluoranyl)ethylamino]pyrido[4,3-d]pyrimidin-7-ol, CHLORIDE ION, ... Authors: Jin, L, Padyana, A.K. Deposit date: 2021-08-19 Release date: 2022-03-23 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.17 Å) Cite: Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022人源甲硫氨酸腺苷转移酶2A（methionine adenosyltransferase 2A, MAT2A）与S-腺苷甲硫氨酸（SAM）及变构抑制剂AGI-41998的共晶结构 配体列表：1,2-乙二醇、8-(4-溴苯基)-6-(4-甲氧基苯基)-2-[2,2,2-三氟乙基氨基]吡啶并[4,3-d]嘧啶-7-醇、氯离子…… 作者：Jin, L、Padyana, A.K. 沉积日期：2021-08-19 发布日期：2022-03-23 最后更新日期：2023-10-18 实验方法：X射线衍射（分辨率1.17 Å） 引用文献：《依托基于结构的药物设计策略发现新一代MAT2A抑制剂，包括可穿透血脑屏障且外周有效的先导化合物》，《药物化学杂志》（J.Med.Chem.），65卷，2022年