Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with JG165

Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with JG165 Descriptor: 1,2-ETHANEDIOL, 6-(4-fluoranyl-3-methoxy-phenyl)-13$l^{6}-thia-2,4,8,12,19-pentazatricyclo[12.3.1.1^{3,7}]nonadeca-1(18),3,5,7(19),14,16-hexaene 13,13-dioxide, Ephrin type-A receptor 2 Authors: Zhubi, R, Gerninghaus, J, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) Deposit date: 2023-10-06 Release date: 2023-11-22 Last modified: 2024-11-27 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Back-Pocket Optimization of 2-Aminopyrimidine-Based Macrocycles Leads to Potent EPHA2/GAK Kinase Inhibitors. J.Med.Chem., 67, 2024人艾法林A型受体2（Ephrin type-A receptor 2, EPHA2）激酶结构域与JG165复合物的晶体结构，相关描述：共结晶溶剂为1,2-乙二醇，配体JG165的化学结构为6-(4-氟-3-甲氧基苯基)-13λ⁶-硫杂-2,4,8,12,19-五氮杂三环[12.3.1.1^{3,7}]十九碳-1(18),3,5,7(19),14,16-六烯13,13-二氧化物。作者：Zhubi R、Gerninghaus J、Knapp S、Kraemer A，结构基因组学联合体（Structural Genomics Consortium, SGC）。提交日期：2023-10-06；发布日期：2023-11-22；最后修改日期：2024-11-27。实验方法：X射线衍射（分辨率1.8 Å）。引用文献：《基于2-氨基嘧啶大环的后口袋优化得到强效EPHA2/GAK激酶抑制剂》，《药物化学杂志》（J.Med.Chem.）2024年第67卷。