Co-crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium falciparum in complex with RY-1-165

Co-crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium falciparum in complex with RY-1-165 Descriptor: UNKNOWN ATOM OR ION, [(3R)-3-{[(4M)-4-(4-cyclopropyl-2-phenyl-1H-imidazol-1-yl)pyrimidin-2-yl]amino}pyrrolidin-1-yl](1,3-thiazol-2-yl)methanone, cGMP-dependent protein kinase, ... Authors: Hutchinson, A, Dong, A, Seitova, A, Bhanot, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) Deposit date: 2022-09-27 Release date: 2022-11-02 Last modified: 2024-08-07 Method: X-RAY DIFFRACTION (2.54 Å) Cite: Structure-Activity Relationship of a Pyrrole Based Series of PfPKG Inhibitors as Anti-Malarials. J.Med.Chem., 67, 2024

恶性疟原虫（Plasmodium falciparum）来源的环GMP依赖性蛋白激酶PKG（cGMP-dependent protein kinase, PKG）与RY-1-165的共晶结构，配体为[(3R)-3-{[(4M)-4-(4-环丙基-2-苯基-1H-咪唑-1-基)嘧啶-2-基]氨基}吡咯烷-1-基](1,3-噻唑-2-基)甲酮。描述符：未知原子或离子。作者：Hutchinson A、Dong A、Seitova A、Bhanot P、Arrowsmith C.H、Edwards A.M、Halabelian L、结构基因组学联合体（Structural Genomics Consortium, SGC）。提交日期：2022-09-27；发布日期：2022-11-02；最后修改日期：2024-08-07。实验方法：X射线衍射（X-RAY DIFFRACTION，分辨率2.54 Å）。引用文献：《作为抗疟剂的吡咯类PfPKG抑制剂系列的构效关系》，《药物化学杂志》（J.Med.Chem.），第67卷，2024年。