Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 20

Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 20 Descriptor: (3~{S})-3-[5-(8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{N}-[(1~{R})-1-phenylethyl]pentanamide, ACETATE ION, CHLORIDE ION, ... Authors: Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T. Deposit date: 2021-09-01 Release date: 2022-02-16 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors. Bioorg.Med.Chem., 52, 2021人丙酮酸脱氢酶激酶2与化合物20结合的晶体结构 描述符：(3S)-3-[5-(8-环丙基-2-甲基-9H-吡啶并[2,3-b]吲哚-3-基)-1,3,4-噁二唑-2-基]-4-甲基-N-[(1R)-1-苯乙基]戊酰胺、乙酸根离子、氯离子…… 作者：Orita, T、Doi, S、Iwanaga, T、Fujishima, A、Adachi, T 存放日期：2021-09-01 发布日期：2022-02-16 最后修改日期：2023-11-29 实验方法：X射线衍射（分辨率2.6 Å） 引用文献：新型强效丙酮酸脱氢酶激酶抑制剂的基于结构药物设计。《生物有机与药物化学》，52卷，2021年