Crystal structure of mutant PPARG (C313A) and NCOR2 with an inverse agonist (compound SI-1)

Crystal structure of mutant PPARG (C313A) and NCOR2 with an inverse agonist (compound SI-1) Descriptor: Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma, ~{N}3-[4-[bis(fluoranyl)methoxy]-3-fluoranyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide Authors: Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. Deposit date: 2022-10-05 Release date: 2022-12-28 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists. Bioorg.Med.Chem., 78, 2022突变型PPARG（C313A）与核受体辅阻遏物2（NCOR2）结合反向激动剂（化合物SI-1）的晶体结构。描述符：核受体辅阻遏物2（Nuclear receptor corepressor 2）、过氧化物酶体增殖物激活受体γ（Peroxisome proliferator-activated receptor gamma）、~N3-[4-[双(氟)甲氧基]-3-氟苯基]-4-氯-6-氟-~N1-[(2-甲氧基苯基)甲基]苯-1,3-二甲酰胺。作者：Friberg, A、Orsi, D.L、Pook, E、Siegel, S、Lemke, C.T、Stellfeld, T、Puetter, V、Goldstein, J。存入日期：2022-10-05，发布日期：2022-12-28，最后修改日期：2024-05-01。实验方法：X射线衍射（X-RAY DIFFRACTION）（分辨率2.23 Å）。引用文献：《可口服生物利用的4-氯-6-氟间苯二甲酰胺类共价PPARG反向激动剂的发现与表征》，《Bioorg.Med.Chem.》，第78卷，2022年