8B95

Crystal structure of PPARG and NCOR2 with BAY-9683, an inverse agonist

Summary for 8B95

Entry DOI	10.2210/pdb8b95/pdb
Descriptor	Peroxisome proliferator-activated receptor gamma, Nuclear receptor corepressor 2, ~{N}1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-chloranyl-6-fluoranyl-~{N}3-(3-methyl-5-morpholin-4-yl-pyridin-2-yl)benzene-1,3-dicarboxamide, ... (4 entities in total)
Functional Keywords	nuclear hormone receptor transcription factor, transcription
Biological source	Homo sapiens (human) More
Total number of polymer chains	4
Total formula weight	70039.96
Authors	Friberg, A.,Orsi, D.L.,Pook, E.,Siegel, S.,Lemke, C.T.,Stellfeld, T.,Puetter, V.,Goldstein, J. (deposition date: 2022-10-05, release date: 2022-12-28, Last modification date: 2023-01-04)
Primary citation	Orsi, D.L.,Ferrara, S.J.,Siegel, S.,Friberg, A.,Bouche, L.,Pook, E.,Lienau, P.,Bluck, J.P.,Lemke, C.T.,Akcay, G.,Stellfeld, T.,Meyer, H.,Putter, V.,Holton, S.J.,Korr, D.,Jerchel-Furau, I.,Pantelidou, C.,Strathdee, C.A.,Meyerson, M.,Eis, K.,Goldstein, J.T. Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists. Bioorg.Med.Chem., 78:117130-117130, 2022 Cited by PubMed: 36542958 DOI: 10.1016/j.bmc.2022.117130 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.72 Å)

Structure validation