8AQN

Crystal structure of PPARG and NCOR2 with BAY-4931, an inverse agonist (compound 6c)

Summary for 8AQN

Entry DOI	10.2210/pdb8aqn/pdb
Descriptor	Peroxisome proliferator-activated receptor gamma, Nuclear receptor corepressor 2, 2-chloranyl-~{N}-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide, ... (6 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	70070.07
Authors	Friberg, A.,Orsi, D.L.,Pook, E.,Braeuer, N.,Lemke, C.T.,Stellfeld, T.,Puetter, V.,Goldstein, J. (deposition date: 2022-08-12, release date: 2022-11-09, Last modification date: 2022-12-28)
Primary citation	Orsi, D.L.,Pook, E.,Brauer, N.,Friberg, A.,Lienau, P.,Lemke, C.T.,Stellfeld, T.,Bruggemeier, U.,Putter, V.,Meyer, H.,Baco, M.,Tang, S.,Cherniack, A.D.,Westlake, L.,Bender, S.A.,Kocak, M.,Strathdee, C.A.,Meyerson, M.,Eis, K.,Goldstein, J.T. Discovery and Structure-Based Design of Potent Covalent PPAR gamma Inverse-Agonists BAY-4931 and BAY-0069 . J.Med.Chem., 65:14843-14863, 2022 Cited by PubMed: 36270630 DOI: 10.1021/acs.jmedchem.2c01379 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.9 Å)

Structure validation