X-ray crystal structure of human ppar gamma with 2-(5-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-2-phenyl-2h-1,2,3-triazol-4-yl)acetic acid

Summary for 3BC5

DescriptorPeroxisome proliferator-activated receptor gamma, (5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid (3 entities in total)
Functional Keywordsligand-binding domain, nuclear hormone receptor, transcription factor, activator, alternative splicing, diabetes mellitus, disease mutation, dna-binding, metal-binding, nucleus, obesity, phosphorylation, polymorphism, transcription regulation, zinc, zinc-finger, transcription
Biological sourceHomo sapiens (Human)
Cellular locationNucleus P37231
Total number of polymer chains1
Total molecular weight34246.61
Muckelbauer, J.K. (deposition date: 2007-11-12, release date: 2008-11-18, Last modification date: 2017-08-23)
Primary citation
Zhang, H.,Ryono, D.E.,Devasthale, P.,Wang, W.,O'Malley, K.,Farrelly, D.,Gu, L.,Harrity, T.,Cap, M.,Chu, C.,Locke, K.,Zhang, L.,Lippy, J.,Kunselman, L.,Morgan, N.,Flynn, N.,Moore, L.,Hosagrahara, V.,Zhang, L.,Kadiyala, P.,Xu, C.,Doweyko, A.M.,Bell, A.,Chang, C.,Muckelbauer, J.,Zahler, R.,Hariharan, N.,Cheng, P.T.
Design, synthesis and structure-activity relationships of azole acids as novel, potent dual PPAR alpha/gamma agonists.
Bioorg.Med.Chem.Lett., 19:1451-1456, 2009
PubMed: 19201606 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2009.01.030
MImport into Mendeley
Experimental method
NMR Information

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.24970.8%12.8%4.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report