Design and biological evaluation of novel, balanced dual PPARa/g agonists

Summary for 3FEI

DescriptorPeroxisome proliferator-activated receptor alpha, Peptide motif 5 of Nuclear receptor coactivator 1, (2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid, ... (4 entities in total)
Functional Keywordsnuclear receptor, transcription factor, diabetes, activator, dna-binding, metal-binding, nucleus, polymorphism, receptor, transcription, transcription regulation, zinc, zinc-finger
Biological sourceHomo sapiens (human)
Cellular locationNucleus Q07869
Nucleus (By similarity) Q15788
Total number of polymer chains2
Total molecular weight32363.25
Benz, J.,Grether, U.,Gsell, B.,Binggeli, A.,Hilpert, H.,Maerki, H.P.,Mohr, P.,Ruf, A.,Stihle, M.,Schlatter, D. (deposition date: 2008-11-30, release date: 2009-10-20, Last modification date: 2011-07-13)
Primary citation
Grether, U.,Benardeau, A.,Benz, J.,Binggeli, A.,Blum, D.,Hilpert, H.,Kuhn, B.,Maerki, H.P.,Meyer, M.,Mohr, P.,Puntener, K.,Raab, S.,Ruf, A.,Schlatter, D.
Design and biological evaluation of novel, balanced dual PPARalpha/gamma agonists
Chemmedchem, 4:951-956, 2009
PubMed: 19326383 (PDB entries with the same primary citation)
DOI: 10.1002/cmdc.200800425
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2599 0.4% 4.9% 7.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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PDB entries from 2020-10-28