4HEE

Crystal structure of PPARgamma in complex with compound 13

Summary for 4HEE

DescriptorPeroxisome proliferator-activated receptor gamma, Nuclear receptor coactivator 1, 5-benzyl-2-ethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3,5-dihydro-4H-imidazo[4,5-c]pyridin-4-one, ... (4 entities in total)
Functional Keywordsppargamma, transcription-transcription inhibitor complex, transcription/transcription inhibitor
Biological sourceHomo sapiens (human)
Cellular locationNucleus P37231
Nucleus (By similarity) Q15788
Total number of polymer chains2
Total molecular weight35649.3
Authors
Han, S. (deposition date: 2012-10-03, release date: 2013-08-21)
Primary citation
Casimiro-Garcia, A.,Heemstra, R.J.,Bigge, C.F.,Chen, J.,Ciske, F.A.,Davis, J.A.,Ellis, T.,Esmaeil, N.,Flynn, D.,Han, S.,Jalaie, M.,Ohren, J.F.,Powell, N.A.
Design, synthesis, and evaluation of imidazo[4,5-c]pyridin-4-one derivatives with dual activity at angiotensin II type 1 receptor and peroxisome proliferator-activated receptor-gamma
Bioorg.Med.Chem.Lett., 23:767-772, 2013
PubMed: 23265881 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2012.11.088
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.5 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.27031.2%13.0%0.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report