4FHI

Development of synthetically accessible non-secosteroidal hybrid molecules combining vitamin D receptor agonism and histone deacetylase inhibition

Summary for 4FHI

Related4FHH
DescriptorVitamin Nuclear Receptor, SRC-1, N-hydroxy-2-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide, ... (4 entities in total)
Functional Keywordsligand binding domain alpha helical sandwich, alpha helical sandwich, transcription factor, dna coregulators, phosphorylation, nucleus, transcription-protein binding-inhibitor complex, transcription/protein binding/inhibitor
Biological sourceDanio Rerio
More
Total number of polymer chains2
Total molecular weight35954.01
Authors
Fischer, J.,Wang, T.T.,Kaldre, D.,Rochel, N.,Moras, D.,White, J.H.,Gleason, J.L. (deposition date: 2012-06-06, release date: 2012-09-19)
Primary citation
Fischer, J.,Wang, T.T.,Kaldre, D.,Rochel, N.,Moras, D.,White, J.H.,Gleason, J.L.
Synthetically accessible non-secosteroidal hybrid molecules combining vitamin d receptor agonism and histone deacetylase inhibition.
Chem.Biol., 19:963-971, 2012
PubMed: 22921063 (PDB entries with the same primary citation)
DOI: 10.1016/j.chembiol.2012.05.024
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.4 Å)
?

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.261160.4%4.5%2.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution