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Structure paper

TitleSynthetically accessible non-secosteroidal hybrid molecules combining vitamin d receptor agonism and histone deacetylase inhibition.
Journal, issue, pagesChem. Biol., Vol. 19, Page 963-971, Year 2012
Publish dateJun 6, 2012 (structure data deposition date)
AuthorsFischer, J. / Wang, T.T. / Kaldre, D. / Rochel, N. / Moras, D. / White, J.H. / Gleason, J.L.
External linksChem. Biol. / PubMed:22921063
MethodsX-ray diffraction
Resolution2.33 - 2.4 Å
Structure data

PDB-4fhh:
Development of synthetically accessible non-secosteroidal hybrid molecules combining vitamin D receptor agonism and histone deacetylase inhibition
Method: X-RAY DIFFRACTION / Resolution: 2.33 Å

PDB-4fhi:
Development of synthetically accessible non-secosteroidal hybrid molecules combining vitamin D receptor agonism and histone deacetylase inhibition
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-0U3:
N-hydroxy-2-{4-[3-(4-{[(2S)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide

ChemComp-HOH:
WATER

ChemComp-0S4:
N-hydroxy-2-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide

Source
  • danio rerio (zebrafish)
  • homo sapiens (human)
KeywordsTranscription/protein binding/inhibitor / Ligand binding domain / apha helical sandwich / alpha helical sandwich / transcription factor / ADN Coregulators / phosphorylation and HDAC inhibitor / nucleus / Transcription-protein binding-inhibitor complex / ligand binding domain Alpha helical sandwich / DNA coregulators / phosphorylation

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