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Structure paper

Title25 S-Adamantyl-23-yne-26,27-dinor-1 alpha ,25-dihydroxyvitamin D3: Synthesis, Tissue Selective Biological Activities, and X-ray Crystal Structural Analysis of Its Vitamin D Receptor Complex.
Journal, issue, pagesJ. Med. Chem., Vol. 61, Page 6658-6673, Year 2018
Publish dateJul 12, 2017 (structure data deposition date)
AuthorsOtero, R. / Ishizawa, M. / Numoto, N. / Ikura, T. / Ito, N. / Tokiwa, H. / Mourino, A. / Makishima, M. / Yamada, S.
External linksJ. Med. Chem. / PubMed:29989817
MethodsX-ray diffraction
Resolution2 - 2.1 Å
Structure data

PDB-5xzf:
Vitamin D receptor with a synthetic ligand ADRO1
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-5xzh:
Vitamin D receptor with a synthetic ligand ADRO2
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-8J0:
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,6S)-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol

ChemComp-FMT:
FORMIC ACID

ChemComp-HOH:
WATER

ChemComp-8J3:
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,6R)-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol

Source
  • rattus norvegicus (Norway rat)
  • homo sapiens (human)
KeywordsTRANSCRIPTION / Vitamin D receptor / vitamin D analogue / adamantan

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