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Structure paper

TitleDesign, Synthesis, Biological Activity, and Structural Analysis of Novel Des-C-Ring and Aromatic-D-Ring Analogues of 1 alpha ,25-Dihydroxyvitamin D 3.
Journal, issue, pagesJ. Med. Chem., Vol. 65, Page 13112-13124, Year 2022
Publish dateApr 1, 2022 (structure data deposition date)
AuthorsSeoane, S. / Gogoi, P. / Zarate-Ruiz, A. / Peluso-Iltis, C. / Peters, S. / Guiberteau, T. / Maestro, M.A. / Perez-Fernandez, R. / Rochel, N. / Mourino, A.
External linksJ. Med. Chem. / PubMed:36166643
MethodsX-ray diffraction
Resolution2.6 - 2.62 Å
Structure data

PDB-7zfg:
VDR complex with aromatic D-ring analog
Method: X-RAY DIFFRACTION / Resolution: 2.62 Å

PDB-7zfx:
VDR complex with Aromatic-D-Ring Analog
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-ACT:
ACETATE ION

ChemComp-IV5:
(1R,3S,5Z)-4-methylidene-5-[(E)-9-methyl-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]-9-oxidanyl-dec-2-enylidene]cyclohexane-1,3-diol

ChemComp-HOH:
WATER

ChemComp-IV1:
(1R,3S,5Z)-5-[(E)-3-[3,5-bis(6-methyl-6-oxidanyl-heptyl)phenyl]prop-2-enylidene]-4-methylidene-cyclohexane-1,3-diol

Source
  • danio rerio (zebrafish)
  • homo sapiens (human)
KeywordsTRANSCRIPTION / complex / agonist / vitamin D receptor

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