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Structure paper

TitleDiscovery of Potent Vitamin D Receptor Antagonist
Journal, issue, pagesTo Be Published
Publish dateJun 24, 2017 (structure data deposition date)
AuthorsKato, A. / Tabei, M. / Itoh, T. / Yamamoto, K.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.8 Å
Structure data

PDB-5xuq:
Crystal structure of VDR-LBD complexed with an antagonist, 2-methylidene-19,26,27-trinor-22-(S)-butyl-1-hydroxy-25-oxo-25-(1H-pyrrol-2-yl)- vitamin D3
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-8FF:
(4~{S})-4-[(1~{R})-1-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(1~{H}-pyrrol-2-yl)octan-1-one

ChemComp-HOH:
WATER

Source
  • rattus norvegicus (Norway rat)
  • homo sapiens (human)
KeywordsTRANSCRIPTION / Vitamin D receptor antagonist helix 10/11

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