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Structure paper

TitleBoron Cluster-based Development of Potent Nonsecosteroidal Vitamin D Receptor Ligands: Direct Observation of Hydrophobic Interaction between Protein Surface and Carborane
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 133, Page 20933-20941, Year 2011
Publish dateOct 31, 2011 (structure data deposition date)
AuthorsFujii, S. / Masuno, H. / Taoda, Y. / Kano, A. / Wongmayura, A. / Nakabayashi, M. / Ito, N. / Shimizu, M. / Kawachi, E. / Hirano, T. ...Fujii, S. / Masuno, H. / Taoda, Y. / Kano, A. / Wongmayura, A. / Nakabayashi, M. / Ito, N. / Shimizu, M. / Kawachi, E. / Hirano, T. / Endo, Y. / Tanatani, A. / Kagechika, H.
External linksJ. Am. Chem. Soc. / PubMed:22066785
MethodsX-ray diffraction
Resolution1.93 - 2 Å
Structure data

PDB-3vjs:
Vitamin D receptor complex with a carborane compound
Method: X-RAY DIFFRACTION / Resolution: 1.93 Å

PDB-3vjt:
Vitamin D receptor complex with a carborane compound
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-10S:
1-(2-[(S)-2,4-Dihydroxybutoxy]ethyl)-12-(5-ethyl-5-hydroxyheptyl)-1,12-dicarba-closo-dodecaborane

ChemComp-HOH:
WATER

ChemComp-10R:
1-(2-[(R)-2,4-Dihydroxybutoxy]ethyl)-12-(5-ethyl-5-hydroxyheptyl)-1,12-dicarba-closo-dodecaborane

Source
  • rattus norvegicus (Norway rat)
  • homo sapiens (human)
KeywordsTRANSCRIPTION / nuclear receptor / synthetic agonist / carborane

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