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Structure paper

TitleSynthesis of 2 alpha-heteroarylalkyl active vitamin d3 with therapeutic effect on enhancing bone mineral density in vivo
Journal, issue, pagesACS MED. CHEM. LETT., Vol. 4, Page 671-674, Year 2013
Publish dateJan 18, 2013 (structure data deposition date)
AuthorsMatsuo, M. / Hasegawa, A. / Takano, M. / Saito, H. / Kakuda, S. / Chida, T. / Takagi, K. / Ochiai, E. / Horie, K. / Harada, Y. ...Matsuo, M. / Hasegawa, A. / Takano, M. / Saito, H. / Kakuda, S. / Chida, T. / Takagi, K. / Ochiai, E. / Horie, K. / Harada, Y. / Takimoto-Kamimura, M. / Takenouchi, K. / Sawada, D. / Kittaka, A.
External linksACS MED. CHEM. LETT. / PubMed:24900728
MethodsX-ray diffraction
Resolution2.49 - 2.84 Å
Structure data

PDB-4ite:
Crystal structure of the human vitamin D receptor ligand binding domain complexed with 1alpha,25-Dihydroxy-2alpha-[2-(2H-tetrazol-2-yl)ethyl]vitamin D3
Method: X-RAY DIFFRACTION / Resolution: 2.49 Å

PDB-4itf:
Crystal structure of the human vitamin D receptor ligand binding domain complexed with 1alpha,25-Dihydroxy-2alpha-[2-(1H-tetrazole-1-yl)ethyl]vitamin D3
Method: X-RAY DIFFRACTION / Resolution: 2.84 Å

Chemicals

ChemComp-TEY:
(1R,2S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-2-[2-(1,2,3,4-tetrazol-2-yl)ethyl]cyclohexane-1,3-diol

ChemComp-HOH:
WATER

ChemComp-TFY:
(1R,2S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-2-[2-(1,2,3,4-tetrazol-1-yl)ethyl]cyclohexane-1,3-diol

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / Hormone receptor

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