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Structure paper

TitleLithocholic Acid Derivatives as Potent Vitamin D Receptor Agonists.
Journal, issue, pagesJ. Med. Chem., Vol. 64, Page 516-526, Year 2021
Publish dateMay 26, 2020 (structure data deposition date)
AuthorsSasaki, H. / Masuno, H. / Kawasaki, H. / Yoshihara, A. / Numoto, N. / Ito, N. / Ishida, H. / Yamamoto, K. / Hirata, N. / Kanda, Y. ...Sasaki, H. / Masuno, H. / Kawasaki, H. / Yoshihara, A. / Numoto, N. / Ito, N. / Ishida, H. / Yamamoto, K. / Hirata, N. / Kanda, Y. / Kawachi, E. / Kagechika, H. / Tanatani, A.
External linksJ. Med. Chem. / PubMed:33369416
MethodsX-ray diffraction
Resolution1.9 - 2 Å
Structure data

PDB-7c7v:
Vitamin D3 receptor/lithochoric acid derivative complex
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-7c7w:
Vitamin D3 receptor/lithochoric acid derivative complex
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-FKC:
(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

ChemComp-FMT:
FORMIC ACID

ChemComp-HOH:
WATER

ChemComp-FKF:
(4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

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

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