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TitleDevelopment of Dihydrodibenzooxepine Peroxisome Proliferator-Activated Receptor (PPAR) Gamma Ligands of a Novel Binding Mode as Anticancer Agents: Effective Mimicry of Chiral Structures by Olefinic E/ Z-Isomers.
Journal, issue, pagesJ. Med. Chem., Vol. 61, Page 10067-10083, Year 2018
Publish dateJul 31, 2018 (structure data deposition date)
AuthorsYamamoto, K. / Tamura, T. / Henmi, K. / Kuboyama, T. / Yanagisawa, A. / Matsubara, M. / Takahashi, Y. / Suzuki, M. / Saito, J.I. / Ueno, K. / Shuto, S.
External linksJ. Med. Chem. / PubMed:30351933
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-6ad9:
Crystal Structure of PPARgamma Ligand Binding Domain in complex with dibenzooxepine derivative compound-9
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-KK4:
3-[(1E)-1-{8-[(4-methyl-2-propyl-1H-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6H)-ylidene}ethyl]-1,2,4-oxadiazol-5(4H)-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsNUCLEAR PROTEIN / PPARgamma Ligand Binding Domain Agonist

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