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TitleExperimental and Theoretical Evaluation of the Ethynyl Moiety as a Halogen Bioisostere.
Journal, issue, pagesAcs Chem. Biol., Vol. 10, Page 2725-, Year 2015
Publish dateJul 3, 2015 (structure data deposition date)
AuthorsWilcken, R. / Zimmermann, M.O. / Bauer, M.R. / Rutherford, T.J. / Fersht, A.R. / Joerger, A.C. / Boeckler, F.M.
External linksAcs Chem. Biol. / PubMed:26378745
MethodsX-ray diffraction
Resolution1.4 Å
Structure data

PDB-5a7b:
Structure of the p53 cancer Y220C bound to the stabilizing small molecule PhiKan5211
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-KMN:
2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-ethynyl-4-(3-phenoxyprop-1-ynyl)phenol

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsANTITUMOR PROTEIN / CANCER / TUMOR SUPPRESSION / ETHYNYL / DNA BINDING / CANCER THERAPY / SMALL MOLECULE STABILIZERS / MOLECULAR CHAPERONE

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