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TitleHarnessing Fluorine-Sulfur Contacts and Multipolar Interactions for the Design of P53 Mutant Y220C Rescue Drugs.
Journal, issue, pagesAcs Chem. Biol., Vol. 11, Page 2265-, Year 2016
Publish dateMay 13, 2016 (structure data deposition date)
AuthorsBauer, M.R. / Jones, R.N. / Baud, M.G.J. / Wilcken, R. / Boeckler, F.M. / Fersht, A.R. / Joerger, A.C. / Spencer, J.
External linksAcs Chem. Biol. / PubMed:27267810
MethodsX-ray diffraction
Resolution1.35 - 1.48 Å
Structure data

PDB-5g4m:
Crystal structure of the p53 cancer mutant Y220C in complex with a monofluorinated derivative of the small molecule stabilizer Phikan083
Method: X-RAY DIFFRACTION / Resolution: 1.38 Å

PDB-5g4n:
Crystal structure of the p53 cancer mutant Y220C in complex with a difluorinated derivative of the small molecule stabilizer Phikan083
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

PDB-5g4o:
Crystal structure of the p53 cancer mutant Y220C in complex with a trifluorinated derivative of the small molecule stabilizer Phikan083
Method: X-RAY DIFFRACTION / Resolution: 1.48 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-O82:
1-[9-(2-fluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine

ChemComp-GOL:
GLYCEROL

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-O83:
1-[9-(2,2-difluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine

ChemComp-O80:
N,N-dimethyl-1-[9-(2,2,2-trifluoroethyl)-9H-carbazol-3-yl]methanamine

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / P53 / CANCER / TUMOR SUPPRESSION / DNA BINDING / CANCER THERAPY / SMALL-MOLECULE STABILIZERS / MOLECULAR CHAPERONE / FLUORINE-PROTEIN INTERACTIONS

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