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Structure paper

TitleBenzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design.
Journal, issue, pagesJ Phys Chem Lett, Vol. 7, Page 3452-3457, Year 2016
Publish dateDec 8, 2014 (structure data deposition date)
AuthorsTan, Y.S. / Reeks, J. / Brown, C.J. / Thean, D. / Ferrer Gago, F.J. / Yuen, T.Y. / Goh, E.T. / Lee, X.E. / Jennings, C.E. / Joseph, T.L. ...Tan, Y.S. / Reeks, J. / Brown, C.J. / Thean, D. / Ferrer Gago, F.J. / Yuen, T.Y. / Goh, E.T. / Lee, X.E. / Jennings, C.E. / Joseph, T.L. / Lakshminarayanan, R. / Lane, D.P. / Noble, M.E. / Verma, C.S.
External linksJ Phys Chem Lett / PubMed:27532490
MethodsX-ray diffraction
Resolution1.45 - 1.6 Å
Structure data

PDB-4ud7:
Structure of the stapled peptide YS-02 bound to MDM2
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-4ue1:
Structure of the stapled peptide YS-01 bound to MDM2
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

Chemicals

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
  • synthetic construct (others)
KeywordsLYASE / MDM2 / STAPLED PEPTIDE / P53 / LIGASE/PEPTIDE / LIGASE-PEPTIDE COMPLEX

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