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TitleAn Allosteric Inhibitor Scaffold Targeting the PIF-Pocket of Atypical Protein Kinase C Isoforms.
Journal, issue, pagesACS Chem. Biol., Vol. 12, Page 564-573, Year 2017
Publish dateDec 22, 2016 (structure data deposition date)
AuthorsArencibia, J.M. / Frohner, W. / Krupa, M. / Pastor-Flores, D. / Merker, P. / Oellerich, T. / Neimanis, S. / Schmithals, C. / Koberle, V. / Su, E. ...Arencibia, J.M. / Frohner, W. / Krupa, M. / Pastor-Flores, D. / Merker, P. / Oellerich, T. / Neimanis, S. / Schmithals, C. / Koberle, V. / Su, E. / Zeuzem, S. / Stark, H. / Piiper, A. / Odadzic, D. / Schulze, J.O. / Biondi, R.M.
External linksACS Chem. Biol. / PubMed:28045490
MethodsX-ray diffraction
Resolution1.41 Å
Structure data

PDB-5mrd:
Human PDK1-PKCiota Kinase Chimera in Complex with Allosteric Compound PS267 Bound to the PIF-Pocket
Method: X-RAY DIFFRACTION / Resolution: 1.41 Å

Chemicals

ChemComp-S26:
ethyl

ChemComp-DTT:
2,3-DIHYDROXY-1,4-DITHIOBUTANE

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-ATP:
ADENOSINE-5'-TRIPHOSPHATE / ATP, energy-carrying molecule*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Protein Kinase / Allosteric Regulation / Small Compounds / PIF-pocket

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