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Structure paper

TitleMolecular Mechanism of Regulation of the Atypical Protein Kinase C by N-Terminal Domains and an Allosteric Small Compound.
Journal, issue, pagesChem. Biol., Vol. 21, Page 754-, Year 2014
Publish dateMar 11, 2014 (structure data deposition date)
AuthorsZhang, H. / Neimanis, S. / Lopez-Garcia, L.A. / Arencibia, J.M. / Amon, S. / Stroba, A. / Zeuzem, S. / Proschak, E. / Stark, H. / Bauer, A.F. ...Zhang, H. / Neimanis, S. / Lopez-Garcia, L.A. / Arencibia, J.M. / Amon, S. / Stroba, A. / Zeuzem, S. / Proschak, E. / Stark, H. / Bauer, A.F. / Busschots, K. / Jorgensen, T.J. / Engel, M. / Schulze, J.O. / Biondi, R.M.
External linksChem. Biol. / PubMed:24836908
MethodsX-ray diffraction
Resolution1.25 - 1.85 Å
Structure data

PDB-4ct1:
Human PDK1-PKCzeta Kinase Chimera in Complex with Allosteric Compound PS315 Bound to the PIF-Pocket
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-4ct2:
Human PDK1-PKCzeta Kinase Chimera
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

Chemicals

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

ChemComp-31S:
(2Z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid

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

ChemComp-DTD:
DITHIANE DIOL

ChemComp-HOH:
WATER

ChemComp-NA:
Unknown entry

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / ALLOSTERIC REGULATION / ALLOSTERIC SITE / PHOSPHORYLATION / AGC PROTEIN KINASE / CHIMERIC PROTEIN

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