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Structure paper

TitleThymoquinone Blocks pSer/pThr Recognition by Plk1 Polo-Box Domain As a Phosphate Mimic
Journal, issue, pagesAcs Chem. Biol., Vol. 8, Page 303-308, Year 2013
Publish dateSep 19, 2012 (structure data deposition date)
AuthorsYin, Z. / Song, Y. / Rehse, P.H.
External linksAcs Chem. Biol. / PubMed:23135290
MethodsX-ray diffraction
Resolution1.93 - 2.75 Å
Structure data

PDB-4h5x:
human Plk1-PBD with a glycerol bound at the phophopeptide binding site
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-4h71:
Human Plk1-PBD in complex with Poloxime ((E)-4-(hydroxyimino)-2-isopropyl-5-methylcyclohexa-2,5-dienone)
Method: X-RAY DIFFRACTION / Resolution: 1.93 Å

PDB-4hco:
Human Plk1-PBD in complex with Thymoquinone at the phophopeptide binding site
Method: X-RAY DIFFRACTION / Resolution: 2.75 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-PXE:
2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione 1-oxime

ChemComp-IMW:
2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Kinase / TRANSFERASE/TRANSFERASE INHIBITOR / TRANSFERASE-TRANSFERASE INHIBITOR complex

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