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Structure paper

TitlePLK1-Inhibitor Co-complex Structures via the Surface Entropy Reduction Approach and a DARPin-assisted Approach
Journal, issue, pagesActa Crystallogr. ,Sect. D, Vol. 81, Year 2025
Publish dateMay 16, 2025 (structure data deposition date)
AuthorsEberspaecher, U. / Schmitz, A.A. / Siemeister, G. / Bomer, U. / Bandeiras, T.M. / Matias, P.M. / Schulze, V.K. / Hillig, R.C.
External linksActa Crystallogr. ,Sect. D / Search PubMed
MethodsX-ray diffraction
Resolution2.243 Å
Structure data

PDB-9r8c:
CRYSTAL STRUCTURE OF WILD-TYPE PLK1 KINASE DOMAIN IN COMPLEX WITH THIAZOLIDINONE INHIBITOR COMPOUND 1 AND A SELECTIVE DARPIN
Method: X-RAY DIFFRACTION / Resolution: 2.243 Å

Chemicals

ChemComp-R78:
4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / DESIGN ANKYRIN REPEAT PROTEIN / DARPIN / SMALL MOLECULE INHIBITOR / DRUG DESIGN / KINASE / SERINE/THREONINE-PROTEIN KINASE

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