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TitlePLK1-Inhibitor Co-complex Structures via the Surface Entropy Reduction Approach and a DARPin-assisted Approach
Journal, issue, pagesActa Crystallographica Section D, Vol. 81, Year 2025
Publish dateApr 28, 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 Crystallographica Section D / Search PubMed
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-9r1w:
PLK1 SURFACE ENTROPY REDUCTION (SER) MUTANT IN COMPLEX WITH THIAZOLIDINONE INHIBITOR COMPOUND 1
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

PDB-1jcp:
Solution structure of the lactam analogue EDap of HIV gp41 600-612 loop.

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / SURFACE ENTROPY REDUCTION / SER / SMALL MOLECULE INHIBITOR / DRUG DESIGN / KINASE / SERINE/THREONINE-PROTEIN KINASE

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