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Structure paper

TitleA fragment-based approach to developing inhibitors of the cryptic pocket of the Polo-Like Kinase 1 Polo-Box Domain.
Journal, issue, pagesTo Be Published
Publish dateMar 10, 2017 (structure data deposition date)
AuthorsKunciw, D.L. / De Fusco, C. / Rossmann, M. / Stokes, J.E. / Renzetti, A. / Sore, H.F. / Hyvonen, M. / Spring, D.R.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.81 - 2.68 Å
Structure data

PDB-5nei:
The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with JES107
Method: X-RAY DIFFRACTION / Resolution: 2.68 Å

PDB-5nmm:
The structure of the polo-box domain (PBD) of Plk1 in complex with Alpha-Bromo-3-Iodotoluene.
Method: X-RAY DIFFRACTION / Resolution: 2.02 Å

PDB-5nn2:
The structure of the polo-box domain (PBD) of Plk1 in complex with Z228588490
Method: X-RAY DIFFRACTION / Resolution: 1.81 Å

Chemicals

ChemComp-8VB:
2-[[3-[[5-(3-iodanylphenyl)carbonylthiophen-2-yl]carbonylamino]phenyl]methyl]propanedioic acid

ChemComp-HOH:
WATER

ChemComp-8Z5:
Alpha-Bromo-3-Iodotoluene

ChemComp-Z24:
(3~{R},5~{R})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / PLK1 / PBD1 / mitosis / small molecule

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