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TitleHigh-throughput kinetic analysis for target-directed covalent ligand discovery
Journal, issue, pagesTo be published
Publish dateAug 4, 2017 (structure data deposition date)
AuthorsCraven, G. / Affron, D.P. / Allen, C.E. / Greener, J.G. / Morgan, R.M.L. / Matthies, S. / Armstrong, A. / Mann, D.J.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.73 - 2 Å
Structure data

PDB-5oo1:
Cdk2(F80C, C177A) covalent adduct with C37 at F80C
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-5oo3:
Cdk2(F80C, C177A) with covalent ligand at F80C
Method: X-RAY DIFFRACTION / Resolution: 1.73 Å

Chemicals

ChemComp-9Z2:
~{N}-(4-pyrimidin-2-ylphenyl)propanamide

ChemComp-HOH:
WATER

ChemComp-9ZB:
1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Covalent inhibitor / Cysteine modification / Kinase / Allosteric inhibitor

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