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TitleProtein Kinase Selectivity of a 3-Aminopyridin-2- One Based Fragment Library, Identification of 3-Amino-5-(Pyridin-4-Yl)Pyridin-2(1H)-One as a Novel Scaffold for Mps1 Inhibition
Journal, issue, pagesTo be Published
Publish dateMar 24, 2014 (structure data deposition date)
AuthorsFearon, D. / Bavetsias, V. / Bayliss, R. / Schmitt, J. / Westwood, I.M. / Van Montfort, R.L.M. / Jones, K.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.5 - 3 Å
Structure data

PDB-4cv8:
MPS1 kinase with 3-aminopyridin-2-one inhibitors
Method: X-RAY DIFFRACTION / Resolution: 3 Å

PDB-4cv9:
MPS1 kinase with 3-aminopyridin-2-one inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-4cva:
MPS1 kinase with 3-aminopyridin-2-one inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-3D7:
3-amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-2(1H)-one

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-W2K:
4-(4-Methylpiperazin-1-yl)-N-(2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin-3-yl)benzamide

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-WBI:
N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)-4-(piperidin-1-yl)benzamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / INHIBITOR / FRAGMENT

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