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Structure paper

TitleNovel 3-aminopyrazole inhibitors of MK-2 discovered by scaffold hopping strategy.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 20, Page 1293-1297, Year 2010
Publish dateOct 28, 2009 (structure data deposition date)
AuthorsVelcicky, J. / Feifel, R. / Hawtin, S. / Heng, R. / Huppertz, C. / Koch, G. / Kroemer, M. / Moebitz, H. / Revesz, L. / Scheufler, C. / Schlapbach, A.
External linksBioorg. Med. Chem. Lett. / PubMed:20060294
MethodsX-ray diffraction
Resolution2.55 Å
Structure data

PDB-3kga:
Crystal structure of MAPKAP kinase 2 (MK2) complexed with a potent 3-aminopyrazole ATP site inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-LX9:
6-{3-amino-1-[3-(1H-indol-6-yl)phenyl]-1H-pyrazol-4-yl}-3,4-dihydroisoquinolin-1(2H)-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Small molecule inhibitor / 3-aminopyrazole scaffold / Scaffold hoping / ATP-site kinase inhibitor / Induced fit / Novel hydrophobic pocket / Activation loop deletion / Alternative splicing / ATP-binding / Kinase / Nucleotide-binding / Phosphoprotein / Polymorphism / Serine/threonine-protein kinase

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