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Structure paper

TitleA novel small-molecule MRCK inhibitor blocks cancer cell invasion.
Journal, issue, pagesCell Commun. Signal, Vol. 12, Page 54-54, Year 2014
Publish dateAug 10, 2014 (structure data deposition date)
AuthorsUnbekandt, M. / Croft, D.R. / Crighton, D. / Mezna, M. / McArthur, D. / McConnell, P. / Schuttelkopf, A.W. / Belshaw, S. / Pannifer, A. / Sime, M. ...Unbekandt, M. / Croft, D.R. / Crighton, D. / Mezna, M. / McArthur, D. / McConnell, P. / Schuttelkopf, A.W. / Belshaw, S. / Pannifer, A. / Sime, M. / Bower, J. / Drysdale, M. / Olson, M.F.
External linksCell Commun. Signal / PubMed:25288205
MethodsX-ray diffraction
Resolution1.71 - 1.73 Å
Structure data

PDB-4uak:
MRCK beta in complex with ADP
Method: X-RAY DIFFRACTION / Resolution: 1.73 Å

PDB-4ual:
MRCK beta in complex with BDP00005290
Method: X-RAY DIFFRACTION / Resolution: 1.71 Å

Chemicals

ChemComp-ADP:
ADENOSINE-5'-DIPHOSPHATE / ADP, energy-carrying molecule*YM

ChemComp-MG:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-3FV:
4-chloro-1-(piperidin-4-yl)-N-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-1H-pyrazole-3-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / myotonic dystrophy kinase-related CDC42-binding kinase / metastasis / cell invasion

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