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Structure paper

TitleDiscovery of Potent and Selective MRCK Inhibitors with Therapeutic Effect on Skin Cancer.
Journal, issue, pagesCancer Res., Vol. 78, Page 2096-2114, Year 2018
Publish dateAug 21, 2017 (structure data deposition date)
AuthorsUnbekandt, M. / Belshaw, S. / Bower, J. / Clarke, M. / Cordes, J. / Crighton, D. / Croft, D.R. / Drysdale, M.J. / Garnett, M.J. / Gill, K. ...Unbekandt, M. / Belshaw, S. / Bower, J. / Clarke, M. / Cordes, J. / Crighton, D. / Croft, D.R. / Drysdale, M.J. / Garnett, M.J. / Gill, K. / Gray, C. / Greenhalgh, D.A. / Hall, J.A.M. / Konczal, J. / Lilla, S. / McArthur, D. / McConnell, P. / McDonald, L. / McGarry, L. / McKinnon, H. / McMenemy, C. / Mezna, M. / Morrice, N.A. / Munro, J. / Naylor, G. / Rath, N. / Schuttelkopf, A.W. / Sime, M. / Olson, M.F.
External linksCancer Res. / PubMed:29382705
MethodsX-ray diffraction
Resolution1.68 - 2 Å
Structure data

PDB-5ote:
MRCK beta in complex with BDP-00008900
Method: X-RAY DIFFRACTION / Resolution: 1.68 Å

PDB-5otf:
MRCK beta in complex with BDP-00009066
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-AQE:
2-[4-[(6~{S})-1,8-diazaspiro[5.5]undecan-8-yl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole

ChemComp-CL:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-AQ5:
(6~{S})-8-(3-pyrimidin-4-yl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,8-diazaspiro[5.5]undecane

Source
  • homo sapiens (human)
KeywordsCELL INVASION / MYOTONIC DYSTROPHY KINASE-RELATED CDC42-BINDING KINASE / METASTASIS / TRANSFERASE

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