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Structure paper

TitlePharmacological Profile of BI 847325, an Orally Bioavailable, ATP-Competitive Inhibitor of MEK and Aurora Kinases.
Journal, issue, pagesMol. Cancer Ther., Vol. 15, Page 2388-2398, Year 2016
Publish dateNov 25, 2015 (structure data deposition date)
AuthorsSini, P. / Gurtler, U. / Zahn, S.K. / Baumann, C. / Rudolph, D. / Baumgartinger, R. / Strauss, E. / Haslinger, C. / Tontsch-Grunt, U. / Waizenegger, I.C. ...Sini, P. / Gurtler, U. / Zahn, S.K. / Baumann, C. / Rudolph, D. / Baumgartinger, R. / Strauss, E. / Haslinger, C. / Tontsch-Grunt, U. / Waizenegger, I.C. / Solca, F. / Bader, G. / Zoephel, A. / Treu, M. / Reiser, U. / Garin-Chesa, P. / Boehmelt, G. / Kraut, N. / Quant, J. / Adolf, G.R.
External linksMol. Cancer Ther. / PubMed:27496137
MethodsX-ray diffraction
Resolution1.6 - 2.7 Å
Structure data

PDB-5eyk:
CRYSTAL STRUCTURE OF AURORA B IN COMPLEX WITH BI 847325
Method: X-RAY DIFFRACTION / Resolution: 1.93 Å

PDB-5eym:
MEK1 IN COMPLEX WITH BI 847325
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-5k3y:
Crystal structure of AuroraB/INCENP in complex with BI 811283
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

Chemicals

ChemComp-5U5:
3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide

ChemComp-HOH:
WATER

ChemComp-CA:
Unknown entry

ChemComp-6Q4:
N-methyl-N-(1-methylpiperidin-4-yl)-4-{[4-({(1R,2S)-2-[(propan-2-yl)carbamoyl]cyclopentyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzamide

Source
  • xenopus laevis (African clawed frog)
  • homo sapiens (human)
KeywordsTRANSFERASE / KINASE / Inhibitor

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