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Structure paper

TitleThe discovery and optimization of hexahydro-2H-pyrano[3,2-c]quinolines (HHPQs) as potent and selective inhibitors of the mitotic kinesin-5.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 20, Page 1491-1495, Year 2010
Publish dateJan 5, 2010 (structure data deposition date)
AuthorsSchiemann, K. / Finsinger, D. / Zenke, F. / Amendt, C. / Knochel, T. / Bruge, D. / Buchstaller, H.P. / Emde, U. / Stahle, W. / Anzali, S.
External linksBioorg. Med. Chem. Lett. / PubMed:20149654
MethodsX-ray diffraction
Resolution2 Å
Structure data

PDB-3l9h:
X-ray structure of mitotic kinesin-5 (KSP, KIF11, Eg5)in complex with the hexahydro-2H-pyrano[3,2-c]quinoline EMD 534085
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

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

ChemComp-EMQ:
1-[2-(dimethylamino)ethyl]-3-{[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl}urea

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsMOTOR PROTEIN / mitotic spindle kinesin / EG5 / small molecule inhibitor / EMD 534085 / Acetylation / ATP-binding / Cell cycle / Cell division / Coiled coil / Microtubule / Mitosis / Nucleotide-binding / Phosphoprotein / Polymorphism

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