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TitleKinesin spindle protein (KSP) inhibitors. Part 4: Structure-based design of 5-alkylamino-3,5-diaryl-4,5-dihydropyrazoles as potent, water-soluble inhibitors of the mitotic kinesin KSP.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 16, Page 3175-3179, Year 2006
Publish dateFeb 14, 2006 (structure data deposition date)
AuthorsCox, C.D. / Torrent, M. / Breslin, M.J. / Mariano, B.J. / Whitman, D.B. / Coleman, P.J. / Buser, C.A. / Walsh, E.S. / Hamilton, K. / Schaber, M.D. ...Cox, C.D. / Torrent, M. / Breslin, M.J. / Mariano, B.J. / Whitman, D.B. / Coleman, P.J. / Buser, C.A. / Walsh, E.S. / Hamilton, K. / Schaber, M.D. / Lobell, R.B. / Tao, W. / South, V.J. / Kohl, N.E. / Yan, Y. / Kuo, L.C. / Prueksaritanont, T. / Slaughter, D.E. / Li, C. / Mahan, E. / Lu, B. / Hartman, G.D.
External linksBioorg. Med. Chem. Lett. / PubMed:16603356
MethodsX-ray diffraction
Resolution2.51 Å
Structure data

PDB-2g1q:
crystal structure of KSP in complex with inhibitor 9h
Method: X-RAY DIFFRACTION / Resolution: 2.51 Å

Chemicals

ChemComp-MG:
Unknown entry

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

ChemComp-N9H:
(5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)-N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsCELL CYCLE / KSP / KSP-inhibitor complex

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