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Structure paper

TitleInhibitors of human mitotic kinesin Eg5: Characterization of the 4-phenyl-tetrahydroisoquinoline lead series
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 16, Page 2095-2100, Year 2006
Publish dateJan 9, 2006 (structure data deposition date)
AuthorsTarby, C.M. / Kaltenbach III, R.F. / Huynh, T. / Pudzianowski, A. / Shen, H. / Ortega-Nanos, M. / Sheriff, S. / Newitt, J.A. / McDonnell, P.A. / Burford, N. ...Tarby, C.M. / Kaltenbach III, R.F. / Huynh, T. / Pudzianowski, A. / Shen, H. / Ortega-Nanos, M. / Sheriff, S. / Newitt, J.A. / McDonnell, P.A. / Burford, N. / Fairchild, C.R. / Vaccaro, W. / Chen, Z. / Borzilleri, R.M. / Naglich, J. / Lombardo, L.J. / Gottardis, M. / Trainor, G.L. / Roussell, D.L.
External linksBioorg. Med. Chem. Lett. / PubMed:16458511
MethodsX-ray diffraction
Resolution2.1 Å
Structure data

PDB-2fme:
Crystal structure of the mitotic kinesin eg5 (ksp) in complex with mg-adp and (r)-4-(3-hydroxyphenyl)-n,n,7,8-tetramethyl-3,4-dihydroisoquinoline-2(1h)-carboxamide
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-3QC:
(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE

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

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsCELL CYCLE / Eg5 KSP Mg-ADP Complex Inhibitor

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