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Structure paper

TitleStructural Basis for Inhibition of Eg5 by Dihydropyrimidines: Stereoselectivity of Antimitotic Inhibitors Enastron, Dimethylenastron and Fluorastrol.
Journal, issue, pagesJ. Med. Chem., Vol. 53, Page 5676-, Year 2010
Publish dateFeb 26, 2010 (structure data deposition date)
AuthorsKaan, H.Y.K. / Ulaganathan, V. / Rath, O. / Prokopcova, H. / Dallinger, D. / Kappe, C.O. / Kozielski, F.
External linksJ. Med. Chem. / PubMed:20597485
MethodsX-ray diffraction
Resolution1.9 - 2.4 Å
Structure data

PDB-2x7c:
Crystal structure of human kinesin Eg5 in complex with (S)-enastron
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-2x7d:
Crystal structure of human kinesin Eg5 in complex with (S)-dimethylenastron
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-2x7e:
Crystal structure of human kinesin Eg5 in complex with (R)-fluorastrol
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

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

ChemComp-MG:
Unknown entry

ChemComp-KZ9:
(S)-4-(3-HYDROXYPHENYL)-2-THIOXO-1,2,3,4,7,8-HEXAHYDROQUINAZOLIN-5(6H)-ONE

ChemComp-HOH:
WATER

ChemComp-EGB:
(4S)-4-(3-HYDROXYPHENYL)-7,7-DIMETHYL-2-THIOXO-2,3,4,6,7,8-HEXAHYDROQUINAZOLIN-5(1H)-ONE

ChemComp-X7E:
(4R)-5-[(S)-(3,4-DIFLUOROPHENYL)(HYDROXY)METHYL]-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-3,4-DIHYDROPYRIMIDINE-2(1H)-THIONE

Source
  • homo sapiens (human)
KeywordsCELL CYCLE / MICROTUBULE / ATP-BINDING / MOTOR PROTEIN / CELL DIVISION / MITOSIS / INHIBITOR / NUCLEOTIDE-BINDING / KSP

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