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Structure paper

TitleSynthesis and SAR of thiophene containing kinesin spindle protein (KSP) inhibitors
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 17, Page 3562-3569, Year 2007
Publish dateApr 6, 2007 (structure data deposition date)
AuthorsPinkerton, A.B. / Lee, T.T. / Hoffman, T.Z. / Wang, Y. / Kahraman, M. / Cook, T.G. / Severance, D. / Gahman, T.C. / Noble, S.A. / Shiau, A.K. / Davis, R.L.
External linksBioorg. Med. Chem. Lett. / PubMed:17498954
MethodsX-ray diffraction
Resolution1.849 - 2.11 Å
Structure data

PDB-2pg2:
Crystal structure of KSP in complex with ADP and thiophene containing inhibitor 15
Method: X-RAY DIFFRACTION / Resolution: 1.849 Å

PDB-2uyi:
Crystal structure of KSP in complex with ADP and thiophene containing inhibitor 33
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-2uym:
Crystal structure of KSP in complex with ADP and thiophene containing inhibitor 37
Method: X-RAY DIFFRACTION / Resolution: 2.11 Å

Chemicals

ChemComp-MG:
Unknown entry

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

ChemComp-K01:
N,N-DIETHYL-2-[(2-THIENYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE

ChemComp-HOH:
WATER

ChemComp-K02:
(5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPHEN-2-YLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE

ChemComp-K03:
N,N-DIETHYL-5,5-DIMETHYL-2-[(2-THIENYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE

Source
  • homo sapiens (human)
KeywordsMOTOR PROTEIN / CELL CYCLE / kinesin spindle protein; KSP; Eg5; complex; inhibitor; thiophene / KSP / EG5 / COMPLEX / MITOSIS / THIOPHENE / INHIBITOR / NUCLEOTIDE-BINDING / KINESIN SPINDLE PROTEIN / CELL DIVISION / PHOSPHORYLATION / MICROTUBULE / COILED COIL / ATP-BINDING

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