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Structure paper

TitleQuinazolinone-Based Anticancer Agents: Synthesis, Antiproliferative SAR, Antitubulin Activity, and Tubulin Co-crystal Structure.
Journal, issue, pagesJ. Med. Chem., Vol. 61, Page 1031-1044, Year 2018
Publish dateAug 17, 2017 (structure data deposition date)
AuthorsDohle, W. / Jourdan, F.L. / Menchon, G. / Prota, A.E. / Foster, P.A. / Mannion, P. / Hamel, E. / Thomas, M.P. / Kasprzyk, P.G. / Ferrandis, E. ...Dohle, W. / Jourdan, F.L. / Menchon, G. / Prota, A.E. / Foster, P.A. / Mannion, P. / Hamel, E. / Thomas, M.P. / Kasprzyk, P.G. / Ferrandis, E. / Steinmetz, M.O. / Leese, M.P. / Potter, B.V.L.
External linksJ. Med. Chem. / PubMed:29227648
MethodsX-ray diffraction
Resolution2.11 Å
Structure data

PDB-5osk:
Tubulin-7j complex
Method: X-RAY DIFFRACTION / Resolution: 2.11 Å

Chemicals

ChemComp-GTP:
GUANOSINE-5'-TRIPHOSPHATE / GTP, energy-carrying molecule*YM

ChemComp-MG:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-GDP:
GUANOSINE-5'-DIPHOSPHATE / GDP, energy-carrying molecule*YM

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-A9Q:
3-(2,5-Dimethoxybenzyl)-7-sulfamoyloxy-6-methoxy-3,4-dihydroquinazolin-2(1H)-one

ChemComp-CA:
Unknown entry

ChemComp-IMD:
IMIDAZOLE

ChemComp-ACP:
PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER / AMP-PCP, energy-carrying molecule analogue*YM

ChemComp-HOH:
WATER

Source
  • rattus norvegicus (Norway rat)
  • gallus gallus (chicken)
  • bos taurus (domestic cattle)
KeywordsCELL CYCLE / TUBULIN FOLD / CYTOSKELETON / MICROTUBULE QUINAZOLINONES

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