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TitleDesign, Synthesis, and Biological Evaluation of Stable Colchicine-Binding Site Tubulin Inhibitors 6-Aryl-2-benzoyl-pyridines as Potential Anticancer Agents.
Journal, issue, pagesJ. Med. Chem., Vol. 64, Page 12049-12074, Year 2021
Publish dateJun 13, 2020 (structure data deposition date)
AuthorsChen, H. / Deng, S. / Albadari, N. / Yun, M.K. / Zhang, S. / Li, Y. / Ma, D. / Parke, D.N. / Yang, L. / Seagroves, T.N. ...Chen, H. / Deng, S. / Albadari, N. / Yun, M.K. / Zhang, S. / Li, Y. / Ma, D. / Parke, D.N. / Yang, L. / Seagroves, T.N. / White, S.W. / Miller, D.D. / Li, W.
External linksJ. Med. Chem. / PubMed:34378386
MethodsX-ray diffraction
Resolution2.32 - 2.6 Å
Structure data

PDB-6xer:
Tubulin-RB3_SLD in complex with colchicine
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-6xes:
Tubulin-RB3_SLD in complex with compound 40a
Method: X-RAY DIFFRACTION / Resolution: 2.32 Å

PDB-6xet:
Tubulin-RB3_SLD in complex with compound 60c
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

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

ChemComp-MG:
Unknown entry

ChemComp-SO4:
SULFATE ION

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

ChemComp-LOC:
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide

ChemComp-HOH:
WATER

ChemComp-TU3:
[6-(3-hydroxy-4-methylphenyl)pyrazin-2-yl](3,4,5-trimethoxyphenyl)methanone

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-TU2:
[3-fluoro-6-(3-hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone

Source
  • rattus norvegicus (Norway rat)
  • sus scrofa (pig)
KeywordsCELL CYCLE/INHIBITOR / MICROTUBULE INHIBITOR / COLCHICINE / CELL CYCLE / CANCER / CELL CYCLE-INHIBITOR COMPLEX

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