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TitleStructure-Guided Design, Synthesis, and Biological Evaluation of (2-(1H-Indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl) Methanone (ABI-231) Analogues Targeting the Colchicine Binding Site in Tubulin.
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 6734-6750, Year 2019
Publish dateMar 4, 2019 (structure data deposition date)
AuthorsWang, Q. / Arnst, K.E. / Wang, Y. / Kumar, G. / Ma, D. / White, S.W. / Miller, D.D. / Li, W.
External linksJ. Med. Chem. / PubMed:31251599
MethodsX-ray diffraction
Resolution2.3 - 3.003 Å
Structure data

PDB-6o5m:
Tubulin-RB3_SLD-TTL in complex with compound 10bb
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-6o5n:
Tubulin-RB3_SLD-TTL in complex with compound 10ab
Method: X-RAY DIFFRACTION / Resolution: 3.003 Å

PDB-6o61:
Tubulin-RB3_SLD-TTL in complex with compound ABI-231
Method: X-RAY DIFFRACTION / Resolution: 2.599 Å

Chemicals

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

ChemComp-CA:
Unknown entry

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-G8K:
[2-(1H-indol-4-yl)-1H-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone

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

ChemComp-HOH:
WATER

ChemComp-QW9:
[2-(4-methyl-1H-indol-3-yl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone

ChemComp-KUM:
[2-(1H-indol-3-yl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone

Source
  • homo sapiens (human)
  • gallus gallus (chicken)
  • sus scrofa (pig)
KeywordsCELL CYCLE / Microtubule Inhibitor / Colchicine / Cancer

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