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Structure paper

TitleStructure-Based Design and Synthesis of N-Substituted 3-Amino-beta-Carboline Derivatives as Potent alpha beta-Tubulin Degradation Agents
Journal, issue, pagesJ. Med. Chem., Vol. 65, Page 2675-2693, Year 2022
Publish dateMay 26, 2021 (structure data deposition date)
AuthorsLi, Y. / Liu, Y. / Zhu, Z. / Yan, W. / Zhang, C. / Yang, Z. / Bai, P. / Tang, M. / Shi, M. / He, W. ...Li, Y. / Liu, Y. / Zhu, Z. / Yan, W. / Zhang, C. / Yang, Z. / Bai, P. / Tang, M. / Shi, M. / He, W. / Fu, S. / Liu, J. / Han, K. / Li, J. / Xie, L. / Ye, H. / Yang, J. / Chen, L.
External linksJ. Med. Chem. / Search PubMed
MethodsX-ray diffraction
Resolution2.39 Å
Structure data

PDB-7exc:
Crystal structure of T2R-TTL-1129A2 complex
Method: X-RAY DIFFRACTION / Resolution: 2.39 Å

Chemicals

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

ChemComp-MG:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-GOL:
GLYCEROL

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

ChemComp-JEL:
N-[[3-(1,3-benzodioxol-5-yloxy)phenyl]methyl]-9H-pyrido[3,4-b]indol-3-amine

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

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

ChemComp-HOH:
WATER

Source
  • rattus norvegicus (Norway rat)
  • gallus gallus (chicken)
  • sus scrofa (pig)
KeywordsCELL CYCLE / Tubulin / Cancer / CELL CYCLE-INHIBITOR complex

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