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Structure paper

TitleCevipabulin-tubulin complex reveals a novel agent binding site on alpha-tubulin with tubulin degradation effect.
Journal, issue, pagesSci Adv, Vol. 7, Year 2021
Publish dateJul 20, 2020 (structure data deposition date)
AuthorsYang, J. / Yu, Y. / Li, Y. / Yan, W. / Ye, H. / Niu, L. / Tang, M. / Wang, Z. / Yang, Z. / Pei, H. ...Yang, J. / Yu, Y. / Li, Y. / Yan, W. / Ye, H. / Niu, L. / Tang, M. / Wang, Z. / Yang, Z. / Pei, H. / Wei, H. / Zhao, M. / Wen, J. / Yang, L. / Ouyang, L. / Wei, Y. / Chen, Q. / Li, W. / Chen, L.
External linksSci Adv / PubMed:34138737
MethodsX-ray diffraction
Resolution2.446 - 2.611 Å
Structure data

PDB-7cld:
Crystal structure of T2R-TTL-Cevipabulin complex
Method: X-RAY DIFFRACTION / Resolution: 2.611 Å

PDB-7dp8:
Crystal structure of T2R-TTL-Cevipabulin-eribulin complex
Method: X-RAY DIFFRACTION / Resolution: 2.446 Å

Chemicals

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

ChemComp-MG:
Unknown entry

ChemComp-CA:
Unknown entry

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

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

ChemComp-G2X:
6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-N-[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

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

ChemComp-HOH:
WATER

ChemComp-GOL:
GLYCEROL

ChemComp-6K9:
(1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name)

Source
  • rattus norvegicus (Norway rat)
  • gallus gallus (chicken)
  • sus scrofa (pig)
KeywordsSTRUCTURAL PROTEIN / tubulin inhibitor / tublin

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