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Structure paper

TitleHigh-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design.
Journal, issue, pagesBiochem. Biophys. Res. Commun., Vol. 534, Page 330-336, Year 2021
Publish dateOct 16, 2020 (structure data deposition date)
AuthorsXiao, Q. / Xue, T. / Shuai, W. / Wu, C. / Zhang, Z. / Zhang, T. / Zeng, S. / Sun, B. / Wang, Y.
External linksBiochem. Biophys. Res. Commun. / PubMed:33272565
MethodsX-ray diffraction
Resolution2.394 - 2.85 Å
Structure data

PDB-7dad:
EPD in complex with tubulin
Method: X-RAY DIFFRACTION / Resolution: 2.85 Å

PDB-7dae:
EPB in complex with tubulin
Method: X-RAY DIFFRACTION / Resolution: 2.394 Å

PDB-7daf:
IXA in complex with tubulin
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

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

ChemComp-MG:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-CL:
Unknown entry

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

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

ChemComp-EPD:
EPOTHILONE D

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

ChemComp-EPB:
7,11-DIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-[1-METHYL-2-(2-METHYL-THIAZOL-4-YL)VINYL]-4,17-DIOXABICYCLO[14.1.0]HEPTADECANE-5,9-DIONE

ChemComp-HOH:
WATER

ChemComp-GZX:
(1~{S},3~{S},7~{S},10~{R},11~{S},12~{S},16~{R})-8,8,10,12,16-pentamethyl-3-[(~{E})-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione / medication*YM

Source
  • mus musculus (house mouse)
  • gallus gallus (chicken)
  • sus scrofa (pig)
KeywordsCELL CYCLE / EPD / tubulin / protein-drug complex / Phomopsin A

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