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Structure paper

TitleThe compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
Journal, issue, pagesJ. Biol. Chem., Year 2018
Publish dateApr 27, 2017 (structure data deposition date)
AuthorsJianhong, Y. / Wei, Y. / Yamei, Y. / Yuxi, W. / Tao, Y. / Linlin, X. / Xue, Y. / Caofeng, L. / Zuowei, L. / Xiaoxin, C. ...Jianhong, Y. / Wei, Y. / Yamei, Y. / Yuxi, W. / Tao, Y. / Linlin, X. / Xue, Y. / Caofeng, L. / Zuowei, L. / Xiaoxin, C. / Mengshi, H. / Li, Z. / Qiang, Q. / Heying, P. / Dan, L. / Fang, W. / Peng, B. / Jiaolin, W. / Haoyu, Y. / Lijuan, C.
External linksJ. Biol. Chem. / PubMed:29691282
MethodsX-ray diffraction
Resolution2.09 - 3 Å
Structure data

PDB-5xiw:
Crystal structure of T2R-TTL-Colchicine complex
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

PDB-5xp3:
Crystal structure of apo T2R-TTL
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-5yl2:
Crystal structure of T2R-TTL-Y28 complex
Method: X-RAY DIFFRACTION / Resolution: 2.09 Å

PDB-5ylj:
Crystal structure of T2R-TTL-Millepachine complex
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-5yls:
Crystal structure of T2R-TTL-Y50 complex
Method: X-RAY DIFFRACTION / Resolution: 3 Å

Chemicals

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

ChemComp-MG:
Unknown entry

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

ChemComp-HOH:
WATER

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

ChemComp-8WU:
(E)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-en-1-one

ChemComp-8X0:
(E)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one

ChemComp-Y50:
E-3-(3-azanyl-4-methoxy-phenyl)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)prop-2-en-1-one

Source
  • sus scrofa (pig)
  • rattus norvegicus (Norway rat)
  • gallus gallus (chicken)
KeywordsCELL CYCLE / tubulin / Colchicine / Colchicine binding domain / tubulin inhibitor / STRUCTURAL PROTEIN / tublin / Millepachine

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