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Structure paper

TitleSmall Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
Journal, issue, pagesJ. Med. Chem., Vol. 65, Page 9159-9173, Year 2022
Publish dateJun 19, 2020 (structure data deposition date)
AuthorsYang, J. / Li, Y. / Qiu, Q. / Wang, R. / Yan, W. / Yu, Y. / Niu, L. / Pei, H. / Wei, H. / Ouyang, L. ...Yang, J. / Li, Y. / Qiu, Q. / Wang, R. / Yan, W. / Yu, Y. / Niu, L. / Pei, H. / Wei, H. / Ouyang, L. / Ye, H. / Xu, D. / Wei, Y. / Chen, Q. / Chen, L.
External linksJ. Med. Chem. / PubMed:35762925
MethodsX-ray diffraction
Resolution2.659 - 2.725 Å
Structure data

PDB-7cda:
Crystal structure of T2R-TTL-PAC complex
Method: X-RAY DIFFRACTION / Resolution: 2.659 Å

PDB-7ce6:
Crystal structure of T2R-TTL-Compound9 complex
Method: X-RAY DIFFRACTION / Resolution: 2.695 Å

PDB-7ce8:
Crystal structure of T2R-TTL-Compound11 complex
Method: X-RAY DIFFRACTION / Resolution: 2.725 Å

PDB-7cek:
Crystal structure of T2R-TTL-BML-284 complex
Method: X-RAY DIFFRACTION / Resolution: 2.696 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-AEU:
N-[(3-phenoxyphenyl)methyl]-9H-beta-carbolin-3-amine

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

ChemComp-HOH:
WATER

ChemComp-AF6:
N-benzyl-9H-beta-carbolin-3-amine

ChemComp-AEX:
N-butyl-9H-beta-carbolin-3-amine

ChemComp-FW9:
N4-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine

ChemComp-CL:
Unknown entry

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

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