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Structure paper

TitleThe First Class of Small Molecules Potently Disrupting the YAP-TEAD Interaction by Direct Competition.
Journal, issue, pagesChemmedchem, Vol. 17, Page e202200303-e202200303, Year 2022
Publish dateMay 30, 2022 (structure data deposition date)
AuthorsFuret, P. / Bordas, V. / Le Douget, M. / Salem, B. / Mesrouze, Y. / Imbach-Weese, P. / Sellner, H. / Voegtle, M. / Soldermann, N. / Chapeau, E. ...Furet, P. / Bordas, V. / Le Douget, M. / Salem, B. / Mesrouze, Y. / Imbach-Weese, P. / Sellner, H. / Voegtle, M. / Soldermann, N. / Chapeau, E. / Wartmann, M. / Scheufler, C. / Fernandez, C. / Kallen, J. / Guagnano, V. / Chene, P. / Schmelzle, T.
External linksChemmedchem / PubMed:35950546
MethodsX-ray diffraction
Resolution2.699 - 2.895 Å
Structure data

PDB-8a0u:
Crystal structure of TEAD3 in complex with CPD4
Method: X-RAY DIFFRACTION / Resolution: 2.895 Å

PDB-8a0v:
Crystal structure of TEAD3 in complex with CPD2
Method: X-RAY DIFFRACTION / Resolution: 2.699 Å

Chemicals

ChemComp-MYR:
MYRISTIC ACID

ChemComp-KMU:
2-[(2~{S})-2-(aminomethyl)-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-4-yl]benzamide

ChemComp-PO4:
PHOSPHATE ION

ChemComp-HOH:
WATER

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-KNE:
[(2~{S})-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-2-yl]methanamine

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / Inhibitor / Complex

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