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TitleNovel mechanism of YAP-TEAD inhibition results in targeted chromatin remodeling and reveals an expanded Hippo dependent landscape in cancers
Journal, issue, pagesTo Be Published
Publish dateFeb 14, 2022 (structure data deposition date)
AuthorsHagenbeek, T.J. / Zbieg, J.R. / Noland, C.L. / Yao, X. / Schmidt, S. / Clausen, S. / Steffek, M. / Lee, W. / Beroza, P. / Martin, S. ...Hagenbeek, T.J. / Zbieg, J.R. / Noland, C.L. / Yao, X. / Schmidt, S. / Clausen, S. / Steffek, M. / Lee, W. / Beroza, P. / Martin, S. / Lin, E. / Fong, R. / Di Lello, P. / Kubala, M.H. / Lacap, J.A. / Yang, M.N.Y. / Maddalo, D. / Lau, J.T. / An, L. / Levy, E. / Lorenzo, M.N. / Lee, H.J. / Pham, T.H. / Modrusan, Z. / Zang, R. / Chen, Y.C. / Li, J. / Hafner, M. / Chang, M.T. / Crawford, J.J. / Dey, A.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.6 - 1.88 Å
Structure data

PDB-7typ:
TEAD2 bound to GNE-7883
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-7tyq:
TEAD2 bound to Compound 1
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

PDB-7tyu:
TEAD2 bound to Compound 2
Method: X-RAY DIFFRACTION / Resolution: 1.78 Å

Chemicals

ChemComp-TRS:
2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-KUR:
(8S)-5-(4-cyclohexylphenyl)-3-[3-(fluoromethyl)azetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one

ChemComp-HOH:
WATER

ChemComp-KUI:
ethyl (8S)-7-oxo-5-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate

ChemComp-KTF:
(3R)-1-[(8S)-5-(4-cyclohexylphenyl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidine-3-carbonitrile

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / Small molecule PPI inhibitor complex

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