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TitleStructure-based discovery of potent WD repeat domain 5 inhibitors that demonstrate efficacy and safety in preclinical animal models.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 120, Page e2211297120-e2211297120, Year 2023
Publish dateAug 26, 2022 (structure data deposition date)
AuthorsTeuscher, K.B. / Chowdhury, S. / Meyers, K.M. / Tian, J. / Sai, J. / Van Meveren, M. / South, T.M. / Sensintaffar, J.L. / Rietz, T.A. / Goswami, S. ...Teuscher, K.B. / Chowdhury, S. / Meyers, K.M. / Tian, J. / Sai, J. / Van Meveren, M. / South, T.M. / Sensintaffar, J.L. / Rietz, T.A. / Goswami, S. / Wang, J. / Grieb, B.C. / Lorey, S.L. / Howard, G.C. / Liu, Q. / Moore, W.J. / Stott, G.M. / Tansey, W.P. / Lee, T. / Fesik, S.W.
External linksProc. Natl. Acad. Sci. USA / PubMed:36574664
MethodsX-ray diffraction
Resolution1.55 Å
Structure data

PDB-8e9f:
WD repeat-containing protein 5 complexed with 4-(7-((1H-imidazol-1-yl)methyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl)-6-ethyl-N-methylquinoline-8-carboxamide (compound 10)
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

Chemicals

ChemComp-BEN:
BENZAMIDINE

ChemComp-UY9:
6-ethyl-4-[(5P)-7-[(1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]-N-methylquinoline-8-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / WDR5 / drug discovery / cancer

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