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De novo design of potent inhibitors of clostridial family toxins.

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Title: De novo design of potent inhibitors of clostridial family toxins.
Authors: Ragotte RJ; Department of Biochemistry, University of Washington, Seattle, WA 98195.; Institute for Protein Design, University of Washington, Seattle, WA 98195., Liang H; Molecular Medicine Program, The Hospital for Sick Children, Toronto, ON, Canada M5G 0A4.; Department of Biochemistry, University of Toronto, Toronto, ON M5S 1A8, Canada., Tam J; Molecular Medicine Program, The Hospital for Sick Children, Toronto, ON, Canada M5G 0A4.; Department of Biochemistry, University of Toronto, Toronto, ON M5S 1A8, Canada., Miletic S; Molecular Medicine Program, The Hospital for Sick Children, Toronto, ON, Canada M5G 0A4., Berman JM; Centre for Molecular and Systems Biology, Lunenfeld-Tanenbaum Research Institute, Mount Sinai Hospital, Toronto, ON M5G 1X5, Canada., Palou R; Molecular Medicine Program, The Hospital for Sick Children, Toronto, ON, Canada M5G 0A4., Weidle C; Department of Biochemistry, University of Washington, Seattle, WA 98195.; Institute for Protein Design, University of Washington, Seattle, WA 98195., Li Z; Molecular Medicine Program, The Hospital for Sick Children, Toronto, ON, Canada M5G 0A4., Glögl M; Department of Biochemistry, University of Washington, Seattle, WA 98195.; Institute for Protein Design, University of Washington, Seattle, WA 98195., Beilhartz GL; Molecular Medicine Program, The Hospital for Sick Children, Toronto, ON, Canada M5G 0A4., Carr KD; Department of Biochemistry, University of Washington, Seattle, WA 98195.; Institute for Protein Design, University of Washington, Seattle, WA 98195., Borst AJ; Department of Biochemistry, University of Washington, Seattle, WA 98195.; Institute for Protein Design, University of Washington, Seattle, WA 98195., Coventry B; Department of Biochemistry, University of Washington, Seattle, WA 98195.; Institute for Protein Design, University of Washington, Seattle, WA 98195.; HHMI, University of Washington, Seattle, WA 98195., Wang X; Department of Biochemistry, University of Washington, Seattle, WA 98195.; Institute for Protein Design, University of Washington, Seattle, WA 98195., Rubinstein JL; Molecular Medicine Program, The Hospital for Sick Children, Toronto, ON, Canada M5G 0A4.; Department of Biochemistry, University of Toronto, Toronto, ON M5S 1A8, Canada.; Department of Medical Biophysics, University of Toronto, Toronto, ON, Canada M5G 1L7., Tyers M; Molecular Medicine Program, The Hospital for Sick Children, Toronto, ON, Canada M5G 0A4.; Department of Molecular Genetics, University of Toronto, Toronto, ON, Canada M5S 1A8., Schramek D; Centre for Molecular and Systems Biology, Lunenfeld-Tanenbaum Research Institute, Mount Sinai Hospital, Toronto, ON M5G 1X5, Canada.; Department of Molecular Genetics, University of Toronto, Toronto, ON, Canada M5S 1A8., Melnyk RA; Molecular Medicine Program, The Hospital for Sick Children, Toronto, ON, Canada M5G 0A4.; Department of Biochemistry, University of Toronto, Toronto, ON M5S 1A8, Canada., Baker D; Department of Biochemistry, University of Washington, Seattle, WA 98195.; Institute for Protein Design, University of Washington, Seattle, WA 98195.; HHMI, University of Washington, Seattle, WA 98195.
Source: Proceedings of the National Academy of Sciences of the United States of America [Proc Natl Acad Sci U S A] 2025 Sep 30; Vol. 122 (39), pp. e2509329122. Date of Electronic Publication: 2025 Sep 22.
Publication Type: Journal Article
Journal Info: Publisher: National Academy of Sciences Country of Publication: United States NLM ID: 7505876 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1091-6490 (Electronic) Linking ISSN: 00278424 NLM ISO Abbreviation: Proc Natl Acad Sci U S A Subsets: MEDLINE
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  Data: <searchLink fieldCode="AU" term="%22Ragotte+RJ%22">Ragotte RJ</searchLink>; Department of Biochemistry, University of Washington, Seattle, WA 98195.; Institute for Protein Design, University of Washington, Seattle, WA 98195.<br /><searchLink fieldCode="AU" term="%22Liang+H%22">Liang H</searchLink>; Molecular Medicine Program, The Hospital for Sick Children, Toronto, ON, Canada M5G 0A4.; Department of Biochemistry, University of Toronto, Toronto, ON M5S 1A8, Canada.<br /><searchLink fieldCode="AU" term="%22Tam+J%22">Tam J</searchLink>; Molecular Medicine Program, The Hospital for Sick Children, Toronto, ON, Canada M5G 0A4.; Department of Biochemistry, University of Toronto, Toronto, ON M5S 1A8, Canada.<br /><searchLink fieldCode="AU" term="%22Miletic+S%22">Miletic S</searchLink>; Molecular Medicine Program, The Hospital for Sick Children, Toronto, ON, Canada M5G 0A4.<br /><searchLink fieldCode="AU" term="%22Berman+JM%22">Berman JM</searchLink>; Centre for Molecular and Systems Biology, Lunenfeld-Tanenbaum Research Institute, Mount Sinai Hospital, Toronto, ON M5G 1X5, Canada.<br /><searchLink fieldCode="AU" term="%22Palou+R%22">Palou R</searchLink>; Molecular Medicine Program, The Hospital for Sick Children, Toronto, ON, Canada M5G 0A4.<br /><searchLink fieldCode="AU" term="%22Weidle+C%22">Weidle C</searchLink>; Department of Biochemistry, University of Washington, Seattle, WA 98195.; Institute for Protein Design, University of Washington, Seattle, WA 98195.<br /><searchLink fieldCode="AU" term="%22Li+Z%22">Li Z</searchLink>; Molecular Medicine Program, The Hospital for Sick Children, Toronto, ON, Canada M5G 0A4.<br /><searchLink fieldCode="AU" term="%22Glögl+M%22">Glögl M</searchLink>; Department of Biochemistry, University of Washington, Seattle, WA 98195.; Institute for Protein Design, University of Washington, Seattle, WA 98195.<br /><searchLink fieldCode="AU" term="%22Beilhartz+GL%22">Beilhartz GL</searchLink>; Molecular Medicine Program, The Hospital for Sick Children, Toronto, ON, Canada M5G 0A4.<br /><searchLink fieldCode="AU" term="%22Carr+KD%22">Carr KD</searchLink>; Department of Biochemistry, University of Washington, Seattle, WA 98195.; Institute for Protein Design, University of Washington, Seattle, WA 98195.<br /><searchLink fieldCode="AU" term="%22Borst+AJ%22">Borst AJ</searchLink>; Department of Biochemistry, University of Washington, Seattle, WA 98195.; Institute for Protein Design, University of Washington, Seattle, WA 98195.<br /><searchLink fieldCode="AU" term="%22Coventry+B%22">Coventry B</searchLink>; Department of Biochemistry, University of Washington, Seattle, WA 98195.; Institute for Protein Design, University of Washington, Seattle, WA 98195.; HHMI, University of Washington, Seattle, WA 98195.<br /><searchLink fieldCode="AU" term="%22Wang+X%22">Wang X</searchLink>; Department of Biochemistry, University of Washington, Seattle, WA 98195.; Institute for Protein Design, University of Washington, Seattle, WA 98195.<br /><searchLink fieldCode="AU" term="%22Rubinstein+JL%22">Rubinstein JL</searchLink>; Molecular Medicine Program, The Hospital for Sick Children, Toronto, ON, Canada M5G 0A4.; Department of Biochemistry, University of Toronto, Toronto, ON M5S 1A8, Canada.; Department of Medical Biophysics, University of Toronto, Toronto, ON, Canada M5G 1L7.<br /><searchLink fieldCode="AU" term="%22Tyers+M%22">Tyers M</searchLink>; Molecular Medicine Program, The Hospital for Sick Children, Toronto, ON, Canada M5G 0A4.; Department of Molecular Genetics, University of Toronto, Toronto, ON, Canada M5S 1A8.<br /><searchLink fieldCode="AU" term="%22Schramek+D%22">Schramek D</searchLink>; Centre for Molecular and Systems Biology, Lunenfeld-Tanenbaum Research Institute, Mount Sinai Hospital, Toronto, ON M5G 1X5, Canada.; Department of Molecular Genetics, University of Toronto, Toronto, ON, Canada M5S 1A8.<br /><searchLink fieldCode="AU" term="%22Melnyk+RA%22">Melnyk RA</searchLink>; Molecular Medicine Program, The Hospital for Sick Children, Toronto, ON, Canada M5G 0A4.; Department of Biochemistry, University of Toronto, Toronto, ON M5S 1A8, Canada.<br /><searchLink fieldCode="AU" term="%22Baker+D%22">Baker D</searchLink>; Department of Biochemistry, University of Washington, Seattle, WA 98195.; Institute for Protein Design, University of Washington, Seattle, WA 98195.; HHMI, University of Washington, Seattle, WA 98195.
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