Crystallographic fragment screening and deep mutational scanning of Zika virus NS2B-NS3 protease enable development of resistance-resilient inhibitors.
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| Title: | Crystallographic fragment screening and deep mutational scanning of Zika virus NS2B-NS3 protease enable development of resistance-resilient inhibitors. |
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| Authors: | Ni X; Centre for Medicines Discovery, NDM research Building, Roosevelt Dr, Headington, Oxford OX3 7FZ, United Kingdom., Richardson RB; Department of Microbiology, Icahn School of Medicine at Mount Sinai, New York, NY, USA., Godoy AS; São Carlos Institute of Physics, University of São Paulo, Av. João Dagnone, 1100 - Jardim Santa Angelina, São Carlos, 13563-120, Brazil., Ferla MP; Centre for Medicines Discovery, NDM research Building, Roosevelt Dr, Headington, Oxford OX3 7FZ, United Kingdom., Kikawa C; Medical Scientist Training Program, University of Washington, Seattle, WA, USA.; Department of Genome Sciences, University of Washington, Seattle, WA, USA.; Division of Basic Sciences, Fred Hutch Cancer Center, Seattle, WA, USA., Scheen J; Open Molecular Software Foundation, Davis, CA 95618, USA., Hannon WW; Division of Basic Sciences, Computational Biology Program, and Vaccine and Infectious Disease Division, Fred Hutchinson Cancer Center, Seattle, Washington, USA.; Molecular and Cellular Biology Graduate Program, University of Washington, Seattle, Washington, USA., Capkin E; Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom., Lahav N; The Wohl Drug Discovery Institute of the Nancy and Stephen Grand Israel National Center for Personalized Medicine, Weizmann Institute of Science., Balcomb BH; Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom.; Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot, UK., Marples PG; Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom.; Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot, UK., Fairhead M; Centre for Medicines Discovery, NDM research Building, Roosevelt Dr, Headington, Oxford OX3 7FZ, United Kingdom., Wang S; Centre for Medicines Discovery, NDM research Building, Roosevelt Dr, Headington, Oxford OX3 7FZ, United Kingdom., Williams EP; Centre for Medicines Discovery, NDM research Building, Roosevelt Dr, Headington, Oxford OX3 7FZ, United Kingdom., Tomlinson CWE; Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom.; Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot, UK., Aschenbrenner JC; Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom.; Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot, UK., Lithgo RM; Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom.; Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot, UK., Winokan M; Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom.; Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot, UK., Giroud C; Centre for Medicines Discovery, NDM research Building, Roosevelt Dr, Headington, Oxford OX3 7FZ, United Kingdom., Chandran AV; Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom.; Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot, UK., Walsh M; Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom.; Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot, UK., Thompson W; Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom.; Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot, UK., Bloom JD; Division of Basic Sciences, Fred Hutch Cancer Center, Seattle, WA, USA.; Howard Hughes Medical Institute, Seattle, Washington, USA., Barr H; The Wohl Drug Discovery Institute of the Nancy and Stephen Grand Israel National Center for Personalized Medicine, Weizmann Institute of Science., Kirkegaard K; Department of Genetics, Stanford University, Palo Alto, California, USA.; Department of Microbiology and Immunology, Stanford University, Palo Alto, California, USA., Koekemoer L; Centre for Medicines Discovery, NDM research Building, Roosevelt Dr, Headington, Oxford OX3 7FZ, United Kingdom., Fearon D; Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom.; Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot, UK., Evans MJ; Department of Microbiology, Icahn School of Medicine at Mount Sinai, New York, NY, USA., von Delft F; Centre for Medicines Discovery, NDM research Building, Roosevelt Dr, Headington, Oxford OX3 7FZ, United Kingdom.; Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom.; Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot, UK. |
| Source: | BioRxiv : the preprint server for biology [bioRxiv] 2025 Feb 13. Date of Electronic Publication: 2025 Feb 13. |
| Publication Type: | Journal Article; Preprint |
| Journal Info: | Country of Publication: United States NLM ID: 101680187 Publication Model: Electronic Cited Medium: Internet ISSN: 2692-8205 (Electronic) Linking ISSN: 26928205 NLM ISO Abbreviation: bioRxiv Subsets: PubMed not MEDLINE |
| Database: | MEDLINE Ultimate |
| FullText | Text: Availability: 0 |
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| Header | DbId: mdl DbLabel: MEDLINE Ultimate An: 38746305 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Crystallographic fragment screening and deep mutational scanning of Zika virus NS2B-NS3 protease enable development of resistance-resilient inhibitors. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AU" term="%22Ni+X%22">Ni X</searchLink>; Centre for Medicines Discovery, NDM research Building, Roosevelt Dr, Headington, Oxford OX3 7FZ, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Richardson+RB%22">Richardson RB</searchLink>; Department of Microbiology, Icahn School of Medicine at Mount Sinai, New York, NY, USA.<br /><searchLink fieldCode="AU" term="%22Godoy+AS%22">Godoy AS</searchLink>; São Carlos Institute of Physics, University of São Paulo, Av. João Dagnone, 1100 - Jardim Santa Angelina, São Carlos, 13563-120, Brazil.<br /><searchLink fieldCode="AU" term="%22Ferla+MP%22">Ferla MP</searchLink>; Centre for Medicines Discovery, NDM research Building, Roosevelt Dr, Headington, Oxford OX3 7FZ, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Kikawa+C%22">Kikawa C</searchLink>; Medical Scientist Training Program, University of Washington, Seattle, WA, USA.; Department of Genome Sciences, University of Washington, Seattle, WA, USA.; Division of Basic Sciences, Fred Hutch Cancer Center, Seattle, WA, USA.<br /><searchLink fieldCode="AU" term="%22Scheen+J%22">Scheen J</searchLink>; Open Molecular Software Foundation, Davis, CA 95618, USA.<br /><searchLink fieldCode="AU" term="%22Hannon+WW%22">Hannon WW</searchLink>; Division of Basic Sciences, Computational Biology Program, and Vaccine and Infectious Disease Division, Fred Hutchinson Cancer Center, Seattle, Washington, USA.; Molecular and Cellular Biology Graduate Program, University of Washington, Seattle, Washington, USA.<br /><searchLink fieldCode="AU" term="%22Capkin+E%22">Capkin E</searchLink>; 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Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot, UK.<br /><searchLink fieldCode="AU" term="%22Thompson+W%22">Thompson W</searchLink>; Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom.; Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot, UK.<br /><searchLink fieldCode="AU" term="%22Bloom+JD%22">Bloom JD</searchLink>; Division of Basic Sciences, Fred Hutch Cancer Center, Seattle, WA, USA.; Howard Hughes Medical Institute, Seattle, Washington, USA.<br /><searchLink fieldCode="AU" term="%22Barr+H%22">Barr H</searchLink>; The Wohl Drug Discovery Institute of the Nancy and Stephen Grand Israel National Center for Personalized Medicine, Weizmann Institute of Science.<br /><searchLink fieldCode="AU" term="%22Kirkegaard+K%22">Kirkegaard K</searchLink>; Department of Genetics, Stanford University, Palo Alto, California, USA.; Department of Microbiology and Immunology, Stanford University, Palo Alto, California, USA.<br /><searchLink fieldCode="AU" term="%22Koekemoer+L%22">Koekemoer L</searchLink>; Centre for Medicines Discovery, NDM research Building, Roosevelt Dr, Headington, Oxford OX3 7FZ, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Fearon+D%22">Fearon D</searchLink>; Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom.; Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot, UK.<br /><searchLink fieldCode="AU" term="%22Evans+MJ%22">Evans MJ</searchLink>; Department of Microbiology, Icahn School of Medicine at Mount Sinai, New York, NY, USA.<br /><searchLink fieldCode="AU" term="%22von+Delft+F%22">von Delft F</searchLink>; Centre for Medicines Discovery, NDM research Building, Roosevelt Dr, Headington, Oxford OX3 7FZ, United Kingdom.; Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom.; Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot, UK. – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22101680187%22">BioRxiv : the preprint server for biology</searchLink> [bioRxiv] 2025 Feb 13. <i>Date of Electronic Publication: </i>2025 Feb 13. – Name: TypePub Label: Publication Type Group: TypPub Data: Journal Article; 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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1101/2024.04.29.591502 Languages: – Code: eng Text: English Titles: – TitleFull: Crystallographic fragment screening and deep mutational scanning of Zika virus NS2B-NS3 protease enable development of resistance-resilient inhibitors. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Ni X – PersonEntity: Name: NameFull: Richardson RB – PersonEntity: Name: NameFull: Godoy AS – PersonEntity: Name: NameFull: Ferla MP – PersonEntity: Name: NameFull: Kikawa C – PersonEntity: Name: NameFull: Scheen J – PersonEntity: Name: NameFull: Hannon WW – PersonEntity: Name: NameFull: Capkin E – PersonEntity: Name: NameFull: Lahav N – PersonEntity: Name: NameFull: Balcomb BH – PersonEntity: Name: NameFull: Marples PG – PersonEntity: Name: NameFull: Fairhead M – PersonEntity: Name: NameFull: Wang S – PersonEntity: Name: NameFull: Williams EP – PersonEntity: Name: NameFull: Tomlinson CWE – PersonEntity: Name: NameFull: Aschenbrenner JC – PersonEntity: Name: NameFull: Lithgo RM – PersonEntity: Name: NameFull: Winokan M – PersonEntity: Name: NameFull: Giroud C – PersonEntity: Name: NameFull: Chandran AV – PersonEntity: Name: NameFull: Walsh M – PersonEntity: Name: NameFull: Thompson W – PersonEntity: Name: NameFull: Bloom JD – PersonEntity: Name: NameFull: Barr H – PersonEntity: Name: NameFull: Kirkegaard K – PersonEntity: Name: NameFull: Koekemoer L – PersonEntity: Name: NameFull: Fearon D – PersonEntity: Name: NameFull: Evans MJ – PersonEntity: Name: NameFull: von Delft F IsPartOfRelationships: – BibEntity: Dates: – D: 13 M: 02 Text: 2025 Feb 13 Type: published Y: 2025 Identifiers: – Type: issn-electronic Value: 2692-8205 Titles: – TitleFull: BioRxiv : the preprint server for biology Type: main |
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