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Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Boby ML, Fearon D, Ferla M, Filep M, Koekemoer L, Robinson MC; COVID Moonshot Consortium‡; Chodera JD, Lee AA, London N, von Delft A, von Delft F, Achdout H, Aimon A, Alonzi DS, Arbon R, Aschenbrenner JC, Balcomb BH, Bar-David E, Barr H, Ben-Shmuel A, Bennett J, Bilenko VA, Borden B, Boulet P, Bowman GR, Brewitz L, Brun J, Bvnbs S, Calmiano M, Carbery A, Carney DW, Cattermole E, Chang E, Chernyshenko E, Clyde A, Coffland JE, Cohen G, Cole JC, Contini A, Cox L, Croll TI, Cvitkovic M, De Jonghe S, Dias A, Donckers K, Dotson DL, Douangamath A, Duberstein S, Dudgeon T, Dunnett LE, Eastman P, Erez N, Eyermann CJ, Fairhead M, Fate G, Fedorov O, Fernandes RS, Ferrins L, Foster R, Foster H, Fraisse L, Gabizon R, García-Sastre A, Gawriljuk VO, Gehrtz P, Gileadi C, Giroud C, Glass WG, Glen RC, Glinert I, Godoy AS, Gorichko M, Gorrie-Stone T, Griffen EJ, Haneef A, Hassell Hart S, Heer J, Henry M, Hill M, Horrell S, Huang QYJ, Huliak VD, Hurley MFD, Israely T, Jajack A, Jansen J, Jnoff E, Jochmans D, John T, Kaminow B, Kang L, Kantsadi AL, Kenny PW, Kiappes JL, Kinakh SO, Kovar B, Krojer T, La VNT, Laghnimi-Hahn S, Lefker BA, Levy H, Lithgo RM, Logvinenko IG, Lukacik P, Macdonald HB, M… See abstract for full author list ➔ Boby ML, et al. Among authors: aschenbrenner jc. Science. 2023 Nov 10;382(6671):eabo7201. doi: 10.1126/science.abo7201. Epub 2023 Nov 10. Science. 2023. PMID: 37943932 Free PMC article.
High-throughput crystallographic fragment screening of Zika virus NS3 Helicase.
Godoy AS, Mesquita NCMR, Noske GD, Gawriljuk VO, Lithgo RM, Balcomb BH, Aschenbrenner JC, Tomlinson CWE, Winokan M, Scheen J, Marples PG, Chandran AV, Ni X, Thompson W, Fairhead M, Fearon D, Koekemoer L, Xavier ME, Walsh M, Oliva G, von Delft F. Godoy AS, et al. Among authors: aschenbrenner jc. bioRxiv [Preprint]. 2024 Apr 29:2024.04.27.591279. doi: 10.1101/2024.04.27.591279. bioRxiv. 2024. PMID: 38746241 Free PMC article. Preprint.
Crystallographic fragment screening delivers diverse chemical scaffolds for Zika virus NS2B-NS3 protease inhibitor development.
Ni X, Godoy AS, Marples PG, Fairhead M, Balcomb BH, Ferla MP, Tomlinson CWE, Wang S, Giroud C, Aschenbrenner JC, Lithgo RM, Winokan M, Chandran AV, Thompson W, Xavier MA, Williams EP, Walsh M, Fearon D, Koekemoer L, von Delft F. Ni X, et al. Among authors: aschenbrenner jc. bioRxiv [Preprint]. 2024 Apr 29:2024.04.29.591502. doi: 10.1101/2024.04.29.591502. bioRxiv. 2024. PMID: 38746305 Free PMC article. Preprint.
Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Lithgo RM, Tomlinson CWE, Fairhead M, Winokan M, Thompson W, Wild C, Aschenbrenner JC, Balcomb BH, Marples PG, Chandran AV, Golding M, Koekemoer L, Williams EP, Wang S, Ni X, MacLean E, Giroud C, Godoy AS, Xavier MA, Walsh M, Fearon D, von Delft F. Lithgo RM, et al. Among authors: aschenbrenner jc. bioRxiv [Preprint]. 2024 Apr 29:2024.04.29.591684. doi: 10.1101/2024.04.29.591684. bioRxiv. 2024. PMID: 38746446 Free PMC article. Preprint.
Biocatalytic synthesis of non-vicinal aliphatic diols.
Ebrecht AC, Aschenbrenner JC, Smit MS, Opperman DJ. Ebrecht AC, et al. Among authors: aschenbrenner jc. Org Biomol Chem. 2021 Jan 21;19(2):439-445. doi: 10.1039/d0ob02086a. Org Biomol Chem. 2021. PMID: 33331366
X-ray crystal structure and specificity of the Toxoplasma gondii ME49 TgAPN2.
Marijanovic EM, Weronika Swiderska K, Andersen J, Aschenbrenner JC, Webb CT, Drag M, Drinkwater N, McGowan S. Marijanovic EM, et al. Among authors: aschenbrenner jc. Biochem J. 2020 Oct 16;477(19):3819-3832. doi: 10.1042/BCJ20200569. Biochem J. 2020. PMID: 32926129 Free PMC article.