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Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Redhead MA, Owen CD, Brewitz L, Collette AH, Lukacik P, Strain-Damerell C, Robinson SW, Collins PM, Schäfer P, Swindells M, Radoux CJ, Hopkins IN, Fearon D, Douangamath A, von Delft F, Malla TR, Vangeel L, Vercruysse T, Thibaut J, Leyssen P, Nguyen TT, Hull M, Tumber A, Hallett DJ, Schofield CJ, Stuart DI, Hopkins AL, Walsh MA. Redhead MA, et al. Among authors: douangamath a. Sci Rep. 2021 Jun 24;11(1):13208. doi: 10.1038/s41598-021-92416-4. Sci Rep. 2021. PMID: 34168183 Free PMC article.
Structure of ribose 5-phosphate isomerase from the probiotic bacterium Lactobacillus salivarius UCC118.
Lobley CM, Aller P, Douangamath A, Reddivari Y, Bumann M, Bird LE, Nettleship JE, Brandao-Neto J, Owens RJ, O'Toole PW, Walsh MA. Lobley CM, et al. Among authors: douangamath a. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2012 Dec 1;68(Pt 12):1427-33. doi: 10.1107/S174430911204273X. Epub 2012 Nov 14. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2012. PMID: 23192019 Free PMC article.
Application of in situ diffraction in high-throughput structure determination platforms.
Aller P, Sanchez-Weatherby J, Foadi J, Winter G, Lobley CM, Axford D, Ashton AW, Bellini D, Brandao-Neto J, Culurgioni S, Douangamath A, Duman R, Evans G, Fisher S, Flaig R, Hall DR, Lukacik P, Mazzorana M, McAuley KE, Mykhaylyk V, Owen RL, Paterson NG, Romano P, Sandy J, Sorensen T, von Delft F, Wagner A, Warren A, Williams M, Stuart DI, Walsh MA. Aller P, et al. Among authors: douangamath a. Methods Mol Biol. 2015;1261:233-53. doi: 10.1007/978-1-4939-2230-7_13. Methods Mol Biol. 2015. PMID: 25502203 Review.
Gentle, fast and effective crystal soaking by acoustic dispensing.
Collins PM, Ng JT, Talon R, Nekrosiute K, Krojer T, Douangamath A, Brandao-Neto J, Wright N, Pearce NM, von Delft F. Collins PM, et al. Among authors: douangamath a. Acta Crystallogr D Struct Biol. 2017 Mar 1;73(Pt 3):246-255. doi: 10.1107/S205979831700331X. Epub 2017 Mar 6. Acta Crystallogr D Struct Biol. 2017. PMID: 28291760 Free PMC article.
Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Douangamath A, Fearon D, Gehrtz P, Krojer T, Lukacik P, Owen CD, Resnick E, Strain-Damerell C, Aimon A, Ábrányi-Balogh P, Brandão-Neto J, Carbery A, Davison G, Dias A, Downes TD, Dunnett L, Fairhead M, Firth JD, Jones SP, Keeley A, Keserü GM, Klein HF, Martin MP, Noble MEM, O'Brien P, Powell A, Reddi RN, Skyner R, Snee M, Waring MJ, Wild C, London N, von Delft F, Walsh MA. Douangamath A, et al. Nat Commun. 2020 Oct 7;11(1):5047. doi: 10.1038/s41467-020-18709-w. Nat Commun. 2020. PMID: 33028810 Free PMC article.
Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Schuller M, Correy GJ, Gahbauer S, Fearon D, Wu T, Díaz RE, Young ID, Carvalho Martins L, Smith DH, Schulze-Gahmen U, Owens TW, Deshpande I, Merz GE, Thwin AC, Biel JT, Peters JK, Moritz M, Herrera N, Kratochvil HT; QCRG Structural Biology Consortium; Aimon A, Bennett JM, Brandao Neto J, Cohen AE, Dias A, Douangamath A, Dunnett L, Fedorov O, Ferla MP, Fuchs MR, Gorrie-Stone TJ, Holton JM, Johnson MG, Krojer T, Meigs G, Powell AJ, Rack JGM, Rangel VL, Russi S, Skyner RE, Smith CA, Soares AS, Wierman JL, Zhu K, O'Brien P, Jura N, Ashworth A, Irwin JJ, Thompson MC, Gestwicki JE, von Delft F, Shoichet BK, Fraser JS, Ahel I. Schuller M, et al. Among authors: douangamath a. Sci Adv. 2021 Apr 14;7(16):eabf8711. doi: 10.1126/sciadv.abf8711. Print 2021 Apr. Sci Adv. 2021. PMID: 33853786 Free PMC article.
34 results