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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: russi s. Sci Adv. 2021 Apr 14;7(16):eabf8711. doi: 10.1126/sciadv.abf8711. Print 2021 Apr. Sci Adv. 2021. PMID: 33853786 Free PMC article.
Bis.
Suescun L, Mombru AW, Mariezcurrena RA, Pardo H, Russi S, Baggio R. Suescun L, et al. Among authors: russi s. Acta Crystallogr C. 2000 Feb;56 (Pt 2):179-81. doi: 10.1107/s0108270199014833. Acta Crystallogr C. 2000. PMID: 10777879 No abstract available.
1,4,4-trimethyl-9-phenyl-8-oxa-9-aza-bicyclo.
Russi S, Pardo H, Heinzen H, Dias E, Moyna P, Mariezcurrena RA, Suescun L, Mombru AW. Russi S, et al. Acta Crystallogr C. 2000 Jun;56 (Pt 6):672-3. doi: 10.1107/s0108270100002729. Acta Crystallogr C. 2000. PMID: 10902016 No abstract available.
[1,3-Bis(diphenylphosphino)propane]trichlorooxorhenium(V).
Suescun L, Mombrú AW, Mariezcurrena RA, Pardo H, Russi S, Kremer C, Rivero M, Kremer E. Suescun L, et al. Among authors: russi s. Acta Crystallogr C. 2000 Aug;56 ( Pt 8):930-1. doi: 10.1107/s0108270100006983. Acta Crystallogr C. 2000. PMID: 10944276
(S)-tricarbonyl.
Russi S, Suescun L, Mombru A, Pardo H, Mariezcurrena RA, Cavalli G, Seoane G. Russi S, et al. Acta Crystallogr C. 2000 Jul;56 (Pt 7):820-1. doi: 10.1107/s0108270100006399. Acta Crystallogr C. 2000. PMID: 10935092 No abstract available.
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, Martins LC, 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, Neto JB, Cohen AE, Dias A, Douangamath A, Dunnett L, Fedorov O, Ferla MP, Fuchs M, Gorrie-Stone TJ, Holton JM, Johnson MG, Krojer T, Meigs G, Powell AJ; Johannes Gregor Matthias Rack; Rangel VL, Russi S, Skyner RE, Smith CA, Soares AS, Wierman JL, Zhu K, Jura N, Ashworth A, Irwin J, Thompson MC, Gestwicki JE, von Delft F, Shoichet BK, Fraser JS, Ahel I. Schuller M, et al. Among authors: russi s. bioRxiv [Preprint]. 2020 Nov 24:2020.11.24.393405. doi: 10.1101/2020.11.24.393405. bioRxiv. 2020. Update in: Sci Adv. 2021 Apr 14;7(16):eabf8711. doi: 10.1126/sciadv.abf8711 PMID: 33269349 Free PMC article. Updated. Preprint.
125 results