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Identification and characterization of two drug-like fragments that bind to the same cryptic binding pocket of Burkholderia pseudomallei DsbA.
Petit GA, Mohanty B, McMahon RM, Nebl S, Hilko DH, Wilde KL, Scanlon MJ, Martin JL, Halili MA. Petit GA, et al. Among authors: halili ma. Acta Crystallogr D Struct Biol. 2022 Jan 1;78(Pt 1):75-90. doi: 10.1107/S2059798321011475. Epub 2022 Jan 1. Acta Crystallogr D Struct Biol. 2022. PMID: 34981764 Free PMC article.
NMR fragment screening reveals a novel small molecule binding site near the catalytic surface of the disulfide-dithiol oxidoreductase enzyme DsbA from Burkholderia pseudomallei.
Nebl S, Alwan WS, Williams ML, Sharma G, Taylor A, Doak BC, Wilde KL, McMahon RM, Halili MA, Martin JL, Capuano B, Fenwick RB, Mohanty B, Scanlon MJ. Nebl S, et al. Among authors: halili ma. J Biomol NMR. 2020 Nov;74(10-11):595-611. doi: 10.1007/s10858-020-00339-5. Epub 2020 Aug 6. J Biomol NMR. 2020. PMID: 32761504
29 results