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Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease.
Pavlova A, Lynch DL, Daidone I, Zanetti-Polzi L, Smith MD, Chipot C, Kneller DW, Kovalevsky A, Coates L, Golosov AA, Dickson CJ, Velez-Vega C, Duca JS, Vermaas JV, Pang YT, Acharya A, Parks JM, Smith JC, Gumbart JC. Pavlova A, et al. Among authors: kovalevsky a. Chem Sci. 2020 Nov 26;12(4):1513-1527. doi: 10.1039/d0sc04942e. eCollection 2021 Jan 28. Chem Sci. 2020. PMID: 35356437 Free PMC article.
Heterologous expression, purification, crystallization and preliminary X-ray analysis of Trichoderma reesei xylanase II and four variants.
Wan Q, Kovalevsky A, Zhang Q, Hamilton-Brehm S, Upton R, Weiss KL, Mustyakimov M, Graham D, Coates L, Langan P. Wan Q, et al. Among authors: kovalevsky a. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2013 Mar 1;69(Pt 3):320-3. doi: 10.1107/S1744309113001164. Epub 2013 Feb 27. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2013. PMID: 23519813 Free PMC article.
L-Arabinose binding, isomerization, and epimerization by D-xylose isomerase: X-ray/neutron crystallographic and molecular simulation study.
Langan P, Sangha AK, Wymore T, Parks JM, Yang ZK, Hanson BL, Fisher Z, Mason SA, Blakeley MP, Forsyth VT, Glusker JP, Carrell HL, Smith JC, Keen DA, Graham DE, Kovalevsky A. Langan P, et al. Among authors: kovalevsky a. Structure. 2014 Sep 2;22(9):1287-1300. doi: 10.1016/j.str.2014.07.002. Epub 2014 Aug 14. Structure. 2014. PMID: 25132082 Free article.
Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site.
Gerlits O, Wymore T, Das A, Shen CH, Parks JM, Smith JC, Weiss KL, Keen DA, Blakeley MP, Louis JM, Langan P, Weber IT, Kovalevsky A. Gerlits O, et al. Among authors: kovalevsky a. Angew Chem Int Ed Engl. 2016 Apr 11;55(16):4924-7. doi: 10.1002/anie.201509989. Epub 2016 Mar 9. Angew Chem Int Ed Engl. 2016. PMID: 26958828 Free PMC article.
177 results