Kovalevsky A - Search Results

1

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. bioRxiv [Preprint]. 2020 Sep 10:2020.09.07.286344. doi: 10.1101/2020.09.07.286344. bioRxiv. 2020. Update in: Chem Sci. 2020 Nov 26;12(4):1513-1527. doi: 10.1039/d0sc04942e PMID: 32935106 Free PMC article. Updated. Preprint.

2

Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.

Wan Q, Parks JM, Hanson BL, Fisher SZ, Ostermann A, Schrader TE, Graham DE, Coates L, Langan P, Kovalevsky A. Wan Q, et al. Among authors: kovalevsky a. Proc Natl Acad Sci U S A. 2015 Oct 6;112(40):12384-9. doi: 10.1073/pnas.1504986112. Epub 2015 Sep 21. Proc Natl Acad Sci U S A. 2015. PMID: 26392527 Free PMC article.

3

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.

4

Direct evidence that an extended hydrogen-bonding network influences activation of pyridoxal 5'-phosphate in aspartate aminotransferase.

Dajnowicz S, Parks JM, Hu X, Gesler K, Kovalevsky AY, Mueser TC. Dajnowicz S, et al. J Biol Chem. 2017 Apr 7;292(14):5970-5980. doi: 10.1074/jbc.M116.774588. Epub 2017 Feb 23. J Biol Chem. 2017. PMID: 28232482 Free PMC article.

5

Mannobiose Binding Induces Changes in Hydrogen Bonding and Protonation States of Acidic Residues in Concanavalin A As Revealed by Neutron Crystallography.

Gerlits OO, Coates L, Woods RJ, Kovalevsky A. Gerlits OO, et al. Among authors: kovalevsky a. Biochemistry. 2017 Sep 12;56(36):4747-4750. doi: 10.1021/acs.biochem.7b00654. Epub 2017 Aug 30. Biochemistry. 2017. PMID: 28846383 Free PMC article.

6

Structural plasticity of SARS-CoV-2 3CL M^pro active site cavity revealed by room temperature X-ray crystallography.

Kneller DW, Phillips G, O'Neill HM, Jedrzejczak R, Stols L, Langan P, Joachimiak A, Coates L, Kovalevsky A. Kneller DW, et al. Among authors: kovalevsky a. Nat Commun. 2020 Jun 24;11(1):3202. doi: 10.1038/s41467-020-16954-7. Nat Commun. 2020. PMID: 32581217 Free PMC article.

7

Room-temperature neutron and X-ray data collection of 3CL M^pro from SARS-CoV-2.

Kneller DW, Phillips G, Kovalevsky A, Coates L. Kneller DW, et al. Among authors: kovalevsky a. Acta Crystallogr F Struct Biol Commun. 2020 Oct 1;76(Pt 10):483-487. doi: 10.1107/S2053230X20011814. Epub 2020 Sep 15. Acta Crystallogr F Struct Biol Commun. 2020. PMID: 33006576 Free PMC article.

8

Unusual zwitterionic catalytic site of SARS-CoV-2 main protease revealed by neutron crystallography.

Kneller DW, Phillips G, Weiss KL, Pant S, Zhang Q, O'Neill HM, Coates L, Kovalevsky A. Kneller DW, et al. Among authors: kovalevsky a. J Biol Chem. 2020 Dec 11;295(50):17365-17373. doi: 10.1074/jbc.AC120.016154. Epub 2020 Oct 15. J Biol Chem. 2020. PMID: 33060199 Free PMC article.

9

Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL M^pro: insights into enzyme mechanism and drug design.

Kneller DW, Phillips G, O'Neill HM, Tan K, Joachimiak A, Coates L, Kovalevsky A. Kneller DW, et al. Among authors: kovalevsky a. IUCrJ. 2020 Sep 21;7(Pt 6):1028-35. doi: 10.1107/S2052252520012634. Online ahead of print. IUCrJ. 2020. PMID: 33063790 Free PMC article.

10

Malleability of the SARS-CoV-2 3CL M^pro Active-Site Cavity Facilitates Binding of Clinical Antivirals.

Kneller DW, Galanie S, Phillips G, O'Neill HM, Coates L, Kovalevsky A. Kneller DW, et al. Among authors: kovalevsky a. Structure. 2020 Dec 1;28(12):1313-1320.e3. doi: 10.1016/j.str.2020.10.007. Epub 2020 Oct 23. Structure. 2020. PMID: 33152262 Free PMC article.

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