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Potent and Selective Covalent Inhibition of the Papain-like Protease from SARS-CoV-2.
Sanders B, Pokhrel S, Labbe A, Mathews I, Cooper C, Davidson R, Phillips G, Weiss K, Zhang Q, O'Neill H, Kaur M, Ferrins L, Schmidt J, Reichard W, Surendranathan S, Parvathareddy J, Phillips L, Rainville C, Sterner D, Kumaran D, Andi B, Babnigg G, Moriarty N, Adams P, Joachimiak A, Hurst B, Kumar S, Butt T, Jonsson C, Wakatsuki S, Galanie S, Head M, Parks J. Sanders B, et al. Among authors: moriarty n. Res Sq [Preprint]. 2022 Jul 21:rs.3.rs-1840200. doi: 10.21203/rs.3.rs-1840200/v1. Res Sq. 2022. PMID: 35898342 Free PMC article. Updated. Preprint.
Untangling the sequence of events during the S2 → S3 transition in photosystem II and implications for the water oxidation mechanism.
Ibrahim M, Fransson T, Chatterjee R, Cheah MH, Hussein R, Lassalle L, Sutherlin KD, Young ID, Fuller FD, Gul S, Kim IS, Simon PS, de Lichtenberg C, Chernev P, Bogacz I, Pham CC, Orville AM, Saichek N, Northen T, Batyuk A, Carbajo S, Alonso-Mori R, Tono K, Owada S, Bhowmick A, Bolotovsky R, Mendez D, Moriarty NW, Holton JM, Dobbek H, Brewster AS, Adams PD, Sauter NK, Bergmann U, Zouni A, Messinger J, Kern J, Yachandra VK, Yano J. Ibrahim M, et al. Among authors: moriarty nw. Proc Natl Acad Sci U S A. 2020 Jun 9;117(23):12624-12635. doi: 10.1073/pnas.2000529117. Epub 2020 May 20. Proc Natl Acad Sci U S A. 2020. PMID: 32434915 Free PMC article.
Real-space quantum-based refinement for cryo-EM: Q|R#3.
Wang L, Kruse H, Sobolev OV, Moriarty NW, Waller MP, Afonine PV, Biczysko M. Wang L, et al. Acta Crystallogr D Struct Biol. 2020 Dec 1;76(Pt 12):1184-1191. doi: 10.1107/S2059798320013194. Epub 2020 Nov 19. Acta Crystallogr D Struct Biol. 2020. PMID: 33263324
Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Kern J, Chatterjee R, Young ID, Fuller FD, Lassalle L, Ibrahim M, Gul S, Fransson T, Brewster AS, Alonso-Mori R, Hussein R, Zhang M, Douthit L, de Lichtenberg C, Cheah MH, Shevela D, Wersig J, Seuffert I, Sokaras D, Pastor E, Weninger C, Kroll T, Sierra RG, Aller P, Butryn A, Orville AM, Liang M, Batyuk A, Koglin JE, Carbajo S, Boutet S, Moriarty NW, Holton JM, Dobbek H, Adams PD, Bergmann U, Sauter NK, Zouni A, Messinger J, Yano J, Yachandra VK. Kern J, et al. Nature. 2018 Nov;563(7731):421-425. doi: 10.1038/s41586-018-0681-2. Epub 2018 Nov 7. Nature. 2018. PMID: 30405241 Free PMC article.
The Phenix software for automated determination of macromolecular structures.
Adams PD, Afonine PV, Bunkóczi G, Chen VB, Echols N, Headd JJ, Hung LW, Jain S, Kapral GJ, Grosse Kunstleve RW, McCoy AJ, Moriarty NW, Oeffner RD, Read RJ, Richardson DC, Richardson JS, Terwilliger TC, Zwart PH. Adams PD, et al. Among authors: moriarty nw. Methods. 2011 Sep;55(1):94-106. doi: 10.1016/j.ymeth.2011.07.005. Epub 2011 Jul 29. Methods. 2011. PMID: 21821126 Free PMC article.
XFEL serial crystallography reveals the room temperature structure of methyl-coenzyme M reductase.
Ohmer CJ, Dasgupta M, Patwardhan A, Bogacz I, Kaminsky C, Doyle MD, Chen PY, Keable SM, Makita H, Simon PS, Massad R, Fransson T, Chatterjee R, Bhowmick A, Paley DW, Moriarty NW, Brewster AS, Gee LB, Alonso-Mori R, Moss F, Fuller FD, Batyuk A, Sauter NK, Bergmann U, Drennan CL, Yachandra VK, Yano J, Kern JF, Ragsdale SW. Ohmer CJ, et al. J Inorg Biochem. 2022 May;230:111768. doi: 10.1016/j.jinorgbio.2022.111768. Epub 2022 Feb 17. J Inorg Biochem. 2022. PMID: 35202981 Free PMC article.
Azasugar inhibitors as pharmacological chaperones for Krabbe disease.
Hill CH, Viuff AH, Spratley SJ, Salamone S, Christensen SH, Read RJ, Moriarty NW, Jensen HH, Deane JE. Hill CH, et al. Chem Sci. 2015 May 20;6(5):3075-3086. doi: 10.1039/c5sc00754b. Epub 2015 Mar 30. Chem Sci. 2015. PMID: 26029356 Free PMC article.
Solving the scalability issue in quantum-based refinement: Q|R#1.
Zheng M, Moriarty NW, Xu Y, Reimers JR, Afonine PV, Waller MP. Zheng M, et al. Acta Crystallogr D Struct Biol. 2017 Dec 1;73(Pt 12):1020-1028. doi: 10.1107/S2059798317016746. Epub 2017 Nov 30. Acta Crystallogr D Struct Biol. 2017. PMID: 29199981 Free PMC article.
MolProbity: More and better reference data for improved all-atom structure validation.
Williams CJ, Headd JJ, Moriarty NW, Prisant MG, Videau LL, Deis LN, Verma V, Keedy DA, Hintze BJ, Chen VB, Jain S, Lewis SM, Arendall WB 3rd, Snoeyink J, Adams PD, Lovell SC, Richardson JS, Richardson DC. Williams CJ, et al. Among authors: moriarty nw. Protein Sci. 2018 Jan;27(1):293-315. doi: 10.1002/pro.3330. Epub 2017 Nov 27. Protein Sci. 2018. PMID: 29067766 Free PMC article.
99 results