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Page 1
Outcomes of the EMDataResource Cryo-EM Ligand Modeling Challenge.
Lawson CL, Kryshtafovych A, Pintilie GD, Burley SK, Černý J, Chen VB, Emsley P, Gobbi A, Joachimiak A, Noreng S, Prisant M, Read RJ, Richardson JS, Rohou AL, Schneider B, Sellers BD, Shao C, Sourial E, Williams CI, Williams CJ, Yang Y, Abbaraju V, Afonine PV, Baker ML, Bond PS, Blundell TL, Burnley T, Campbell A, Cao R, Cheng J, Chojnowski G, Cowtan KD, DiMaio F, Esmaeeli R, Giri N, Grubmüller H, Hoh SW, Hou J, Hryc CF, Hunte C, Igaev M, Joseph AP, Kao WC, Kihara D, Kumar D, Lang L, Lin S, Maddhuri Venkata Subramaniya SR, Mittal S, Mondal A, Moriarty NW, Muenks A, Murshudov GN, Nicholls RA, Olek M, Palmer CM, Perez A, Pohjolainen E, Pothula KR, Rowley CN, Sarkar D, Schäfer LU, Schlicksup CJ, Schröder GF, Shekhar M, Si D, Singharoy A, Sobolev OV, Terashi G, Vaiana AC, Vedithi SC, Verburgt J, Wang X, Warshamanage R, Winn MD, Weyand S, Yamashita K, Zhao M, Schmid MF, Berman HM, Chiu W. Lawson CL, et al. Among authors: moriarty nw. Res Sq [Preprint]. 2024 Jan 25:rs.3.rs-3864137. doi: 10.21203/rs.3.rs-3864137/v1. Res Sq. 2024. PMID: 38343795 Free PMC article. Preprint.
Author Correction: Structural evidence for intermediates during O2 formation in photosystem II.
Bhowmick A, Hussein R, Bogacz I, Simon PS, Ibrahim M, Chatterjee R, Doyle MD, Cheah MH, Fransson T, Chernev P, Kim IS, Makita H, Dasgupta M, Kaminsky CJ, Zhang M, Gätcke J, Haupt S, Nangca II, Keable SM, Aydin AO, Tono K, Owada S, Gee LB, Fuller FD, Batyuk A, Alonso-Mori R, Holton JM, Paley DW, Moriarty NW, Mamedov F, Adams PD, Brewster AS, Dobbek H, Sauter NK, Bergmann U, Zouni A, Messinger J, Kern J, Yano J, Yachandra VK. Bhowmick A, et al. Among authors: moriarty nw. Nature. 2024 Feb;626(7999):E12. doi: 10.1038/s41586-024-07099-4. Nature. 2024. PMID: 38291188 Free PMC article. No abstract available.
Improved joint X-ray and neutron refinement procedure in Phenix.
Liebschner D, Afonine PV, Poon BK, Moriarty NW, Adams PD. Liebschner D, et al. Among authors: moriarty nw. Acta Crystallogr D Struct Biol. 2023 Dec 1;79(Pt 12):1079-1093. doi: 10.1107/S2059798323008914. Epub 2023 Nov 9. Acta Crystallogr D Struct Biol. 2023. PMID: 37942718 Free PMC article.
Overall protein structure quality assessment using hydrogen-bonding parameters.
Afonine PV, Sobolev OV, Moriarty NW, Terwilliger TC, Adams PD. Afonine PV, et al. Among authors: moriarty nw. Acta Crystallogr D Struct Biol. 2023 Aug 1;79(Pt 8):684-693. doi: 10.1107/S2059798323005077. Epub 2023 Jul 11. Acta Crystallogr D Struct Biol. 2023. PMID: 37431759 Free PMC article.
Structural evidence for intermediates during O2 formation in photosystem II.
Bhowmick A, Hussein R, Bogacz I, Simon PS, Ibrahim M, Chatterjee R, Doyle MD, Cheah MH, Fransson T, Chernev P, Kim IS, Makita H, Dasgupta M, Kaminsky CJ, Zhang M, Gätcke J, Haupt S, Nangca II, Keable SM, Aydin AO, Tono K, Owada S, Gee LB, Fuller FD, Batyuk A, Alonso-Mori R, Holton JM, Paley DW, Moriarty NW, Mamedov F, Adams PD, Brewster AS, Dobbek H, Sauter NK, Bergmann U, Zouni A, Messinger J, Kern J, Yano J, Yachandra VK. Bhowmick A, et al. Among authors: moriarty nw. Nature. 2023 May;617(7961):629-636. doi: 10.1038/s41586-023-06038-z. Epub 2023 May 3. Nature. 2023. PMID: 37138085 Free PMC article.
Potent and selective covalent inhibition of the papain-like protease from SARS-CoV-2.
Sanders BC, Pokhrel S, Labbe AD, Mathews II, Cooper CJ, Davidson RB, Phillips G, Weiss KL, Zhang Q, O'Neill H, Kaur M, Schmidt JG, Reichard W, Surendranathan S, Parvathareddy J, Phillips L, Rainville C, Sterner DE, Kumaran D, Andi B, Babnigg G, Moriarty NW, Adams PD, Joachimiak A, Hurst BL, Kumar S, Butt TR, Jonsson CB, Ferrins L, Wakatsuki S, Galanie S, Head MS, Parks JM. Sanders BC, et al. Among authors: moriarty nw. Nat Commun. 2023 Mar 28;14(1):1733. doi: 10.1038/s41467-023-37254-w. Nat Commun. 2023. PMID: 36977673 Free PMC article.
In situ ligand restraints from quantum-mechanical methods.
Liebschner D, Moriarty NW, Poon BK, Adams PD. Liebschner D, et al. Among authors: moriarty nw. Acta Crystallogr D Struct Biol. 2023 Feb 1;79(Pt 2):100-110. doi: 10.1107/S2059798323000025. Epub 2023 Jan 20. Acta Crystallogr D Struct Biol. 2023. PMID: 36762856 Free PMC article.
PDBx/mmCIF Ecosystem: Foundational Semantic Tools for Structural Biology.
Westbrook JD, Young JY, Shao C, Feng Z, Guranovic V, Lawson CL, Vallat B, Adams PD, Berrisford JM, Bricogne G, Diederichs K, Joosten RP, Keller P, Moriarty NW, Sobolev OV, Velankar S, Vonrhein C, Waterman DG, Kurisu G, Berman HM, Burley SK, Peisach E. Westbrook JD, et al. Among authors: moriarty nw. J Mol Biol. 2022 Jun 15;434(11):167599. doi: 10.1016/j.jmb.2022.167599. Epub 2022 Apr 20. J Mol Biol. 2022. PMID: 35460671 Free PMC article. Review.
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. Among authors: moriarty nw. 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.
A radical approach to radicals.
Liu Y, Biczysko M, Moriarty NW. Liu Y, et al. Among authors: moriarty nw. Acta Crystallogr D Struct Biol. 2022 Jan 1;78(Pt 1):43-51. doi: 10.1107/S2059798321010809. Epub 2022 Jan 1. Acta Crystallogr D Struct Biol. 2022. PMID: 34981760
65 results