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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: murshudov gn. 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.
Community recommendations on cryoEM data archiving and validation: Outcomes of a wwPDB/EMDB workshop on cryoEM data management, deposition and validation.
Kleywegt GJ, Adams PD, Butcher SJ, Lawson CL, Rohou A, Rosenthal PB, Subramaniam S, Topf M, Abbott S, Baldwin PR, Berrisford JM, Bricogne G, Choudhary P, Croll TI, Danev R, Ganesan SJ, Grant T, Gutmanas A, Henderson R, Heymann JB, Huiskonen JT, Istrate A, Kato T, Lander GC, Lok SM, Ludtke SJ, Murshudov GN, Pye R, Pintilie GD, Richardson JS, Sachse C, Salih O, Scheres SHW, Schroeder GF, Sorzano COS, Stagg SM, Wang Z, Warshamanage R, Westbrook JD, Winn MD, Young JY, Burley SK, Hoch JC, Kurisu G, Morris K, Patwardhan A, Velankar S. Kleywegt GJ, et al. Among authors: murshudov gn. ArXiv [Preprint]. 2024 Feb 2:arXiv:2311.17640v3. ArXiv. 2024. PMID: 38076521 Free PMC article. Updated. Preprint.
A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus.
Bolton R, Machelett MM, Stubbs J, Axford D, Caramello N, Catapano L, Malý M, Rodrigues MJ, Cordery C, Tizzard GJ, MacMillan F, Engilberge S, von Stetten D, Tosha T, Sugimoto H, Worrall JAR, Webb JS, Zubkov M, Coles S, Mathieu E, Steiner RA, Murshudov G, Schrader TE, Orville AM, Royant A, Evans G, Hough MA, Owen RL, Tews I. Bolton R, et al. Proc Natl Acad Sci U S A. 2024 Mar 19;121(12):e2308478121. doi: 10.1073/pnas.2308478121. Epub 2024 Mar 15. Proc Natl Acad Sci U S A. 2024. PMID: 38489389 Free article.
Community recommendations on cryoEM data archiving and validation.
Kleywegt GJ, Adams PD, Butcher SJ, Lawson CL, Rohou A, Rosenthal PB, Subramaniam S, Topf M, Abbott S, Baldwin PR, Berrisford JM, Bricogne G, Choudhary P, Croll TI, Danev R, Ganesan SJ, Grant T, Gutmanas A, Henderson R, Heymann JB, Huiskonen JT, Istrate A, Kato T, Lander GC, Lok SM, Ludtke SJ, Murshudov GN, Pye R, Pintilie GD, Richardson JS, Sachse C, Salih O, Scheres SHW, Schroeder GF, Sorzano COS, Stagg SM, Wang Z, Warshamanage R, Westbrook JD, Winn MD, Young JY, Burley SK, Hoch JC, Kurisu G, Morris K, Patwardhan A, Velankar S. Kleywegt GJ, et al. Among authors: murshudov gn. IUCrJ. 2024 Mar 1;11(Pt 2):140-151. doi: 10.1107/S2052252524001246. IUCrJ. 2024. PMID: 38358351 Free PMC article.
Neutron crystallographic refinement with REFMAC5 from the CCP4 suite.
Catapano L, Long F, Yamashita K, Nicholls RA, Steiner RA, Murshudov GN. Catapano L, et al. Among authors: murshudov gn. Acta Crystallogr D Struct Biol. 2023 Dec 1;79(Pt 12):1056-1070. doi: 10.1107/S2059798323008793. Epub 2023 Nov 3. Acta Crystallogr D Struct Biol. 2023. PMID: 37921806 Free PMC article.
The CCP4 suite: integrative software for macromolecular crystallography.
Agirre J, Atanasova M, Bagdonas H, Ballard CB, Baslé A, Beilsten-Edmands J, Borges RJ, Brown DG, Burgos-Mármol JJ, Berrisford JM, Bond PS, Caballero I, Catapano L, Chojnowski G, Cook AG, Cowtan KD, Croll TI, Debreczeni JÉ, Devenish NE, Dodson EJ, Drevon TR, Emsley P, Evans G, Evans PR, Fando M, Foadi J, Fuentes-Montero L, Garman EF, Gerstel M, Gildea RJ, Hatti K, Hekkelman ML, Heuser P, Hoh SW, Hough MA, Jenkins HT, Jiménez E, Joosten RP, Keegan RM, Keep N, Krissinel EB, Kolenko P, Kovalevskiy O, Lamzin VS, Lawson DM, Lebedev AA, Leslie AGW, Lohkamp B, Long F, Malý M, McCoy AJ, McNicholas SJ, Medina A, Millán C, Murray JW, Murshudov GN, Nicholls RA, Noble MEM, Oeffner R, Pannu NS, Parkhurst JM, Pearce N, Pereira J, Perrakis A, Powell HR, Read RJ, Rigden DJ, Rochira W, Sammito M, Sánchez Rodríguez F, Sheldrick GM, Shelley KL, Simkovic F, Simpkin AJ, Skubak P, Sobolev E, Steiner RA, Stevenson K, Tews I, Thomas JMH, Thorn A, Valls JT, Uski V, Usón I, Vagin A, Velankar S, Vollmar M, Walden H, Waterman D, Wilson KS, Winn MD, Winter G, Wojdyr M, Yamashita K. Agirre J, et al. Among authors: murshudov gn. Acta Crystallogr D Struct Biol. 2023 Jun 1;79(Pt 6):449-461. doi: 10.1107/S2059798323003595. Epub 2023 May 30. Acta Crystallogr D Struct Biol. 2023. PMID: 37259835 Free PMC article.
GEMMI and Servalcat restrain REFMAC5.
Yamashita K, Wojdyr M, Long F, Nicholls RA, Murshudov GN. Yamashita K, et al. Among authors: murshudov gn. Acta Crystallogr D Struct Biol. 2023 May 1;79(Pt 5):368-373. doi: 10.1107/S2059798323002413. Epub 2023 May 4. Acta Crystallogr D Struct Biol. 2023. PMID: 37158197 Free PMC article.
EMDA: A Python package for Electron Microscopy Data Analysis.
Warshamanage R, Yamashita K, Murshudov GN. Warshamanage R, et al. Among authors: murshudov gn. J Struct Biol. 2022 Mar;214(1):107826. doi: 10.1016/j.jsb.2021.107826. Epub 2021 Dec 13. J Struct Biol. 2022. PMID: 34915128 Free PMC article.
87 results