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Modelling covalent linkages in CCP4.
Nicholls RA, Joosten RP, Long F, Wojdyr M, Lebedev A, Krissinel E, Catapano L, Fischer M, Emsley P, Murshudov GN. Nicholls RA, et al. Among authors: catapano l. Acta Crystallogr D Struct Biol. 2021 Jun 1;77(Pt 6):712-726. doi: 10.1107/S2059798321001753. Epub 2021 May 19. Acta Crystallogr D Struct Biol. 2021. PMID: 34076587 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: catapano l. 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.
The missing link: covalent linkages in structural models.
Nicholls RA, Wojdyr M, Joosten RP, Catapano L, Long F, Fischer M, Emsley P, Murshudov GN. Nicholls RA, et al. Among authors: catapano l. Acta Crystallogr D Struct Biol. 2021 Jun 1;77(Pt 6):727-745. doi: 10.1107/S2059798321003934. Epub 2021 May 19. Acta Crystallogr D Struct Biol. 2021. PMID: 34076588 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. 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.
Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Zielinski KA, Prester A, Andaleeb H, Bui S, Yefanov O, Catapano L, Henkel A, Wiedorn MO, Lorbeer O, Crosas E, Meyer J, Mariani V, Domaracky M, White TA, Fleckenstein H, Sarrou I, Werner N, Betzel C, Rohde H, Aepfelbacher M, Chapman HN, Perbandt M, Steiner RA, Oberthuer D. Zielinski KA, et al. Among authors: catapano l. IUCrJ. 2022 Oct 31;9(Pt 6):778-791. doi: 10.1107/S2052252522010193. eCollection 2022 Nov 1. IUCrJ. 2022. PMID: 36381150 Free PMC article.
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. Among authors: catapano l. 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.