Agirre, J., Atanasova, M., Bagdonas, H., Ballard, C. B., Baslé, A., Beilsten-Edmands, J., Borges, R. J., Brown, D. G., Burgos-Mármol, J. J., Berrisford, J. M., Bond, P. S., Caballero, I., Catapano, L., Chojnowski, G., Cook, A. G., Cowtan, K. D., Croll, T. I., Debreczeni, J. É., Devenish, N. E., Dodson, E. J., Drevon, T. R., Emsley, P., Evans, G., Evans, P. R., Fando, M., Foadi, J., Fuentes-Montero, L., Garman, E. F., Gerstel, M., Gildea, R. J., Hatti, K., Hekkelman, M. L., Heuser, P., Hoh, S. W., Hough, M. A., Jenkins, H. T., Jiménez, E., Joosten, R. P., Keegan, R. M., Keep, N., Krissinel, E. B., Kolenko, P., Kovalevskiy, O., Lamzin, V. S., Lawson, D. M., Lebedev, A. A., Leslie, A. G. W., Lohkamp, B., Long, F., Malý, M., McCoy, A. J., McNicholas, S. J., Medina, A., Millán, C., Murray, J. W., Murshudov, G. N., Nicholls, R. A., Noble, M. E. M., Oeffner, R., Pannu, N. S., Parkhurst, J. M., Pearce, N., Pereira, J., Perrakis, A., Powell, H. R., Read, R. J., Rigden, D. J., Rochira, W., Sammito, M., Sánchez Rodríguez, F., Sheldrick, G. M., Shelley, K. L., Simkovic, F., Simpkin, A. J., Skubak, P., Sobolev, E., Steiner, R. A., Stevenson, K., Tews, I., Thomas, J. M. H., Thorn, A., Valls, J. T., Uski, V., Usón, I., Vagin, A., Velankar, S., Vollmar, M., Walden, H., Waterman, D., Wilson, K. S., Winn, M. D., Winter, G., Wojdyr, M. & Yamashita, K. (2023). Acta Cryst. D79, 449–461. Web of Science CrossRef IUCr Journals Google Scholar
Allen, F. H. (2002). Acta Cryst. B58, 380–388. Web of Science CrossRef CAS IUCr Journals Google Scholar
Anosova, O., Gorelov, A., Jeffcott, W., Jiang, Z. Q. & Kurlin, V. (2025). Match Commun. Math. Comput. Chem. 94, 97–134. CrossRef Google Scholar
Anosova, O., Kurlin, V. & Senechal, M. (2024). IUCrJ, 11, 453–463. Web of Science CrossRef CAS PubMed IUCr Journals Google Scholar
Armstrong, D. R., Berrisford, J. M., Conroy, M. J., Gutmanas, A., Anyango, S., Choudhary, P., Clark, A. R., Dana, J. M., Deshpande, M., Dunlop, R., Gane, P., Gáborová, R., Gupta, D., Haslam, P., Koča, J., Mak, L., Mir, S., Mukhopadhyay, A., Nadzirin, N., Nair, S., Paysan-Lafosse, T., Pravda, L., Sehnal, D., Salih, O., Smart, O., Tolchard, J., Varadi, M., Svobodova-Vařeková, R., Zaki, H., Kleywegt, G. J. & Velankar, S. (2020). Nucleic Acids Res. 48, D335–D343. Web of Science CAS PubMed Google Scholar
Blobaum, A. L., Xu, S., Rowlinson, S. W., Duggan, K. C., Banerjee, S., Kudalkar, S. N., Birmingham, W. R., Ghebreselasie, K. & Marnett, L. J. (2015). J. Biol. Chem. 290, 12793–12803. Web of Science CrossRef CAS PubMed Google Scholar
Bond, C. S. & Sussman, J. L. (2024). Acta Cryst. D80, 819–820. Web of Science CrossRef IUCr Journals Google Scholar
Bright, M., Cooper, A. I. & Kurlin, V. (2023). Acta Cryst. A79, 1–13. Web of Science CrossRef IUCr Journals Google Scholar
Brown, N. R., Korolchuk, S., Martin, M. P., Stanley, W. A., Moukhametzianov, R., Noble, M. E. M. & Endicott, J. A. (2015). Nat. Commun. 6, 6769. Web of Science CrossRef PubMed Google Scholar
Bryson, S., Julien, J. P., Hynes, R. C. & Pai, E. F. (2009). J. Virol. 83, 11862–11875. Web of Science CrossRef PubMed CAS Google Scholar
Bürgi, H. (1973). Inorg. Chem. 12, 2321–2325. Google Scholar
Bürgi, H. B., Dunitz, J. D. & Shefter, E. (1973). J. Am. Chem. Soc. 95, 5065–5067. Google Scholar
Burley, S. K., Berman, H. M., Christie, C., Duarte, J. M., Feng, Z., Westbrook, J., Young, J. & Zardecki, C. (2018). Protein Sci. 27, 316–330. Web of Science CrossRef CAS PubMed Google Scholar
Chen, Y., Song, G., Jiang, F., Feng, L., Zhang, X., Ding, Y., Bartlam, M., Yang, A., Ma, X., Ye, S., Liu, Y., Tang, H., Song, H. & Rao, Z. (2002). Eur. J. Biochem. 269, 705–711. Web of Science CrossRef PubMed CAS Google Scholar
Chen, Y., Wang, F., Yin, L., Jiang, H., Lu, X., Bi, Y., Zhang, W., Shi, Y., Burioni, R., Tong, Z., Song, H., Qi, J. & Gao, G. F. (2022). Nat. Commun. 13, 7603. Web of Science CrossRef PubMed Google Scholar
Cheng, J., Goldstein, R., Gershenson, A., Stec, B. & Roberts, M. F. (2013). J. Biol. Chem. 288, 14863–14873. Web of Science CrossRef CAS PubMed Google Scholar
Cheng, J., Goldstein, R., Stec, B., Gershenson, A. & Roberts, M. F. (2012). J. Biol. Chem. 287, 40317–40327. Web of Science CrossRef CAS PubMed Google Scholar
Cho, J. H., Kim, D. H., Chung, S. J., Ha, N.-C., Oh, B.-H. & Choi, K. Y, (2002). Bioorg. Med. Chem. 10, 2015–2022. Google Scholar
Choe, J.-Y., Nelson, S. W., Fromm, H. J. & Honzatko, R. B. (2003). J. Biol. Chem. 278, 16008–16014. Web of Science CrossRef PubMed CAS Google Scholar
Chou, C.-C., Sun, Y.-J., Meng, M. & Hsiao, C.-D. (2000). J. Biol. Chem. 275, 23154–23160. Web of Science CrossRef PubMed CAS Google Scholar
Combs, J., Bozdag, M., Cravey, L. D., Kota, A., McKenna, R., Angeli, A., Carta, F. & Supuran, C. T. (2023). Molecules, 28, 890. Web of Science CrossRef PubMed Google Scholar
Dauter, Z., Wlodawer, A., Minor, W., Jaskolski, M. & Rupp, B. (2014). IUCrJ, 1, 179–193. Web of Science CrossRef CAS PubMed IUCr Journals Google Scholar
Elkin, Y. & Kurlin, V. (2023). Proc. Mach. Learn. Res. 202, 9267–9311. Google Scholar
Fermi, G., Perutz, M. F., Shaanan, B. & Fourme, R. (1984). J. Mol. Biol. 175, 159–174. CrossRef CAS PubMed Web of Science Google Scholar
Fernandez-Catalan, C., Bode, W., Huber, R., Turk, D., Calvete, J. J., Lichte, A., Tschesche, H. & Maskos, K. (1998). EMBO J. 17, 5238–5248. Web of Science CrossRef CAS PubMed Google Scholar
Fitzgerald, M. M., Musah, R. A., McRee, D. E. & Goodin, D. B. (1996). Nat. Struct. Mol. Biol. 3, 626–631. CrossRef CAS Web of Science Google Scholar
Forst, D., Welte, W., Wacker, T. & Diederichs, K. (1998). Nat. Struct. Mol. Biol. 5, 37–46. Web of Science CrossRef CAS Google Scholar
Fullerton, S. W., Griffiths, J. S., Merkel, A. B., Cheriyan, M., Wymer, N. J., Hutchins, M. J., Fierke, C. A., Toone, E. J. & Naismith, J. H. (2006). Bioorg. Med. Chem. 14, 3002–3010. Web of Science CrossRef PubMed CAS Google Scholar
Grabowski, M., Macnar, J. M., Cymborowski, M., Cooper, D. R., Shabalin, I. G., Gilski, M., Brzezinski, D., Kowiel, M., Dauter, Z., Rupp, B., Wlodawer, A., Jaskolski, M. & Minor, W. (2021). IUCrJ, 8, 395–407. Web of Science CrossRef CAS PubMed IUCr Journals Google Scholar
Guillard, S., Kolasinska-Zwierz, P., Debreczeni, J., Breed, J., Zhang, J., Bery, N., Marwood, R., Tart, J., Overman, R., Stocki, P., Mistry, B., Phillips, C., Rabbitts, T., Jackson, R. & Minter, R. (2017). Nat. Commun. 8, 16111. Web of Science CrossRef PubMed Google Scholar
Harrison, W. T. A., Simpson, J. & Weil, M. (2010). Acta Cryst. E66, e1–e2. Web of Science CrossRef IUCr Journals Google Scholar
Heathcock, C. H. & Flippin, L. A. (1983). J. Am. Chem. Soc. 105, 1667–1668. CrossRef CAS Web of Science Google Scholar
Holm, L. (2022). Nucleic Acids Res. 50, W210–W215. Web of Science CrossRef CAS PubMed Google Scholar
Jaskolski, M., Wlodawer, A., Dauter, Z., Minor, W. & Rupp, B. (2022). Protein Sci. 31, 784–786. Web of Science CrossRef CAS PubMed Google Scholar
Jin, X., Townley, R. & Shapiro, L. (2007). Structure, 15, 1285–1295. Web of Science CrossRef PubMed CAS Google Scholar
Joosten, R. P., Joosten, K., Murshudov, G. N. & Perrakis, A. (2012). Acta Cryst. D68, 484–496. Web of Science CrossRef CAS IUCr Journals Google Scholar
Julien, J.-P., Bryson, S., Nieva, J. L. & Pai, E. F. (2008). J. Mol. Biol. 384, 377–392. Web of Science CrossRef PubMed CAS Google Scholar
Jumper, J., Evans, R., Pritzel, A., Green, T., Figurnov, M., Ronneberger, O., Tunyasuvunakool, K., Bates, R., Žídek, A., Potapenko, A., Bridgland, A., Meyer, C., Kohl, S. A. A., Ballard, A. J., Cowie, A., Romera-Paredes, B., Nikolov, S., Jain, R., Adler, J., Back, T., Petersen, S., Reiman, D., Clancy, E., Zielinski, M., Steinegger, M., Pacholska, M., Berghammer, T., Bodenstein, S., Silver, D., Vinyals, O., Senior, A. W., Kavukcuoglu, K., Kohli, P. & Hassabis, D. (2021). Nature, 596, 583–589. Web of Science CrossRef CAS PubMed Google Scholar
Katz, B. A., Elrod, K., Verner, E., Mackman, R. L., Luong, C., Shrader, W. D., Sendzik, M., Spencer, J. R., Sprengeler, P. A., Kolesnikov, A., Tai, V. W., Hui, H. C., Breitenbucher, J. G., Allen, D. & Janc, J. W. (2003). J. Mol. Biol. 329, 93–120. Web of Science CrossRef PubMed CAS Google Scholar
Kleywegt, G. J. (2000). Acta Cryst. D56, 249–265. Web of Science CrossRef CAS IUCr Journals Google Scholar
Kleywegt, G. J., Hoier, H. & Jones, T. A. (1996). Acta Cryst. D52, 858–863. CrossRef CAS Web of Science IUCr Journals Google Scholar
Kleywegt, G. J. & Jones, T. A. (1995). Structure, 3, 535–540. CrossRef CAS PubMed Web of Science Google Scholar
Koropatkin, N., Randich, A. M., Bhattacharyya-Pakrasi, M., Pakrasi, H. B. & Smith, T. J. (2007). J. Biol. Chem. 282, 27468–27477. Web of Science CrossRef PubMed CAS Google Scholar
Kosman, R. P., Gouaux, J. E. & Lipscomb, W. N. (1993). Proteins, 15, 147–176. CrossRef CAS PubMed Web of Science Google Scholar
Krauspenhaar, R., Eschenburg, S., Perbandt, M., Kornilov, V., Konareva, N., Mikailova, I., Stoeva, S., Wacker, R., Maier, T., Singh, T., Mikhailov, A., Voelter, W. & Betzel, C. (1999). Biochem. Biophys. Res. Commun. 257, 418–424. Web of Science CrossRef PubMed CAS Google Scholar
Krishnan, R., Zhang, E., Hakansson, K., Arni, R. K., Tulinsky, A., Lim-Wilby, M. S. L., Levy, O. E., Semple, J. E. & Brunck, T. K. (1998). Biochemistry, 37, 12094–12103. Web of Science CrossRef CAS PubMed Google Scholar
Kulik, V., Hartmann, E., Weyand, M., Frey, M., Gierl, A., Niks, D., Dunn, M. F. & Schlichting, I. (2005). J. Mol. Biol. 352, 608–620. Web of Science CrossRef PubMed CAS Google Scholar
Kurlin, V. (2024). Match Commun. Math. Comput. Chem. 91, 79–108. Web of Science CrossRef Google Scholar
Kushwaha, G. S., Yamini, S., Kumar, M., Sinha, M., Kaur, P., Sharma, S. & Singh, T. P. (2013). Proteins, 81, 896–905. Web of Science CrossRef CAS PubMed Google Scholar
Liang, J., Choi, J. & Clardy, J. (1999). Acta Cryst. D55, 736–744. Web of Science CrossRef CAS IUCr Journals Google Scholar
Lubkowski, J. & Wlodawer, A. (2019). Protein Sci. 28, 1850–1864. Web of Science CrossRef CAS PubMed Google Scholar
Mariani, V., Biasini, M., Barbato, A. & Schwede, T. (2013). Bioinformatics, 29, 2722–2728. Web of Science CrossRef CAS PubMed Google Scholar
Mattison, K., Wilbur, J. S., So, M. & Brennan, R. G. (2006). J. Biol. Chem. 281, 37942–37951. Web of Science CrossRef PubMed
Comments (0)