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J."},{"key":"10.1016\/j.abb.2025.110288_bib62","first-page":"82","article-title":"PyMOL: an open-source molecular graphics tool","volume":"40","author":"Delano","year":"2002","journal-title":"CCP4 Newsletter On Protein Crystallogr."},{"issue":"D1","key":"10.1016\/j.abb.2025.110288_bib63","doi-asserted-by":"crossref","first-page":"D733","DOI":"10.1093\/nar\/gkv1189","article-title":"Reference sequence (RefSeq) database at NCBI: current status, taxonomic expansion, and functional annotation","volume":"44","author":"O'Leary","year":"2016","journal-title":"Nucleic Acids Res."},{"issue":"D1","key":"10.1016\/j.abb.2025.110288_bib64","doi-asserted-by":"crossref","first-page":"D418","DOI":"10.1093\/nar\/gkac993","article-title":"InterPro in 2022","volume":"51","author":"Paysan-Lafosse","year":"2023","journal-title":"Nucleic Acids Res."},{"issue":"6","key":"10.1016\/j.abb.2025.110288_bib65","doi-asserted-by":"crossref","first-page":"1188","DOI":"10.1101\/gr.849004","article-title":"WebLogo: a sequence logo generator","volume":"14","author":"Crooks","year":"2004","journal-title":"Genome Res."},{"issue":"7","key":"10.1016\/j.abb.2025.110288_bib66","doi-asserted-by":"crossref","first-page":"3022","DOI":"10.1093\/molbev\/msab120","article-title":"MEGA11: molecular evolutionary genetics analysis version 11","volume":"38","author":"Tamura","year":"2021","journal-title":"Mol. Biol. Evol."},{"issue":"2","key":"10.1016\/j.abb.2025.110288_bib67","doi-asserted-by":"crossref","first-page":"170","DOI":"10.1007\/BF02100115","article-title":"Evaluation of the maximum likelihood estimate of the evolutionary tree topologies from DNA sequence data, and the branching order in hominoidea","volume":"29","author":"Kishino","year":"1989","journal-title":"J. Mol. Evol."},{"issue":"7","key":"10.1016\/j.abb.2025.110288_bib68","doi-asserted-by":"crossref","first-page":"741","DOI":"10.1016\/j.tplants.2020.12.011","article-title":"Zn2+-Dependent histone deacetylases in plants: structure and Evolution","volume":"26","author":"Yruela","year":"2021","journal-title":"Trends Plant Sci."},{"issue":"6","key":"10.1016\/j.abb.2025.110288_bib69","doi-asserted-by":"crossref","first-page":"1618","DOI":"10.1111\/nph.16444","article-title":"Plant hemoglobins: a journey from unicellular green algae to vascular plants","volume":"227","author":"Becana","year":"2020","journal-title":"New Phytol."},{"issue":"W1","key":"10.1016\/j.abb.2025.110288_bib70","doi-asserted-by":"crossref","first-page":"W260","DOI":"10.1093\/nar\/gkz303","article-title":"NGPhylogeny.fr: new generation phylogenetic services for non-specialists","volume":"47","author":"Lemoine","year":"2019","journal-title":"Nucleic Acids Res."},{"issue":"7","key":"10.1016\/j.abb.2025.110288_bib71","doi-asserted-by":"crossref","first-page":"2302","DOI":"10.1093\/nar\/gki524","article-title":"TM-align: a protein structure alignment algorithm based on the TM-score","volume":"33","author":"Zhang","year":"2005","journal-title":"Nucleic Acids Res."},{"key":"10.1016\/j.abb.2025.110288_bib72","doi-asserted-by":"crossref","first-page":"362","DOI":"10.3389\/fmicb.2016.00362","article-title":"Identification and partial characterization of a novel UDP-N-acetylenolpyruvoylglucosamine reductase\/UDP-N-Acetylmuramate:l-Alanine ligase fusion enzyme from Verrucomicrobium spinosum DSM 4136(T)","volume":"7","author":"Naqvi","year":"2016","journal-title":"Front. Microbiol."},{"key":"10.1016\/j.abb.2025.110288_bib73","doi-asserted-by":"crossref","first-page":"1781","DOI":"10.1039\/b517881a","article-title":"A lag-phase in the reduction of flavin dependent thymidylate synthase (FDTS) revealed a mechanistic missing link","volume":"16","author":"Mason","year":"2006","journal-title":"Chem. Commun."},{"issue":"9","key":"10.1016\/j.abb.2025.110288_bib74","doi-asserted-by":"crossref","first-page":"1712","DOI":"10.1110\/ps.12801","article-title":"Sequence-structure analysis of FAD-containing proteins","volume":"10","author":"Dym","year":"2001","journal-title":"Protein Sci."},{"issue":"24","key":"10.1016\/j.abb.2025.110288_bib75","doi-asserted-by":"crossref","first-page":"15167","DOI":"10.1016\/S0021-9258(18)33408-2","article-title":"Purification and properties of the biotin repressor. A bifunctional protein","volume":"257","author":"Eisenberg","year":"1982","journal-title":"J. Biol. 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