{"doi":"10.3390/biom10050671","title":"Structures of FOX-4 Cephamycinase in Complex with Transition-State Analog Inhibitors","abstract":"Boronic acid transition-state analog inhibitors (BATSIs) are partners with β-lactam antibiotics for the treatment of complex bacterial infections. Herein, microbiological, biochemical, and structural findings on four BATSIs with the FOX-4 cephamycinase, a class C β-lactamase that rapidly hydrolyzes cefoxitin, are revealed. FOX-4 is an extended-spectrum class C cephalosporinase that demonstrates conformational flexibility when complexed with certain ligands. Like other β-lactamases of this class, studies on FOX-4 reveal important insights into structure–activity relationships. We show that SM23, a BATSI, shows both remarkable flexibility and affinity, binding similarly to other β-lactamases, yet retaining an IC50 value < 0.1 μM. Our analyses open up new opportunities for the design of novel transition-state analogs of class C enzymes.","journal":"Biomolecules","year":2020,"id":114496,"datarank":0.0,"base_score":0.0,"endowment":0.0,"self_citation_contribution":0.0,"citation_network_contribution":0.0,"self_endowment_contribution":0.0,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":6,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":0.9528,"is_data_producer":false,"deposit_databanks":null,"is_oa":true,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"2020-01-01","fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":538000,"name":"Emilia Caselli","orcid":"0000-0002-7248-9453","position":1,"is_corresponding":false},{"id":272734,"name":"Magdalena A. Taracila","orcid":null,"position":2,"is_corresponding":false},{"id":538820,"name":"V.N. Malashkevich","orcid":null,"position":3,"is_corresponding":false},{"id":538821,"name":"Beena Biju","orcid":null,"position":4,"is_corresponding":false},{"id":270505,"name":"Krisztina M. Papp‐Wallace","orcid":"0000-0002-9976-7898","position":5,"is_corresponding":false},{"id":475732,"name":"J.B. Bonanno","orcid":"0000-0003-0863-7826","position":6,"is_corresponding":false},{"id":538001,"name":"Fabio Prati","orcid":"0000-0002-0650-9540","position":7,"is_corresponding":false},{"id":230350,"name":"Steven C. Almo","orcid":"0000-0003-2591-5234","position":8,"is_corresponding":false},{"id":232761,"name":"Robert A. Bonomo","orcid":"0000-0002-3299-894X","position":9,"is_corresponding":false},{"id":537999,"name":"Scott T. Lefurgy","orcid":"0000-0003-3134-2524","position":0,"is_corresponding":true}],"reference_count":51,"raw_metadata":null,"created_at":"2026-07-18T23:13:29.674622Z","pmid":"32349291","pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}