{"id":"W4324135308","doi":"10.1016/j.jbc.2023.104606","title":"Interactions of hydrolyzed β-lactams with the L1 metallo-β-lactamase: Crystallography supports stereoselective binding of cephem/carbapenem products","year":2023,"lang":"en","type":"article","venue":"Journal of Biological Chemistry","topic":"Antibiotic Resistance in Bacteria","field":"Biochemistry, Genetics and Molecular Biology","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"National Institute of Allergy and Infectious Diseases; Biotechnology and Biological Sciences Research Council; U.S. Department of Veterans Affairs; Canadian Institutes of Health Research; Engineering and Physical Sciences Research Council; National Institutes of Health; BrisSynBio; Diamond Light Source","keywords":"Chemistry; Cephem; Carbapenem; Stereochemistry; Oxyanion hole; Combinatorial chemistry; Active site; Enzyme; Organic chemistry; Biochemistry; Antibiotics","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001644604,0.0004262861,0.0003328958,0.000112338,0.0002498814,0.0005361435,0.000749093,0.0003362566,0.00159231],"category_scores_gemma":[0.000354966,0.0002179459,0.0002336831,0.000149258,0.000204352,0.0002634766,0.0002038143,0.0009852486,0.0003177189],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008528632,"about_ca_system_score_gemma":0.0003503856,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.007381434,"about_ca_topic_score_gemma":0.004000178,"domain_scores_codex":[0.9997702,0.00003677093,0.000009881991,0.00005670717,0.00006635838,0.00006004335],"domain_scores_gemma":[0.9998556,0.00003887822,0.00003710231,0.00001024105,0.00002892873,0.00002921629],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0008289538,0.0003569947,0.006493293,0.0002180057,0.00006898396,0.0005860852,0.0003653245,0.01100208,0.9723004,0.0009078708,0.001107378,0.005764673],"study_design_scores_gemma":[0.0001164686,0.0003688182,0.009327352,0.00002519684,0.00004923428,0.0003590055,0.0002863686,0.08695429,0.8966312,0.0001834592,0.005656802,0.00004180169],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9969392,0.000616821,0.0008748324,0.0001203231,0.000007250606,0.000007305926,0.0002633085,0.00004290939,0.001128111],"genre_scores_gemma":[0.9958994,0.0005289274,0.001600966,0.00002845953,0.000003857434,0.000008364405,0.0008778342,0.00002374654,0.001028548],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007381434,"threshold_uncertainty_score":0.01467693,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01418353302792192,"score_gpt":0.2508620896122134,"score_spread":0.2366785565842915,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}