{"id":"W2788312895","doi":"10.1021/acs.biochem.7b01299","title":"Structural and Kinetic Studies of the Potent Inhibition of Metallo-β-lactamases by 6-Phosphonomethylpyridine-2-carboxylates","year":2018,"lang":"en","type":"article","venue":"Biochemistry","topic":"Antibiotic Resistance in Bacteria","field":"Biochemistry, Genetics and Molecular Biology","cited_by":62,"is_retracted":false,"has_abstract":true,"ca_institutions":"Laurentian University; University of Waterloo","funders":"National Institute of Allergy and Infectious Diseases; Engineering and Physical Sciences Research Council; Secretaría de Educación Superior, Ciencia, Tecnología e Innovación; Canadian Institutes of Health Research; National Institutes of Health; Medical Research Council; Diamond Light Source","keywords":"Chemistry; Phosphonate; Nucleophile; Pyridine; Active site; Carboxylate; Stereochemistry; Hydroxide; Binding site; Enzyme; Combinatorial chemistry; Medicinal chemistry; Biochemistry; Organic chemistry; Catalysis","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00008202212,0.0001417291,0.0001931512,0.00001090793,0.00004951108,0.000007157895,0.0001359248,0.000108359,0.00001058351],"category_scores_gemma":[0.0001962815,0.0001051132,0.00007486308,0.00007766983,0.0008685359,0.000003021896,0.0001795706,0.00004288718,3.243534e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001061727,"about_ca_system_score_gemma":0.00003331339,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001434634,"about_ca_topic_score_gemma":0.000002791498,"domain_scores_codex":[0.9992196,0.00002369782,0.0002610701,0.0002503016,0.0001120213,0.0001333269],"domain_scores_gemma":[0.9992441,0.00001583492,0.0002161434,0.0003325009,0.0001577514,0.00003366629],"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":[0.00005451495,0.00001574094,0.006540966,0.0001129614,0.00009661637,1.827361e-7,0.00002836364,4.370821e-7,0.9921139,0.00001035667,0.0008223735,0.0002035407],"study_design_scores_gemma":[0.0002340209,0.0001085514,0.0110159,0.00005968954,0.00004237788,0.00000566893,0.0001875337,0.00000682016,0.987977,0.00006093457,0.0001895138,0.0001119907],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9940944,0.005415499,0.000008343103,0.00007074719,0.0001132318,0.00009093764,0.00006698181,0.000004135498,0.0001356634],"genre_scores_gemma":[0.9990277,0.0003067485,0.0002587427,0.00002896708,0.00009789842,0.000002386356,0.00003347002,0.00001209259,0.0002320382],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00510875,"threshold_uncertainty_score":0.4286393,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01106159045618946,"score_gpt":0.2509713975376183,"score_spread":0.2399098070814288,"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."}}