{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001349727,0.0002762577,0.0001820266,0.00009317045,0.0001366571,0.0001865512,0.0003906562,0.000215634,0.001606797],"category_scores_gemma":[0.0002839743,0.000146229,0.0002524685,0.0001613958,0.0001344395,0.0001651108,0.00007618801,0.0004390487,0.0003233517],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005037772,"about_ca_system_score_gemma":0.0001888255,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003311887,"about_ca_topic_score_gemma":0.002476446,"domain_scores_codex":[0.9999158,0.000009365551,0.000004204181,0.00001723499,0.00003483802,0.00001860559],"domain_scores_gemma":[0.9999076,0.00002442912,0.00002911978,0.000005214968,0.00001885692,0.00001478976],"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":[0.0005410014,0.00009260917,0.001221254,0.0001442345,0.00002563339,0.0001519776,0.00005994673,0.006033339,0.9855151,0.0008948804,0.0002241271,0.005095907],"study_design_scores_gemma":[0.00003928427,0.0004571225,0.005501121,0.0000101727,0.00002481402,0.000371141,0.00003020584,0.01793803,0.972937,0.0001117427,0.00256045,0.00001885599],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.991819,0.001740513,0.002937661,0.00007734288,0.0000141422,0.00002117591,0.0006223028,0.00006203407,0.002705728],"genre_scores_gemma":[0.9957142,0.0007504588,0.001587027,0.0000111136,0.000003033235,0.00001248469,0.0008239297,0.00001014576,0.001087413],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003311887,"threshold_uncertainty_score":0.006585181,"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."}}