{"id":"W2127394656","doi":"10.1074/jbc.m414471200","title":"Structural Rationale for the Affinity of Pico- and Femtomolar Transition State Analogues of Escherichia coli 5′-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase","year":2005,"lang":"en","type":"article","venue":"Journal of Biological Chemistry","topic":"Biochemical and Molecular Research","field":"Biochemistry, Genetics and Molecular Biology","cited_by":74,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto; Hospital for Sick Children","funders":"National Institutes of Health; Canadian Institutes of Health Research; Hospital for Sick Children; U.S. Department of Veterans Affairs; U.S. Department of Agriculture","keywords":"Chemistry; Transition state analog; Stereochemistry; Purine nucleoside phosphorylase; Transition (genetics); Ligand (biochemistry); Crystallography; Enzyme; Purine; Active site; Biochemistry; Receptor","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":[0.0003614987,0.000128341,0.0002569951,0.00001637468,0.00005657948,0.00001176002,0.0002198448,0.0001899031,0.00003080696],"category_scores_gemma":[0.0003034623,0.00007839204,0.0001846862,0.00007452217,0.0003163313,0.000006846407,0.00006116366,0.0001920602,1.418699e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001036143,"about_ca_system_score_gemma":0.00006383177,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00000358985,"about_ca_topic_score_gemma":0.000001376817,"domain_scores_codex":[0.999006,0.00005659338,0.0004482641,0.0001577327,0.0001721668,0.0001592056],"domain_scores_gemma":[0.9990336,0.0000946345,0.0003097908,0.0001350988,0.0003342348,0.00009259756],"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":[0.0006498714,0.0000778079,0.0001957396,0.00009502671,0.0001003397,0.000001652954,0.00004364755,0.00005634145,0.9971027,0.000008838728,0.0001804191,0.001487661],"study_design_scores_gemma":[0.0009076954,0.0004900621,0.001986251,0.0000224644,0.00003436161,0.00004041446,0.0000814227,0.0001382351,0.9944895,0.0001350635,0.001581772,0.00009276786],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9932624,0.004675811,0.0009687087,0.0007935037,0.00001712163,0.0001498131,0.0001068351,0.000002062359,0.00002382142],"genre_scores_gemma":[0.9972117,0.0006525235,0.001691991,0.0001114031,0.000224742,0.000004904159,0.00005969935,0.0000074984,0.00003556384],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004023287,"threshold_uncertainty_score":0.3196735,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.024014637582892,"score_gpt":0.2736664388425456,"score_spread":0.2496518012596536,"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."}}