{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003386434,0.0003387554,0.000313068,0.00008639784,0.0003318995,0.0005338055,0.0008294319,0.000488304,0.001766829],"category_scores_gemma":[0.0004357759,0.0002507386,0.0002498125,0.0001325513,0.0004673525,0.0003077645,0.0002731718,0.001307831,0.0004438008],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007701787,"about_ca_system_score_gemma":0.0003667781,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001210495,"about_ca_topic_score_gemma":0.00123131,"domain_scores_codex":[0.9997475,0.00006033052,0.00002224483,0.00005737398,0.00006516805,0.00004734078],"domain_scores_gemma":[0.9998042,0.00006584301,0.00002869813,0.00001923272,0.0000393835,0.00004274402],"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":[0.0003306306,0.00013447,0.0002706017,0.00006089587,0.000006809722,0.00005560099,0.00002720075,0.0009401473,0.9950593,0.001275568,0.0001370592,0.001701894],"study_design_scores_gemma":[0.00004010147,0.0004442479,0.0006799225,0.00000501272,0.0000125601,0.0001383051,0.00003393884,0.003958977,0.9922381,0.0001848454,0.002250192,0.00001378697],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9832911,0.001453184,0.009637511,0.0006662352,0.00009660157,0.000115721,0.0003754025,0.0001608072,0.004203453],"genre_scores_gemma":[0.9929903,0.0005167216,0.005061118,0.0001554312,0.000005565249,0.00006397569,0.0002993841,0.00001893319,0.0008885165],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001766829,"threshold_uncertainty_score":0.005910635,"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."}}