{"id":"W4310943225","doi":"10.1021/jacs.2c04039","title":"An Activity-Based Oxaziridine Platform for Identifying and Developing Covalent Ligands for Functional Allosteric Methionine Sites: Redox-Dependent Inhibition of Cyclin-Dependent Kinase 4","year":2022,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Click Chemistry and Applications","field":"Chemistry","cited_by":38,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Natural Sciences and Engineering Research Council of Canada; Fonds De La Recherche Scientifique - FNRS; National Institute of General Medical Sciences; Canadian Institute for Advanced Research; University of California Berkeley; Novartis Institutes for BioMedical Research; Damon Runyon Cancer Research Foundation; National Institute of Environmental Health Sciences; American Cancer Society; National Institutes of Health; National Science Foundation","keywords":"Chemistry; Allosteric regulation; Biochemistry; Methionine; Affinity label; Cysteine; Enzyme; Amino acid","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000538003,0.0001697233,0.0003670284,0.00002135244,0.00038051,0.00003163737,0.000262621,0.00005883709,0.00004236213],"category_scores_gemma":[0.0001140863,0.0001451464,0.0004752144,0.0001960192,0.0001753625,0.0001139846,0.0001630782,0.0004142983,7.37453e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000405808,"about_ca_system_score_gemma":0.0001773864,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000007342801,"about_ca_topic_score_gemma":7.13727e-7,"domain_scores_codex":[0.9985378,0.0000113372,0.000525773,0.0002488933,0.0004665822,0.0002095674],"domain_scores_gemma":[0.9978065,0.0004258942,0.001232882,0.0002274604,0.0002051327,0.0001020888],"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":[0.0005185455,0.0002954303,0.0002899667,0.0002310834,0.0001246191,5.494039e-7,0.0001561172,0.0004256454,0.9965073,0.00001781265,0.0005605172,0.0008724201],"study_design_scores_gemma":[0.00154376,0.0001049118,0.0001389121,0.00005938137,0.0001571649,0.00005032629,0.001096677,0.001775724,0.9939682,0.0004427819,0.0004945337,0.0001676401],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9863709,0.00005453771,0.01133143,0.001790184,0.00005018361,0.0001540261,0.000225915,0.00001498243,0.000007862099],"genre_scores_gemma":[0.993705,0.00002641143,0.005362412,0.0003902349,0.0002576751,0.000108788,0.00007593023,0.00002469831,0.00004885125],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007334124,"threshold_uncertainty_score":0.5918899,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.05013740361543237,"score_gpt":0.3172874471006252,"score_spread":0.2671500434851929,"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."}}