{"id":"W1967558431","doi":"10.1021/ja065697o","title":"Analysis of PUGNAc and NAG-thiazoline as Transition State Analogues for Human <i>O</i>-GlcNAcase:  Mechanistic and Structural Insights into Inhibitor Selectivity and Transition State Poise","year":2006,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Carbohydrate Chemistry and Synthesis","field":"Chemistry","cited_by":163,"is_retracted":false,"has_abstract":true,"ca_institutions":"Simon Fraser University","funders":"Natural Sciences and Engineering Research Council of Canada; Directorate for Biological Sciences; Michael Smith Health Research BC; Western Canada Research Grid","keywords":"Chemistry; Thiazoline; Serine; Threonine; Transition state; Stereochemistry; Crystallography; Enzyme; Catalysis; Biochemistry","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":[0.0001852439,0.0002136691,0.0006405012,0.00004283657,0.0001765536,0.00004209876,0.0001025438,0.00008153755,0.000008895095],"category_scores_gemma":[0.00004276768,0.0001621358,0.0004078209,0.0003718233,0.0005073072,0.0001250649,0.00003081583,0.0002720288,1.728944e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00009960228,"about_ca_system_score_gemma":0.00003721841,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004049205,"about_ca_topic_score_gemma":0.00004908997,"domain_scores_codex":[0.998754,0.00003886456,0.0005096893,0.0002471666,0.0002633268,0.0001869336],"domain_scores_gemma":[0.9987388,0.000213534,0.0006307742,0.0001309014,0.000171001,0.0001150312],"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":[0.000236261,0.00005825136,0.0002566804,0.0001978388,0.0005876191,0.000002603798,0.001675646,0.0001167951,0.9960277,0.000008123556,0.00003171363,0.0008007859],"study_design_scores_gemma":[0.0006926227,0.00007447485,0.0008812781,0.0000570505,0.001346073,0.00004162321,0.0006182548,0.00556665,0.9841886,0.006316742,0.00001906212,0.0001976414],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9985632,0.0002593371,0.0005962084,0.0003573798,0.00001154681,0.00006219957,0.0001268155,0.00001068489,0.00001259182],"genre_scores_gemma":[0.9990577,0.0001684878,0.0004897224,0.00009877743,0.0001161406,0.000003594778,0.00003770601,0.00001599557,0.00001191684],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01183915,"threshold_uncertainty_score":0.6611705,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004858582992835282,"score_gpt":0.229402538112602,"score_spread":0.2245439551197667,"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."}}