{"id":"W4382196143","doi":"10.1016/j.mcpro.2023.100609","title":"Structural Premise of Selective Deubiquitinase USP30 Inhibition by Small-Molecule Benzosulfonamides","year":2023,"lang":"en","type":"article","venue":"Molecular & Cellular Proteomics","topic":"Ubiquitin and proteasome pathways","field":"Biochemistry, Genetics and Molecular Biology","cited_by":39,"is_retracted":false,"has_abstract":true,"ca_institutions":"Discovery Centre","funders":"Chinese Academy of Medical Sciences Initiative for Innovative Medicine; Engineering and Physical Sciences Research Council; Alzheimer’s Research UK; Chinese Academy of Medical Sciences; Bristol-Myers Squibb","keywords":"Deubiquitinating enzyme; Chemistry; Small molecule; Hydrogen–deuterium exchange; Biochemistry; Docking (animal); Enzyme; Ubiquitin; Computational biology; Biophysics; Stereochemistry; Cell biology; Mass spectrometry; Biology; Gene","routes":{"ca_aff":true,"ca_fund":false,"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":[0.0001020258,0.000243964,0.0001873712,0.00005706426,0.000155011,0.0001546361,0.0003726824,0.0002266521,0.001301062],"category_scores_gemma":[0.0001115493,0.0001332715,0.0001697793,0.00005212934,0.0002224221,0.000151001,0.0001464129,0.000323055,0.0002504204],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003632196,"about_ca_system_score_gemma":0.0002689673,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001037008,"about_ca_topic_score_gemma":0.001129996,"domain_scores_codex":[0.9999446,0.000007752024,0.000003168336,0.00001240463,0.0000200972,0.0000119637],"domain_scores_gemma":[0.9999542,0.000006785176,0.00001620446,0.000005445339,0.000006315686,0.00001098062],"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":[0.0004028425,0.0000788445,0.0003900438,0.0001041339,0.00001585167,0.0001799634,0.00002237575,0.003019874,0.9913254,0.001566544,0.0002004618,0.002693777],"study_design_scores_gemma":[0.0001139976,0.001132466,0.002101938,0.00001110687,0.00003231909,0.0002845487,0.00003572399,0.01828548,0.9722725,0.0004453529,0.005265941,0.00001851465],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9887891,0.001025654,0.004901762,0.0002137129,0.00002881786,0.0000613287,0.000395521,0.0001054928,0.004478544],"genre_scores_gemma":[0.9968174,0.0006780095,0.001413471,0.00005468299,0.000005051351,0.00002057902,0.0002342164,0.000006870676,0.0007697038],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001301062,"threshold_uncertainty_score":0.00435245,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01079725312473713,"score_gpt":0.2210714942966726,"score_spread":0.2102742411719355,"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."}}