IntAct European Bioinformatics Institute IntAct intact http://www.ebi.ac.uk/ http://www.ebi.ac.uk/intact/query/${ac} EBI-[0-9]+|IA:[0-9]+ INTerAction database (IntAct) provides an open source database and toolkit for the storage, presentation and analysis of molecular interactions. http://www.ebi.ac.uk/intact European Bioinformatics Institute; Wellcome Trust Genome Campus; Hinxton, Cambridge; CB10 1SD; United Kingdom http://www.ebi.ac.uk/intact/ http://www.ebi.ac.uk/ sevrioukova-2017-2 in vitro In vitro uv-vis ultraviolet-visible spectroscopy uv-vis predetermined predetermined participant predetermined Sevrioukova IF., Poulos TL. sevrioui@uci.edu Proceedings of the National Academy of Sciences of the United States of America 2017 Only protein-protein interactions imex curation imex curation sevrioukova-2017-1 in vitro In vitro x-ray diffraction x-ray crystallography X-ray X-ray x-ray diffraction predetermined predetermined participant predetermined Sevrioukova IF., Poulos TL. sevrioui@uci.edu Proceedings of the National Academy of Sciences of the United States of America 2017 Only protein-protein interactions imex curation imex curation cp3a4_human Cytochrome P450 3A4 Albendazole monooxygenase (sulfoxide-forming) CYP3A4 CYP3A3 Albendazole sulfoxidase CYPIIIA3 CYPIIIA4 Cytochrome P450 3A3 Cytochrome P450 HLp Cytochrome P450 NF-25 Cytochrome P450-PCN1 Nifedipine oxidase Quinine 3-monooxygenase 1,8-cineole 2-exo-monooxygenase Cholesterol 25-hydroxylase 1,4-cineole 2-exo-monooxygenase protein protein human Homo sapiens Human MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA heme b Heme b small molecule small molecule chemical synthesis Chemical synthesis (Chemical synthesis) midazolam midazolam Buccolam Dormicum mezolam midazolam midazolamum 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine small molecule small molecule chemical synthesis Chemical synthesis (Chemical synthesis) cyp3a4-midazolam-2 3581892 N/A 3581894 unspecified role unspecified role neutral component neutral component purified purified P08684:p.Ser119Ala mutation decreasing strength mutation decreasing interaction strength mutation decreasing strength certain certain sequence position certain certain certain sequence position certain false At 0.6 Mol phosphate concentration, Kd changes to 6.2x10^-6 ~0.60 molar ecoli Escherichia coli (strain K12) 3581892 N/A 3581895 cofactor cofactor coenzyme neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) N/A 3581896 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false 3581892 Fig. 2 cyp3a4-heme b-1 3581892 N/A 3581894 unspecified role unspecified role neutral component neutral component purified purified P08684:p.Ser119Ala mutation decreasing strength mutation decreasing interaction strength mutation decreasing strength certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3581895 cofactor cofactor coenzyme neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) N/A 3581896 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false 3581892 Fig. 2 cyp3a4-midazolam-1 3581893 N/A 3581896 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) Stoichiometry: 3.0 N/A 3581894 unspecified role unspecified role neutral component neutral component purified purified region sufficient to bind sufficient binding region sufficient to bind certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) Stoichiometry: 3.0 N/A 3581895 cofactor cofactor coenzyme neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) Stoichiometry: 3.0 direct interaction direct interaction false false false Table S1 2.7Å Rwork: 0.224 Rfree: 0.292