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/ jeffreys-2019-1 in vitro In vitro uv-vis ultraviolet-visible spectroscopy uv-vis predetermined predetermined participant predetermined Jeffreys LN., Poddar H., Golovanova M., Levy CW., Girvan HM., McLean KJ., Voice MW., Leys D., Munro AW. andrew.munro@manchester.ac.uk Scientific reports 2019 Only protein-protein interactions imex curation imex curation jeffreys-2019-2 in vitro In vitro epr electron paramagnetic resonance ESR EPR EPR ESR epr predetermined predetermined participant predetermined Jeffreys LN., Poddar H., Golovanova M., Levy CW., Girvan HM., McLean KJ., Voice MW., Leys D., Munro AW. andrew.munro@manchester.ac.uk Scientific reports 2019 Only protein-protein interactions imex curation imex curation jeffreys-2019-3 in vitro In vitro x-ray diffraction x-ray crystallography X-ray X-ray x-ray diffraction predetermined predetermined participant predetermined Jeffreys LN., Poddar H., Golovanova M., Levy CW., Girvan HM., McLean KJ., Voice MW., Leys D., Munro AW. andrew.munro@manchester.ac.uk Scientific reports 2019 Only protein-protein interactions imex curation imex curation fluconazole fluconazole 2,4-difluoro-alpha,alpha-bis(1H-1,2,4-triazol-1-ylmethyl)benzyl alcohol 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL Biozole Diflucan Elazor fluconazol fluconazole fluconazolum Triflucan 2-(2,4-difluorophenyl)-1,3-bis-(1H-1,2,4-triazol-1-yl)propan-2-ol small molecule small molecule chemical synthesis Chemical synthesis (Chemical synthesis) itraconazole itraconazole Itraconazole Itrizole (TN) Oriconazole Sporanox (TN) 2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one small molecule small molecule chemical synthesis Chemical synthesis (Chemical synthesis) sulconazole nitrate Sulconazole nitrate Sulconazole nitrate small molecule small molecule chemical synthesis Chemical synthesis (Chemical synthesis) tioconazole tioconazole (+-)-tioconazole (+-)-1-(2,4-Dichloro-beta-((2-chloro-3-ethenyl)oxy)phenethyl)imidazole (RS)-tioconazole 1-(2,4-Dichloro-(beta-(2-chloro-3-thenyl)oxy)phenethyl)imidazole rac-tioconazole racemic tioconazole tioconazol tioconazole tioconazolum UK 20349 UK-20,349 Vagistat-1 rac-1-{2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole small molecule small molecule chemical synthesis Chemical synthesis (Chemical synthesis) miconazole miconazole (+-)-miconazole (RS)-miconazole 1-(2,4-Dichloro-beta-((2,4-dichlorobenzyl)oxy)phenethyl)imidazole 1-[2-(2,4-Dichloro-benzyloxy)-2-(2,4-dichloro-phenyl)-ethyl]-1H-imidazole Daktarin IV Miconazole Monistat IV (TN) rac-miconazole rac-1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole small molecule small molecule chemical synthesis Chemical synthesis (Chemical synthesis) sertaconazole nitrate sertaconazole nitrate (+-)-sertaconazole nitrate (RS)-sertaconazole nitrate Ertaczo rac-sertaconazole nitrate racemic sertaconazole nitrate sertaconazole mononitrate Zalain rac-1-{2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole nitrate small molecule small molecule chemical synthesis Chemical synthesis (Chemical synthesis) isoconazole nitrate isoconazole nitrate (+-)-isoconazole nitrate (RS)-isoconazole nitrate 1-(2,4-Dichloro-beta-(2,6-dichlorobenzyloxy)phenethyl)imidazole nitrate 1-(2-((2,6-Dichlorobenzyl)oxy)-2-(2,4-dichlorophenyl)ethyl)imidazole nitrate isoconazole mononitrate rac-isoconazole nitrate racemic isoconazole nitrate rac-1-{2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole nitrate small molecule small molecule chemical synthesis Chemical synthesis (Chemical synthesis) ketoconazole ketoconazole Fungarest Fungoral ketoconazol ketoconazole ketoconazolum Ketoderm Ketoisdin Nizoral Panfungol Xolegel rac-1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine (+-)-cis-1-acetyl-4-(p-((2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine cis-1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine small molecule small molecule chemical synthesis Chemical synthesis (Chemical synthesis) heme b Heme b small molecule small molecule chemical synthesis Chemical synthesis (Chemical synthesis) f2q7t0_bacme Bifunctional cytochrome P450/NADPH--P450 reductase protein protein bacme Bacillus megaterium MTIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTRYLSSQRLIKEACDESRFDKNLSQALKFVRDFAGDGLFTSWTHEKNWKKAHNILLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTLDTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRANPDDPAYDENKRQFQEDIKVMNDLVDKIIADRKASGEQSDDLLTHMLNGKDPETGEPLDDENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVDPVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKGDELMVLIPQLHRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRACIGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKSKKIPLGGIPSPSTEQSAKKVRKKVENAHNTPLLVLYGSNMGTAEGTARDLADIAMSKGFAPQVATLDSHAGNLPREGAVLIVTASYNGHPPDNAKQFVDWLDQASADDVKGVRYSVFGCGDKNWATTYQKVPAFIDETLAAKGAENIADRGEADASDDFEGTYEEWREHMWSDVAAYFNLDIENSEDNKSTLSLQFVDSAADMPLAKMHGAFSANVVASKELQQLGSERSTRHLEIALPKEASYQEGDHLGVIPRNYEGIVNRVTARFGLDASQQIRLEAEEEKLAHLPLGKTVSVEELLQYVELQDPVTRTQLRAMAAKTVCPPHKVELEALLEKQAYKEQVLAKRLTMLELLEKYPACEMEFSEFIALLPSISPRYYSISSSPHVDEKQASITVSVVSGEAWSGYGEYKGIASNYLANLQEGDTITCFVSTPQSGFTLPKDSETPLIMVGPGTGVAPFRGFVQARKQLKEQGQSLGEAHLYFGCRSPHEDYLYQEELENAQNEGIITLHTAFSRVPNQPKTYVQHVMERDGKKLIELLDQGAHFYICGDGSQMAPDVEATLMKSYADVYEVSEADARLWLQQLEEKGRYAKDVWAG voriconazole voriconazole (alphaR,betaS)-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol (R-(R*,S*))-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol VCZ Vfend voriconazol voriconazole voriconazolum (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol small molecule small molecule chemical synthesis Chemical synthesis (Chemical synthesis) a0a1q8up87_bacme Bifunctional cytochrome P450/NADPH--P450 reductase BTA37_15100 protein protein bacme Bacillus megaterium MTIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTRYLSSQRLIKEACDESRFDKNLSQALKFVRDFAGDGLFTSWTHEKNWKKAHNILLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTLDTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRANPDDPAYDENKRQFQEDIKVMNDLVDKIIADRKASGEQSDDLLTHMLNGKDPETGEPLDDENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVDPVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKGDELMVLIPQLHRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRACIGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKSKKIPLGGIPSPSTEQSAKKERKKAENAHNTPLLVLYGSNMGTAEGTARDLADIAMSKGFAPQVATLDSHAGNLPREGAVLIVTASYNGHPPDNAKQFIDWLDQASADEVKGVRYSVFGCGDKNWATTYQKVPAFIDETLAAKGAENIADRGEADASDDFEGTYEEWREHMWSDVAAYFNLDIENSEDNKSTLSLQFVDSASDMPLAKMHGAFSANVVASKELQQPGSERSTRHLEIELPKEASYQEGDHLGVIPRNYEGIVNRVTARFGLDASQQIRLEAEEEKLAHLPLGKTVSVEELLQYVELQDPVTRTQLRAMAAKTVCPPHTVELEALLEKQAYKEEVLAKRLTMLELLEKYPACEMEFREFIALLPSIRPRYYSISSSPRVDEKQASITVSVVSGEAWSGYGEYKGIASNYLAELQEGDTITCFISTPQSGFTLPKDPETPLIMVGPGTGVAPFRGFVQARKQLKEQGQSLGEAHLYFGCRSPHEDYLYQEELENAQNEGIITLHTAFSRMPNQPKTYVQHVMEQDGKKLIELLDQGAHFYICGDGSQMAPDVEATLMKSYADVHQVSEADARLWLQQLEEKGRYAKDVWAG posaconazole posaconazole Noxafil posaconazole Sch 56592 SCH56592 Schering 56592 2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({4-[4-(4-{1-[(2S,3S)-2-hydroxypentan-3-yl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenoxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol small molecule small molecule chemical synthesis Chemical synthesis (Chemical synthesis) ravuconazole Ravuconazole small molecule small molecule chemical synthesis Chemical synthesis (Chemical synthesis) econazole nitrate econazole nitrate (+-)-econazole nitrate (RS)-econazole nitrate 1-(2,4-Dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)imidazole nitrate Econazole mononitrate rac-econazole nitrate Spectazole 1-{2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole nitrate small molecule small molecule chemical synthesis Chemical synthesis (Chemical synthesis) fenticonazole nitrate fenticonazole nitrate (+-)-1-(2,4-Dichloro-beta-((p-(phenylthio)benzyl)oxy)phenethyl)imidazole mononitrate alpha-(2,4-Dichlorophenyl)-beta,N-imidazolylethyl-4-phenylthiobenzyl ether nitrate fenticonazole mononitrate Lomexin rac-1-[2-(2,4-dichlorophenyl)-2-{[4-(phenylsulfanyl)benzyl]oxy}ethyl]-1H-imidazole nitrate small molecule small molecule chemical synthesis Chemical synthesis (Chemical synthesis) climbazole climbazole rac-1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one (RS)-1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one 1-(p-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethyl -2-butanone climbazol climbazole Climbazolum small molecule small molecule chemical synthesis Chemical synthesis (Chemical synthesis) clotrimazole clotrimazole 1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole 1-(alpha-(2-Chlorophenyl)benzhydryl)imidazole 1-(o-Chloro-alpha,alpha-diphenylbenzyl)imidazole 1-(o-Chlorotrityl)imidazole Clotrimazole Lotrimin (TN) Mycelex (TN) 1-[(2-chlorophenyl)(diphenyl)methyl]-1H-imidazole small molecule small molecule chemical synthesis Chemical synthesis (Chemical synthesis) bifonazole bifonazole (+-)-bifonazole (+-)-1-(p,alpha-Diphenylbenzyl)imidazole (+-)1-([1,1'-Biphenyl]-4-ylphenylmethyl)-1H-imidazole (RS)-bifonazole 1-((4-Biphenylyl)phenylmethyl)-1H-imidazole 1-(alpha-(4-Biphenylyl)benzyl)imidazole bifonazol bifonazole bifonazolum Mycospor rac-bifonazole racemic bifonazole rac-1-[biphenyl-4-yl(phenyl)methyl]-1H-imidazole small molecule small molecule chemical synthesis Chemical synthesis (Chemical synthesis) butoconazole nitrate butoconazole nitrate (+-)-1-(4-(4-chlorophenyl)-2-((2,6-dichlorophenyl)thio)butyl)-1H-imidazole mononitrate (+-)-1-(4-(p-chlorophenyl)-2-((2,6-dichlorophenyl)thio)butyl)imidazole mononitrate Butoconazole nitrate nitrato de butoconazol 1-{4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl}-1H-imidazole nitrate small molecule small molecule chemical synthesis Chemical synthesis (Chemical synthesis) cpxb_bacmb Bifunctional cytochrome P450/NADPH--P450 reductase cyp102A1 Cytochrome P450(BM-3) cyp102 Cytochrome P450BM-3 Fatty acid monooxygenase Flavocytochrome P450 BM3 BG04_163 protein protein bacmb bacmb MTIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTRYLSSQRLIKEACDESRFDKNLSQALKFVRDFAGDGLFTSWTHEKNWKKAHNILLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTLDTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRANPDDPAYDENKRQFQEDIKVMNDLVDKIIADRKASGEQSDDLLTHMLNGKDPETGEPLDDENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVDPVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKGDELMVLIPQLHRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRACIGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKSKKIPLGGIPSPSTEQSAKKVRKKAENAHNTPLLVLYGSNMGTAEGTARDLADIAMSKGFAPQVATLDSHAGNLPREGAVLIVTASYNGHPPDNAKQFVDWLDQASADEVKGVRYSVFGCGDKNWATTYQKVPAFIDETLAAKGAENIADRGEADASDDFEGTYEEWREHMWSDVAAYFNLDIENSEDNKSTLSLQFVDSAADMPLAKMHGAFSTNVVASKELQQPGSARSTRHLEIELPKEASYQEGDHLGVIPRNYEGIVNRVTARFGLDASQQIRLEAEEEKLAHLPLAKTVSVEELLQYVELQDPVTRTQLRAMAAKTVCPPHKVELEALLEKQAYKEQVLAKRLTMLELLEKYPACEMKFSEFIALLPSIRPRYYSISSSPRVDEKQASITVSVVSGEAWSGYGEYKGIASNYLAELQEGDTITCFISTPQSEFTLPKDPETPLIMVGPGTGVAPFRGFVQARKQLKEQGQSLGEAHLYFGCRSPHEDYLYQEELENAQSEGIITLHTAFSRMPNQPKTYVQHVMEQDGKKLIELLDQGAHFYICGDGSQMAPAVEATLMKSYADVHQVSEADARLWLQQLEEKGRYAKDVWAG mint bifonazole-cyp102a1-1 3577478 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation increasing strength mutation increasing interaction strength mutation increasing strength certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577482 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false 3577478 Table 1, Figure 1, S1 butoconazole nitrate-cyp102a1-1 3577478 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation increasing strength mutation increasing interaction strength mutation increasing strength certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577483 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false 3577478 Table 1, Figure 1, S1 climbazole-cyp102a1-1 3577478 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation increasing strength mutation increasing interaction strength mutation increasing strength certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577484 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false 3577478 Table 1, Figure 1 clotrimazole-cyp102a1-1 3577478 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation increasing strength mutation increasing interaction strength mutation increasing strength certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577485 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false 3577478 Table 1, Figure 1 cyp102a1-econazole nitrate-1 3577478 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation increasing strength mutation increasing interaction strength mutation increasing strength certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577486 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false 3577478 Table 1, Figure 1, S1 cyp102a1-fenticonazole nitrate-1 3577478 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation increasing strength mutation increasing interaction strength mutation increasing strength certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577487 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false 3577478 Table 1, Figure 1 cyp102a1-isoconazole nitrate-1 3577478 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation increasing strength mutation increasing interaction strength mutation increasing strength certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577488 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false 3577478 Table 1, Figure 1 cyp102a1-ketoconazole-1 3577478 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation increasing strength mutation increasing interaction strength mutation increasing strength certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577489 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false 3577478 Table 1, Figure 1 cyp102a1-miconazole-1 3577478 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation increasing strength mutation increasing interaction strength mutation increasing strength certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577490 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false 3577478 Table 1, Figure 1 cyp102a1-sertaconazole nitrate-1 3577478 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation increasing strength mutation increasing interaction strength mutation increasing strength certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577491 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false 3577478 Table 1, Figure 1 cyp102a1-sulconazole nitrate-1 3577478 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation increasing strength mutation increasing interaction strength mutation increasing strength certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577492 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false 3577478 Table 1, Figure 1 cyp102a1-tioconazole-1 3577478 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation increasing strength mutation increasing interaction strength mutation increasing strength certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577493 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false 3577478 Table 1, Figure 1 cyp102a1-fluconazole-1 3577478 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation causing mutation causing an interaction mutation enabling interaction mutation causing mutation causing an interaction certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577494 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false Table 1, Figure 1 cyp102a1-itraconazole-1 3577478 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation causing mutation causing an interaction mutation enabling interaction mutation causing mutation causing an interaction certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577495 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false Table 1, Figure 1 cyp102a1-posaconazole-1 3577478 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation causing mutation causing an interaction mutation enabling interaction mutation causing mutation causing an interaction certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577496 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false Table 1, Figure 1 cyp102a1-ravuconazole-1 3577478 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation causing mutation causing an interaction mutation enabling interaction mutation causing mutation causing an interaction certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577497 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false Table 1, Figure 1 cyp102a1-voriconazole-1 3577478 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation causing mutation causing an interaction mutation enabling interaction mutation causing mutation causing an interaction certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577498 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false Table 1, Figure 1 bifonazole-cyp102a1-2 3577479 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation with no effect mutation with no effect mutation with no effect mutation not affecting interaction certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577482 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false Figure 3, Table S2, S3 butoconazole nitrate-cyp102a1-2 3577479 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation with no effect mutation with no effect mutation with no effect mutation not affecting interaction certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577483 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false Table S2, S3 cyp102a1-fluconazole-2 3577479 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation with no effect mutation with no effect mutation with no effect mutation not affecting interaction certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577494 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false Figure 3, Table S2, S3 cyp102a1-sertaconazole nitrate-2 3577479 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation with no effect mutation with no effect mutation with no effect mutation not affecting interaction certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577491 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false Figure 3, Table S2, S3 climbazole-cyp102a1-2 3577479 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation with no effect mutation with no effect mutation with no effect mutation not affecting interaction certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577484 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false Table S2, S3 clotrimazole-cyp102a1-2 3577479 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation with no effect mutation with no effect mutation with no effect mutation not affecting interaction certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577485 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false Table S2, S3 cyp102a1-econazole nitrate-2 3577479 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation with no effect mutation with no effect mutation with no effect mutation not affecting interaction certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577486 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false Table S2, S3 cyp102a1-fenticonazole nitrate-2 3577479 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation with no effect mutation with no effect mutation with no effect mutation not affecting interaction certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577487 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false Table S2, S3 cyp102a1-isoconazole nitrate-2 3577479 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation with no effect mutation with no effect mutation with no effect mutation not affecting interaction certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577488 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false Table S2, S3 cyp102a1-ketoconazole-2 3577479 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation with no effect mutation with no effect mutation with no effect mutation not affecting interaction certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577489 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false Table S2, S3 cyp102a1-itraconazole-2 3577479 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation with no effect mutation with no effect mutation with no effect mutation not affecting interaction certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577495 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false Table S2, S3 cyp102a1-miconazole-2 3577479 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation with no effect mutation with no effect mutation with no effect mutation not affecting interaction certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577490 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false Table S2, S3 cyp102a1-posaconazole-2 3577479 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation with no effect mutation with no effect mutation with no effect mutation not affecting interaction certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577496 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false Table S2, S3 cyp102a1-ravuconazole-2 3577479 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation with no effect mutation with no effect mutation with no effect mutation not affecting interaction certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577497 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false Table S2, S3 cyp102a1-sulconazole nitrate-2 3577479 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation with no effect mutation with no effect mutation with no effect mutation not affecting interaction certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577492 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false Table S2, S3 cyp102a1-tioconazole-2 3577479 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation with no effect mutation with no effect mutation with no effect mutation not affecting interaction certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577493 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false Table S2, S3 cyp102a1-voriconazole-2 3577479 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified P14779:p.[Ala83Phe;Phe88Val] mutation with no effect mutation with no effect mutation with no effect mutation not affecting interaction certain certain sequence position certain certain certain sequence position certain false certain certain sequence position certain certain certain sequence position certain false ecoli Escherichia coli (strain K12) N/A 3577498 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false Table S2, S3 a0a1q8up87_bacme-clotrimazole-1 3577480 N/A 3577485 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) Stoichiometry: 4.0 N/A 3577499 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: 1.0 N/A 3577500 cofactor cofactor coenzyme neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) Stoichiometry: 4.0 direct interaction direct interaction false false false Table S1 Rwork/Rfree: 0.170/0.213 Resolution (Å): 2.08 cyp102a1-fluconazole-3 3577480 N/A 3577481 cofactor cofactor coenzyme 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) N/A 3577494 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) N/A 3577500 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false Table S1 Rwork/Rfree: 0.162/0.200 Resolution (Å): 1.95 f2q7t0_bacme-heme b-1 3577480 N/A 3577493 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) N/A 3577501 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) N/A 3577500 cofactor cofactor coenzyme neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false Table S1 Rwork/Rfree: 0.189/0.215 Resolution (Å): 1.97 cyp102a1-heme b-1 3577480 N/A 3577481 unspecified role unspecified role neutral component neutral component purified purified ecoli Escherichia coli (strain K12) N/A 3577498 unspecified role unspecified role neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) N/A 3577500 cofactor cofactor coenzyme neutral component neutral component purified purified chemical synthesis Chemical synthesis (Chemical synthesis) direct interaction direct interaction false false false Table S1 Rwork/Rfree: 0.159/0.199 Resolution (Å): 1.73 MINT MINT, Dpt of Biology, University of Rome Tor Vergata MINT http://mint.bio.uniroma2.it/mint url>http://mint.bio.uniroma2.it/mint/ https://mint.bio.uniroma2.it MINT-[0-9]+ https://mint.bio.uniroma2.it/index.php/results-interactions/?id=${ac} The Molecular INTeraction database (MINT) is a relational database designed to store interactions between biological molecules. http://mint.bio.uniroma2.it http://mint.bio.uniroma2.it/mint joyce-2012-1 The crystal structure of the FAD/NADPH-binding domain of flavocytochrome P450 BM3. in vitro In vitro molecular sieving molecular sieving Gel Filtration Size Exclusion Chromatography Size Exclusion Chromatography Gel Filtration Sizing column predetermined predetermined participant predetermined Joyce MG., Ekanem IS., Roitel O., Dunford AJ., Neeli R., Girvan HM., Baker GJ., Curtis RA., Munro AW., Leys D. FEBS J. (1742-464X) 2012 Only protein-protein interactions imex curation gordonjo-2012-1 The crystal structure of the FAD/NADPH-binding domain of flavocytochrome P450 BM3. in vitro In vitro x-ray diffraction x-ray crystallography X-ray X-ray x-ray diffraction predetermined predetermined participant predetermined Joyce MG., Ekanem IS., Roitel O., Dunford AJ., Neeli R., Girvan HM., Baker GJ., Curtis RA., Munro AW., Leys D. FEBS J. (1742-464X) 2012 Only protein-protein interactions imex curation cpxb_bacmb Bifunctional cytochrome P450/NADPH--P450 reductase cyp102A1 Cytochrome P450(BM-3) cyp102 Cytochrome P450BM-3 Fatty acid monooxygenase Flavocytochrome P450 BM3 BG04_163 protein protein bacmb bacmb MTIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTRYLSSQRLIKEACDESRFDKNLSQALKFVRDFAGDGLFTSWTHEKNWKKAHNILLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTLDTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRANPDDPAYDENKRQFQEDIKVMNDLVDKIIADRKASGEQSDDLLTHMLNGKDPETGEPLDDENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVDPVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKGDELMVLIPQLHRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRACIGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKSKKIPLGGIPSPSTEQSAKKVRKKAENAHNTPLLVLYGSNMGTAEGTARDLADIAMSKGFAPQVATLDSHAGNLPREGAVLIVTASYNGHPPDNAKQFVDWLDQASADEVKGVRYSVFGCGDKNWATTYQKVPAFIDETLAAKGAENIADRGEADASDDFEGTYEEWREHMWSDVAAYFNLDIENSEDNKSTLSLQFVDSAADMPLAKMHGAFSTNVVASKELQQPGSARSTRHLEIELPKEASYQEGDHLGVIPRNYEGIVNRVTARFGLDASQQIRLEAEEEKLAHLPLAKTVSVEELLQYVELQDPVTRTQLRAMAAKTVCPPHKVELEALLEKQAYKEQVLAKRLTMLELLEKYPACEMKFSEFIALLPSIRPRYYSISSSPRVDEKQASITVSVVSGEAWSGYGEYKGIASNYLAELQEGDTITCFISTPQSEFTLPKDPETPLIMVGPGTGVAPFRGFVQARKQLKEQGQSLGEAHLYFGCRSPHEDYLYQEELENAQSEGIITLHTAFSRMPNQPKTYVQHVMEQDGKKLIELLDQGAHFYICGDGSQMAPAVEATLMKSYADVHQVSEADARLWLQQLEEKGRYAKDVWAG mint cyp102a1 1270146 cpxb_bacme P450 BM-3 1270148 predetermined predetermined participant predetermined unspecified role unspecified role neutral component neutral component purified purified P14779:p.Cys1000Ala mutation disrupting interaction mutation disrupting mutation disrupting interaction mutation disrupting mutation analysis mutation analysis certain certain sequence position certain certain certain sequence position certain false P14779:p.Cys774Ala mutation disrupting interaction mutation disrupting mutation disrupting interaction mutation disrupting mutation analysis mutation analysis certain certain sequence position certain certain certain sequence position certain false binding site binding region binding-associated region binding region certain certain sequence position certain certain certain sequence position certain false Stoichiometry: 2.0 direct interaction direct interaction false false false f1 mint cyp102a1-1 1270147 cpxb_bacme P450 BM-3 1270148 predetermined predetermined participant predetermined unspecified role unspecified role neutral component neutral component purified purified binding site binding region binding-associated region binding region certain certain sequence position certain certain certain sequence position certain false Stoichiometry: 2.0 direct interaction direct interaction false false false f2 t1 mint