7QJL
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![BU of 7qjl by Molmil](/molmil-images/mine/7qjl) | Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with an inhibitor | 分子名称: | ACETATE ION, BROMIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Snee, M, Levy, C, Katariya, M. | 登録日 | 2021-12-16 | 公開日 | 2022-12-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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6DWM
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![BU of 6dwm by Molmil](/molmil-images/mine/6dwm) | Structure of Human Cytochrome P450 1A1 with Bergamottin | 分子名称: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one, Cytochrome P450 1A1, ... | 著者 | Bart, A.G, Scott, E.E. | 登録日 | 2018-06-26 | 公開日 | 2018-10-03 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Structures of human cytochrome P450 1A1 with bergamottin and erlotinib reveal active-site modifications for binding of diverse ligands. J. Biol. Chem., 293, 2018
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7QKE
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![BU of 7qke by Molmil](/molmil-images/mine/7qke) | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant) | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase, ethyl 1-(cyclohexylmethyl)-5-pyridin-4-yl-indole-2-carboxylate | 著者 | Snee, M, Tunnicliffe, R, Leys, D, Levy, C, Katariya, M. | 登録日 | 2021-12-17 | 公開日 | 2022-12-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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7QNN
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![BU of 7qnn by Molmil](/molmil-images/mine/7qnn) | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant) | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase, ethyl 1-(cyclopentylmethyl)-5-pyridin-4-yl-indole-2-carboxylate | 著者 | Snee, M, Tunnicliffe, R, Leys, D, Levy, C, Katariya, M. | 登録日 | 2021-12-21 | 公開日 | 2022-12-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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4ZFA
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![BU of 4zfa by Molmil](/molmil-images/mine/4zfa) | Cytochrome P450 wild type from BM3 with bound PEG | 分子名称: | 1,2-ETHANEDIOL, Bifunctional P-450/NADPH-P450 reductase, NICKEL (II) ION, ... | 著者 | Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T. | 登録日 | 2015-04-21 | 公開日 | 2016-07-13 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.765 Å) | 主引用文献 | Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants. Biochemistry, 55, 2016
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4ZGX
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![BU of 4zgx by Molmil](/molmil-images/mine/4zgx) | Structure of aldosterone synthase (CYP11B2) in complex with (+)-(R)-N-(4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl)propionamide | 分子名称: | Cytochrome P450 11B2, mitochondrial, N-[(8R)-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide, ... | 著者 | Kuglstatter, A, Joseph, C. | 登録日 | 2015-04-24 | 公開日 | 2015-10-07 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Discovery of 4-Aryl-5,6,7,8-tetrahydroisoquinolines as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors: In Vivo Evaluation in Rodents and Cynomolgus Monkeys. J.Med.Chem., 58, 2015
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7QQ7
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8D39
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![BU of 8d39 by Molmil](/molmil-images/mine/8d39) | |
4ZF6
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![BU of 4zf6 by Molmil](/molmil-images/mine/4zf6) | Cytochrome P450 pentamutant from BM3 with bound PEG | 分子名称: | 1,2-ETHANEDIOL, Bifunctional P-450/NADPH-P450 reductase, NICKEL (II) ION, ... | 著者 | Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T. | 登録日 | 2015-04-21 | 公開日 | 2016-07-13 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.773 Å) | 主引用文献 | Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants. Biochemistry, 55, 2016
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7QWN
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![BU of 7qwn by Molmil](/molmil-images/mine/7qwn) | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | 分子名称: | CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | 著者 | Snee, M, Katariya, M, Levy, C, Leys, D. | 登録日 | 2022-01-25 | 公開日 | 2023-02-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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4Z5P
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![BU of 4z5p by Molmil](/molmil-images/mine/4z5p) | Crystal structure of the LnmA cytochrome P450 hydroxylase from the leinamycin biosynthetic pathway of Streptomyces atroolivaceus S-140 at 1.9 A resolution | 分子名称: | Cytochrome P450 hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, TRIETHYLENE GLYCOL | 著者 | Ma, M, Lohman, J, Rudolf, J, Miller, M.D, Cao, H, Osipiuk, J, Babnigg, G, Phillips Jr, G.N, Joachimiak, A, Shen, B, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | 登録日 | 2015-04-02 | 公開日 | 2015-07-29 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of the LnmA cytochrome P450 hydroxylase from the leinamycin biosynthetic pathway of Streptomyces atroolivaceus S-140 To be Published
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1O76
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![BU of 1o76 by Molmil](/molmil-images/mine/1o76) | CYANIDE COMPLEX OF P450CAM FROM PSEUDOMONAS PUTIDA | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYANIDE ION, ... | 著者 | Fedorov, R, Ghosh, D, Schlichting, I. | 登録日 | 2002-10-23 | 公開日 | 2002-12-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal Structures of Cyanide Complexes of P450Cam and the Oxygenase Domain of Inducible Nitric Oxide Synthase-Structural Models of the Short-Lived Oxygen Complexes Arch.Biochem.Biophys., 409, 2003
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4ZDY
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![BU of 4zdy by Molmil](/molmil-images/mine/4zdy) | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140F mutant complexed with itraconazole | 分子名称: | 2-[(2R)-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, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Sagatova, A, Keniya, M.V, Wilson, R.K, Tyndall, J.D.A, Monk, B.C. | 登録日 | 2015-04-20 | 公開日 | 2016-03-30 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase. Sci Rep, 6, 2016
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8D1C
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![BU of 8d1c by Molmil](/molmil-images/mine/8d1c) | Crystal structure of T252E-CYP199A4 in complex with 4-(Trifluoromethoxy)benzoic acid | 分子名称: | 4-(trifluoromethoxy)benzoic acid, CHLORIDE ION, Cytochrome P450, ... | 著者 | Lee, J.H.Z, Bruning, J.B, Bell, S.G. | 登録日 | 2022-05-27 | 公開日 | 2023-03-01 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Selective Oxidations Using a Cytochrome P450 Enzyme Variant Driven with Surrogate Oxygen Donors and Light. Chemistry, 28, 2022
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8D8P
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1P2Y
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![BU of 1p2y by Molmil](/molmil-images/mine/1p2y) | CRYSTAL STRUCTURE OF CYTOCHROME P450CAM IN COMPLEX WITH (S)-(-)-NICOTINE | 分子名称: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Cytochrome P450-cam, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Strickler, M, Goldstein, B.M, Maxfield, K, Shireman, L, Kim, G, Matteson, D, Jones, J.P. | 登録日 | 2003-04-16 | 公開日 | 2003-10-28 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystallographic Studies on the Complex Behavior of Nicotine Binding to P450cam (CYP101)(dagger). Biochemistry, 42, 2003
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6E8Q
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![BU of 6e8q by Molmil](/molmil-images/mine/6e8q) | S. CEREVISIAE CYP51 COMPLEXED WITH Posaconazole | 分子名称: | DODECYL-BETA-D-MALTOSIDE, Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, ... | 著者 | Tyndall, J.D, Keniya, M.V, Sabherwal, M, Monk, B.C. | 登録日 | 2018-07-30 | 公開日 | 2018-09-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Azole Resistance Reduces Susceptibility to the Tetrazole Antifungal VT-1161. Antimicrob. Agents Chemother., 63, 2019
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1P0X
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![BU of 1p0x by Molmil](/molmil-images/mine/1p0x) | F393Y mutant heme domain of flavocytochrome P450 BM3 | 分子名称: | Bifunctional P-450:NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Ost, T.W.B, Clark, J, Miles, C.S, Walkinshaw, M.D, Reid, G.A, Chapman, S.K, Daff, S, Mowat, C.G. | 登録日 | 2003-04-11 | 公開日 | 2003-12-09 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Oxygen Activation and Electron Transfer in Flavocytochrome P450 BM3 J.Am.Chem.Soc., 125, 2003
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1P7R
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![BU of 1p7r by Molmil](/molmil-images/mine/1p7r) | CRYSTAL STRUCTURE OF REDUCED, CO-EXPOSED COMPLEX OF CYTOCHROME P450CAM WITH (S)-(-)-NICOTINE | 分子名称: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Cytochrome P450-cam, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Strickler, M, Goldstein, B.M, Maxfield, K, Shireman, L, Kim, G, Matteson, D, Jones, J.P. | 登録日 | 2003-05-05 | 公開日 | 2003-10-28 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Crystallographic Studies on the Complex Behavior of Nicotine Binding to P450cam (CYP101)(dagger). Biochemistry, 42, 2003
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4ZE3
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![BU of 4ze3 by Molmil](/molmil-images/mine/4ze3) | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140H mutant complexed with fluconazole | 分子名称: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Sagatova, A, Keniya, M.V, Wilson, R, Monk, B.C, Tyndall, J.D.A. | 登録日 | 2015-04-20 | 公開日 | 2016-03-30 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase. Sci Rep, 6, 2016
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7RL2
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![BU of 7rl2 by Molmil](/molmil-images/mine/7rl2) | |
5A5J
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![BU of 5a5j by Molmil](/molmil-images/mine/5a5j) | Cytochrome 2C9 P450 inhibitor complex | 分子名称: | CYTOCHROME P450 2C9, N-[4-(3-chloranyl-4-cyano-phenoxy)-3,5-dimethoxy-phenyl]-1,1,1-tris(fluoranyl)methanesulfonamide, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Skerratt, S.E, de Groot, M.J, Phillips, C. | 登録日 | 2015-06-18 | 公開日 | 2016-08-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of a Novel Binding Pocket for Cyp 2C9 Inhibitors: Crystallography, Pharmacophore Modelling and Inhibitor Sar. To be Published
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6CHI
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![BU of 6chi by Molmil](/molmil-images/mine/6chi) | Human Cytochrome P450 17A1 in complex with inhibitor: abiraterone C6 amide | 分子名称: | 3-hydroxy-17-(3-pyridyl)-androst-5,16-dien-6-amide, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | 著者 | Scott, E.E. | 登録日 | 2018-02-22 | 公開日 | 2018-06-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.698 Å) | 主引用文献 | Structure-Based Design of Inhibitors with Improved Selectivity for Steroidogenic Cytochrome P450 17A1 over Cytochrome P450 21A2. J. Med. Chem., 61, 2018
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4YT3
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![BU of 4yt3 by Molmil](/molmil-images/mine/4yt3) | CYP106A2 | 分子名称: | ACETATE ION, Cytochrome P450(MEG), PROTOPORPHYRIN IX CONTAINING FE | 著者 | janocha, S, carius, y, bernhardt, r, lancaster, c.r.d. | 登録日 | 2015-03-17 | 公開日 | 2016-02-24 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal Structure of CYP106A2 in Substrate-Free and Substrate-Bound Form. Chembiochem, 17, 2016
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6CR2
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![BU of 6cr2 by Molmil](/molmil-images/mine/6cr2) | Crystal structure of sterol 14-alpha demethylase (CYP51B) from Aspergillus fumigatus in complex with the VNI derivative N-(1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-(2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl)-1,3,4-oxadiazol-2-yl)benzamide | 分子名称: | 14-alpha sterol demethylase Cyp51B, N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl}benzamide, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Friggeri, L, Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. | 登録日 | 2018-03-16 | 公開日 | 2018-06-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Sterol 14 alpha-Demethylase Structure-Based Design of VNI (( R)- N-(1-(2,4-Dichlorophenyl)-2-(1 H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide)) Derivatives To Target Fungal Infections: Synthesis, Biological Evaluation, and Crystallographic Analysis. J. Med. Chem., 61, 2018
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