7SMZ
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![BU of 7smz by Molmil](/molmil-images/mine/7smz) | X-ray crystal structure of CYP142A3 from Mycobacterium Marinum in complex with 4-cholesten-3-one | 分子名称: | (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, ACETATE ION, Cytochrome P450 142A3, ... | 著者 | Ghith, A, Bruning, J.B, Bell, S.G. | 登録日 | 2021-10-27 | 公開日 | 2022-09-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | The Structures of the Steroid Binding CYP142 Cytochrome P450 Enzymes from Mycobacterium ulcerans and Mycobacterium marinum. Acs Infect Dis., 8, 2022
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7SH5
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![BU of 7sh5 by Molmil](/molmil-images/mine/7sh5) | Crystal structure of CYP142A3 from Mycobacterium ulcerans bound to Cholest-4-en-3-one | 分子名称: | (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, ACETATE ION, Cytochrome P450 142A3, ... | 著者 | Doherty, D.Z, Bell, S.G, Bruning, J. | 登録日 | 2021-10-08 | 公開日 | 2022-10-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | The Structures of the Steroid Binding CYP142 Cytochrome P450 Enzymes from Mycobacterium ulcerans and Mycobacterium marinum. Acs Infect Dis., 8, 2022
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7S3T
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![BU of 7s3t by Molmil](/molmil-images/mine/7s3t) | NzeB Diketopiperazine Dimerase Mutant: Q68I-G87A-A89G-I90V | 分子名称: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | 著者 | Harris, N.R, Shende, V.V, Sanders, J.N, Newmister, S.A, Khatri, Y, Movassaghi, M, Houk, K.N, Sherman, D.H. | 登録日 | 2021-09-08 | 公開日 | 2022-10-05 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Molecular Dynamics Simulations Guide Chimeragenesis and Engineered Control of Chemoselectivity in Diketopiperazine Dimerases. Angew.Chem.Int.Ed.Engl., 2023
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2IJ7
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![BU of 2ij7 by Molmil](/molmil-images/mine/2ij7) | Structure of Mycobacterium tuberculosis CYP121 in complex with the antifungal drug fluconazole | 分子名称: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Roujeinikova, A, Leys, D. | 登録日 | 2006-09-29 | 公開日 | 2006-11-07 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of the Mycobacterium tuberculosis P450 CYP121-fluconazole complex reveals new azole drug-P450 binding mode. J.Biol.Chem., 281, 2006
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2IJ2
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![BU of 2ij2 by Molmil](/molmil-images/mine/2ij2) | Atomic structure of the heme domain of flavocytochrome P450-BM3 | 分子名称: | Cytochrome P450 BM3, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Helen, H.S, Leys, D. | 登録日 | 2006-09-29 | 公開日 | 2006-11-07 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Structural and spectroscopic characterization of P450 BM3 mutants with unprecedented P450 heme iron ligand sets. New heme ligation states influence conformational equilibria in P450 BM3. J.Biol.Chem., 282, 2007
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2HPD
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![BU of 2hpd by Molmil](/molmil-images/mine/2hpd) | CRYSTAL STRUCTURE OF HEMOPROTEIN DOMAIN OF P450BM-3, A PROTOTYPE FOR MICROSOMAL P450'S | 分子名称: | CYTOCHROME P450 BM-3, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Ravichandran, K.G, Boddupalli, S.S, Hasemann, C.A, Peterson, J.A, Deisenhofer, J. | 登録日 | 1993-09-16 | 公開日 | 1993-10-31 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of hemoprotein domain of P450BM-3, a prototype for microsomal P450's. Science, 261, 1993
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2IJ4
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![BU of 2ij4 by Molmil](/molmil-images/mine/2ij4) | Structure of the A264K mutant of cytochrome P450 BM3 | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 | 著者 | Toogood, H.S, Leys, D. | 登録日 | 2006-09-29 | 公開日 | 2006-11-07 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural and spectroscopic characterization of P450 BM3 mutants with unprecedented P450 heme iron ligand sets. New heme ligation states influence conformational equilibria in P450 BM3. J.Biol.Chem., 282, 2007
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2JJN
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![BU of 2jjn by Molmil](/molmil-images/mine/2jjn) | Structure of closed cytochrome P450 EryK | 分子名称: | CYTOCHROME P450 113A1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | 著者 | Savino, C, Sciara, G, Miele, A.E, Kendrew, S.G, Vallone, B. | 登録日 | 2008-04-15 | 公開日 | 2009-07-14 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Investigating the Structural Plasticity of a Cytochrome P450: Three-Dimensional Structures of P450 Eryk and Binding to its Physiological Substrate. J.Biol.Chem., 284, 2009
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2JJO
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![BU of 2jjo by Molmil](/molmil-images/mine/2jjo) | Structure of cytochrome P450 EryK in complex with its natural substrate erD | 分子名称: | CYTOCHROME P450 113A1, Erythromycin D, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Savino, C, Sciara, G, Miele, A.E, Kendrew, S.G, Vallone, B. | 登録日 | 2008-04-15 | 公開日 | 2009-07-14 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Investigating the Structural Plasticity of a Cytochrome P450: Three-Dimensional Structures of P450 Eryk and Binding to its Physiological Substrate. J.Biol.Chem., 284, 2009
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6XZ9
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![BU of 6xz9 by Molmil](/molmil-images/mine/6xz9) | Structure of aldosterone synthase (CYP11B2) in complex with 5-chloro-3,3-dimethyl-2-[5-[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]oxy-3-pyridyl]isoindolin-1-one | 分子名称: | 5-chloranyl-3,3-dimethyl-2-[5-[1-(1-methylpyrazol-4-yl)carbonylazetidin-3-yl]oxypyridin-3-yl]isoindol-1-one, Cytochrome P450 11B2, mitochondrial, ... | 著者 | Kuglstatter, A, Joseph, C, Benz, J. | 登録日 | 2020-02-03 | 公開日 | 2020-06-24 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | 主引用文献 | Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors. J.Med.Chem., 63, 2020
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7SV2
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![BU of 7sv2 by Molmil](/molmil-images/mine/7sv2) | Human Cytochrome P450 (CYP) 3A5 ternary complex with azamulin | 分子名称: | (3aS,4R,5S,6R,8R,9R,9aR,10R)-6-ethyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate, Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Hsu, M, Johnson, E.F. | 登録日 | 2021-11-18 | 公開日 | 2022-05-18 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | Structural characterization of the homotropic cooperative binding of azamulin to human cytochrome P450 3A5. J.Biol.Chem., 298, 2022
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7TEF
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![BU of 7tef by Molmil](/molmil-images/mine/7tef) | Cytochrome P450 14 alpha-sterol demethylase CYP51 from Mycobacterium marinum | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 51B1 Cyp51B1, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Mohamed, H.A, Bruning, J.B, Bell, S.G. | 登録日 | 2022-01-04 | 公開日 | 2022-11-30 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | A comparison of the bacterial CYP51 cytochrome P450 enzymes from Mycobacterium marinum and Mycobacterium tuberculosis. J.Steroid Biochem.Mol.Biol., 221, 2022
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6YCH
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![BU of 6ych by Molmil](/molmil-images/mine/6ych) | Crystal structure of GcoA T296A bound to guaiacol | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Aromatic O-demethylase, cytochrome P450 subunit, ... | 著者 | Mallinson, S.J.B, Hinchen, D.J, Ellis, E.S, DuBois, J.L, Beckham, G.T, McGeehan, J.E. | 登録日 | 2020-03-18 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes. Jacs Au, 1, 2021
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6YCL
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![BU of 6ycl by Molmil](/molmil-images/mine/6ycl) | Crystal structure of GcoA T296G bound to p-vanillin | 分子名称: | 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, cytochrome P450 subunit, ... | 著者 | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | 登録日 | 2020-03-18 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes. Jacs Au, 1, 2021
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6YCK
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![BU of 6yck by Molmil](/molmil-images/mine/6yck) | Crystal structure of GcoA T296A bound to p-vanillin | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, ... | 著者 | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | 登録日 | 2020-03-18 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes. Jacs Au, 1, 2021
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6YCO
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![BU of 6yco by Molmil](/molmil-images/mine/6yco) | Crystal structure of GcoA F169S bound to o-vanillin | 分子名称: | 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ... | 著者 | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | 登録日 | 2020-03-18 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes. Jacs Au, 1, 2021
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6YCJ
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![BU of 6ycj by Molmil](/molmil-images/mine/6ycj) | Crystal structure of GcoA T296S bound to guaiacol | 分子名称: | Aromatic O-demethylase, cytochrome P450 subunit, Guaiacol, ... | 著者 | Mallinson, S.J.B, Hinchen, D.J, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | 登録日 | 2020-03-18 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes. Jacs Au, 1, 2021
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6YCP
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![BU of 6ycp by Molmil](/molmil-images/mine/6ycp) | Crystal structure of GcoA F169V bound to o-vanillin | 分子名称: | 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ... | 著者 | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | 登録日 | 2020-03-18 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes. Jacs Au, 1, 2021
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6YCT
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![BU of 6yct by Molmil](/molmil-images/mine/6yct) | Crystal structure of GcoA F169A_T296S bound to p-vanillin | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxy-3-methoxybenzaldehyde, Cytochrome P450, ... | 著者 | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | 登録日 | 2020-03-19 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes. Jacs Au, 1, 2021
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6YCN
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![BU of 6ycn by Molmil](/molmil-images/mine/6ycn) | Crystal structure of GcoA F169A bound to o-vanillin | 分子名称: | 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ... | 著者 | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | 登録日 | 2020-03-18 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes. Jacs Au, 1, 2021
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6YCM
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![BU of 6ycm by Molmil](/molmil-images/mine/6ycm) | Crystal structure of GcoA T296S bound to p-vanillin | 分子名称: | 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, cytochrome P450 subunit, ... | 著者 | Mallinson, S.J.B, Hinchen, D.J, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | 登録日 | 2020-03-18 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes. Jacs Au, 1, 2021
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6YCI
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![BU of 6yci by Molmil](/molmil-images/mine/6yci) | Crystal structure of GcoA T296G bound to guaiacol | 分子名称: | Aromatic O-demethylase, cytochrome P450 subunit, Guaiacol, ... | 著者 | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | 登録日 | 2020-03-18 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes. Jacs Au, 1, 2021
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6XZ8
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![BU of 6xz8 by Molmil](/molmil-images/mine/6xz8) | Structure of aldosterone synthase (CYP11B2) in complex with N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxo-isoindolin-2-yl)-3-pyridyl]ethyl]methanesulfonamide | 分子名称: | Cytochrome P450 11B2, mitochondrial, HEME C, ... | 著者 | Kuglstatter, A, Joseph, C, Benz, J. | 登録日 | 2020-02-03 | 公開日 | 2020-06-24 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors. J.Med.Chem., 63, 2020
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7REH
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![BU of 7reh by Molmil](/molmil-images/mine/7reh) | |
2IJ3
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![BU of 2ij3 by Molmil](/molmil-images/mine/2ij3) | Structure of the A264H mutant of cytochrome P450 BM3 | 分子名称: | Cytochrome P450 BM3, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Toogood, H.S, Leys, D. | 登録日 | 2006-09-29 | 公開日 | 2006-11-07 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural and spectroscopic characterization of P450 BM3 mutants with unprecedented P450 heme iron ligand sets. New heme ligation states influence conformational equilibria in P450 BM3. J.Biol.Chem., 282, 2007
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