5V5Z
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![BU of 5v5z by Molmil](/molmil-images/mine/5v5z) | Structure of CYP51 from the pathogen Candida albicans | Descriptor: | 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 | Authors: | Keniya, M.V, Sabherwal, M, Wilson, R.K, Sagatova, A.A, Tyndall, J.D.A, Monk, B.C. | Deposit date: | 2017-03-15 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structures of Full-Length Lanosterol 14 alpha-Demethylases of Prominent Fungal Pathogens Candida albicans and Candida glabrata Provide Tools for Antifungal Discovery. Antimicrob.Agents Chemother., 62, 2018
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5UVB
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5UYS
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![BU of 5uys by Molmil](/molmil-images/mine/5uys) | Human steroidogenic cytochrome P450 17A1 with 3alphaOH-5alpha-abiraterone analog | Descriptor: | (3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | Authors: | Scott, E.E, Petrunak, E.M. | Deposit date: | 2017-02-24 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.392 Å) | Cite: | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site. J.Biol.Chem., 299, 2023
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5UL0
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![BU of 5ul0 by Molmil](/molmil-images/mine/5ul0) | S. CEREVISIAE CYP51 COMPLEXED WITH VT-1161 | Descriptor: | (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, ... | Authors: | Tyndall, J.D, Keniya, M.V, Sabherwal, M, Monk, B.C. | Deposit date: | 2017-01-23 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Azole Resistance Reduces Susceptibility to the Tetrazole Antifungal VT-1161. Antimicrob.Agents Chemother., 63, 2019
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5TFT
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![BU of 5tft by Molmil](/molmil-images/mine/5tft) | Structure of cytochrome P450 2D6 (CYP2D6) BACE1 inhibitor complex | Descriptor: | (4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Hsu, M.H, Johnson, E.F. | Deposit date: | 2016-09-26 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality. J. Med. Chem., 60, 2017
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5VC0
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![BU of 5vc0 by Molmil](/molmil-images/mine/5vc0) | Crystal structure of human CYP3A4 bound to ritonavir | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, RITONAVIR | Authors: | Sevrioukova, I. | Deposit date: | 2017-03-30 | Release date: | 2017-05-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | High-Level Production and Properties of the Cysteine-Depleted Cytochrome P450 3A4. Biochemistry, 56, 2017
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5VCE
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5VEU
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![BU of 5veu by Molmil](/molmil-images/mine/5veu) | Human Cytochrome P450 3A5 (CYP3A5) | Descriptor: | Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE, RITONAVIR | Authors: | Hsu, M.-H, Johnson, E.F. | Deposit date: | 2017-04-05 | Release date: | 2017-11-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | The X-Ray Crystal Structure of the Human Mono-Oxygenase Cytochrome P450 3A5-Ritonavir Complex Reveals Active Site Differences between P450s 3A4 and 3A5. Mol. Pharmacol., 93, 2018
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1N97
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![BU of 1n97 by Molmil](/molmil-images/mine/1n97) | Crystal Structure of CYP175A1 from Thermus thermophillus strain HB27 | Descriptor: | 1,2-ETHANEDIOL, CYP175A1, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Yano, J.K, Blasco, F, Li, H, Schmid, R.D, Henne, A, Poulos, T.L. | Deposit date: | 2002-11-22 | Release date: | 2003-02-25 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Preliminary Characterization and Crystal Structure of a Thermostable Cytochrome P450 from Thermus thermophilus J.Biol.Chem., 278, 2003
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8GLZ
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![BU of 8glz by Molmil](/molmil-images/mine/8glz) | Crystal structure of T252E-CYP199A4 in complex with 4-hydroxybenzoic acid. Crystal was initially co-crystallised with 4-methoxybenzoic acid and soaked with 4 mM hydrogen peroxide | Descriptor: | CHLORIDE ION, Cytochrome P450, P-HYDROXYBENZOIC ACID, ... | Authors: | Lee, J.H.Z, Bruning, J.B, Bell, S.G. | Deposit date: | 2023-03-23 | Release date: | 2023-12-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | An In Crystallo Reaction with an Engineered Cytochrome P450 Peroxygenase. Chemistry, 30, 2024
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8GM2
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8GLY
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![BU of 8gly by Molmil](/molmil-images/mine/8gly) | Crystal structure of T252E-CYP199A4 in complex with 4-hydroxybenzoic acid | Descriptor: | CHLORIDE ION, Cytochrome P450, P-HYDROXYBENZOIC ACID, ... | Authors: | Lee, J.H.Z, Bruning, J.B, Bell, S.G. | Deposit date: | 2023-03-23 | Release date: | 2024-02-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | An In Crystallo Reaction with an Engineered Cytochrome P450 Peroxygenase. Chemistry, 30, 2024
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8GM1
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![BU of 8gm1 by Molmil](/molmil-images/mine/8gm1) | Crystal structure of T252E-CYP199A4 in complex with 4-methoxybenzoic acid soaked with 1 mM hydrogen peroxide | Descriptor: | 4-METHOXYBENZOIC ACID, CHLORIDE ION, Cytochrome P450, ... | Authors: | Lee, J.H.Z, Bruning, J.B, Bell, S.G. | Deposit date: | 2023-03-24 | Release date: | 2024-02-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | An In Crystallo Reaction with an Engineered Cytochrome P450 Peroxygenase. Chemistry, 30, 2024
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1OG5
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![BU of 1og5 by Molmil](/molmil-images/mine/1og5) | Structure of human cytochrome P450 CYP2C9 | Descriptor: | CYTOCHROME P450 2C9, HEME C, S-WARFARIN | Authors: | Williams, P.A, Cosme, J, Ward, A, Angove, H.C, Matak Vinkovic, D, Jhoti, H. | Deposit date: | 2003-04-24 | Release date: | 2003-07-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal Structure of Human Cytochrome P450 2C9 with Bound Warfarin Nature, 424, 2003
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1P0V
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![BU of 1p0v by Molmil](/molmil-images/mine/1p0v) | F393A mutant heme domain of flavocytochrome P450 BM3 | Descriptor: | Bifunctional P-450:NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ost, T.W.B, Clark, J, Miles, C.S, Walkinshaw, M.D, Reid, G.A, Chapman, S.K, Daff, S, Mowat, C.G. | Deposit date: | 2003-04-11 | Release date: | 2003-12-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Oxygen Activation and Electron Transfer in Flavocytochrome P450 BM3 J.Am.Chem.Soc., 125, 2003
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1P0W
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![BU of 1p0w by Molmil](/molmil-images/mine/1p0w) | F393W mutant heme domain of flavocytochrome P450 BM3 | Descriptor: | Bifunctional P-450:NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ost, T.W.B, Clark, J, Miles, C.S, Walkinshaw, M.D, Reid, G.A, Chapman, S.K, Daff, S, Mowat, C.G. | Deposit date: | 2003-04-11 | Release date: | 2003-12-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Oxygen Activation and Electron Transfer in Flavocytochrome P450 BM3 J.Am.Chem.Soc., 125, 2003
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8HNZ
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![BU of 8hnz by Molmil](/molmil-images/mine/8hnz) | Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 6FCWP | Descriptor: | (3~{S},8~{a}~{S})-3-[(5-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, Cytochrome P450-F5053, ... | Authors: | Ma, B.D, Tian, W, Qu, X, Kong, X.D. | Deposit date: | 2022-12-09 | Release date: | 2023-04-19 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines. Angew.Chem.Int.Ed.Engl., 62, 2023
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8HO0
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![BU of 8ho0 by Molmil](/molmil-images/mine/8ho0) | Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 8FCWP | Descriptor: | (3~{S},8~{a}~{S})-3-[(7-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, Cytochrome P450-F5053, ... | Authors: | Ma, B.D, Tian, W, Qu, X, Kong, X.D. | Deposit date: | 2022-12-09 | Release date: | 2023-04-19 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines. Angew.Chem.Int.Ed.Engl., 62, 2023
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8HO1
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![BU of 8ho1 by Molmil](/molmil-images/mine/8ho1) | Crystal structure of cytochrome P450 NasF5053 mutant F387G | Descriptor: | CALCIUM ION, Cytochrome P450-F5053, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ma, B.D, Tian, W, Qu, X, Kong, X.D. | Deposit date: | 2022-12-09 | Release date: | 2023-04-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines. Angew.Chem.Int.Ed.Engl., 62, 2023
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8HKJ
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![BU of 8hkj by Molmil](/molmil-images/mine/8hkj) | Crystal structure of the CYP102A5 haem Domain isolated from Bacillus cereus | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, PALMITIC ACID, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Stanfield, J.K, Onoda, H, Sugimoto, H, Shoji, O. | Deposit date: | 2022-11-27 | Release date: | 2023-04-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Investigating the applicability of the CYP102A1-decoy-molecule system to other members of the CYP102A subfamily. J.Inorg.Biochem., 245, 2023
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8HNY
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![BU of 8hny by Molmil](/molmil-images/mine/8hny) | Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 5FCWP | Descriptor: | (3~{S},8~{a}~{S})-3-[(4-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, Cytochrome P450-F5053, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ma, B.D, Tian, W, Qu, X, Kong, X.D. | Deposit date: | 2022-12-09 | Release date: | 2023-04-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines. Angew.Chem.Int.Ed.Engl., 62, 2023
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1PHD
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1PHG
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1PHC
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8HGC
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![BU of 8hgc by Molmil](/molmil-images/mine/8hgc) | |