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7R3U	Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor Descriptor: 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Snee, M, Katariya, M, Leys, D, Levy, C. Deposit date: 2022-02-07 Release date: 2023-02-22 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
7R1I	Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor Descriptor: CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... Authors: Snee, M, Katariya, M, Levy, C, Leys, D. Deposit date: 2022-02-03 Release date: 2023-02-15 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.24 Å) Cite: Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
7TTP	P450 (OxyA) from kistamicin biosynthesis, mixed heme conformation Descriptor: GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 hydroxylase Authors: Greule, A, Izore, T, Cryle, M.J. Deposit date: 2022-02-01 Release date: 2022-05-11 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.8 Å) Cite: The Cytochrome P450 OxyA from the Kistamicin Biosynthesis Cyclization Cascade is Highly Sensitive to Oxidative Damage. Front Chem, 10, 2022
7TTA	P450 (OxyA) from kistamicin biosynthesis, mixed heme conformation, attenuated beam Descriptor: GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 hydroxylase Authors: Greule, A, Izore, T, Cryle, M.J. Deposit date: 2022-02-01 Release date: 2022-05-11 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.001 Å) Cite: The Cytochrome P450 OxyA from the Kistamicin Biosynthesis Cyclization Cascade is Highly Sensitive to Oxidative Damage. Front Chem, 10, 2022
7TTQ	P450 (OxyA) from kistamicin biosynthesis, imidazole complex Descriptor: GLYCEROL, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Greule, A, Izore, T, Cryle, M.J. Deposit date: 2022-02-01 Release date: 2022-05-11 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.62 Å) Cite: The Cytochrome P450 OxyA from the Kistamicin Biosynthesis Cyclization Cascade is Highly Sensitive to Oxidative Damage. Front Chem, 10, 2022
7TTO	P450 (OxyA) from kistamicin biosynthesis, mixed heme conformation Descriptor: PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 hydroxylase Authors: Greule, A, Izore, T, Cryle, M.J. Deposit date: 2022-02-01 Release date: 2022-05-11 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.6 Å) Cite: The Cytochrome P450 OxyA from the Kistamicin Biosynthesis Cyclization Cascade is Highly Sensitive to Oxidative Damage. Front Chem, 10, 2022
7TTB	P450 (OxyA) from kistamicin biosynthesis, Y99F mutant Descriptor: GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 hydroxylase Authors: Greule, A, Izore, T, Cryle, M.J. Deposit date: 2022-02-01 Release date: 2022-05-11 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.801592 Å) Cite: The Cytochrome P450 OxyA from the Kistamicin Biosynthesis Cyclization Cascade is Highly Sensitive to Oxidative Damage. Front Chem, 10, 2022
7TRU	The crystal structure of WT CYP199A4 bound to 4-(thiophen-2-yl)benzoic acid Descriptor: 4-(thiophen-2-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... Authors: Podgorski, M.N, Bell, S.G. Deposit date: 2022-01-31 Release date: 2023-03-15 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.454 Å) Cite: The Oxidation of Oxygen and Sulfur-Containing Heterocycles by Cytochrome P450 Enzymes. Chemistry, 29, 2023
7TRT	The crystal structure of CYP199A4 bound to 4-(furan-2-yl)benzoic acid Descriptor: 4-(furan-2-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... Authors: Podgorski, M.N, Bell, S.G. Deposit date: 2022-01-30 Release date: 2023-03-15 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.42 Å) Cite: The Oxidation of Oxygen and Sulfur-Containing Heterocycles by Cytochrome P450 Enzymes. Chemistry, 29, 2023
7TQM	The crystal structure of D251N CYP199A4 bound to 4-methylthiobenzoic acid Descriptor: 4-methylsulfanylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... Authors: Podgorski, M, Bell, S.G. Deposit date: 2022-01-26 Release date: 2023-01-04 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.438 Å) Cite: Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions. Chemistry, 28, 2022
7QWN	Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor Descriptor: CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... Authors: Snee, M, Katariya, M, Levy, C, Leys, D. Deposit date: 2022-01-25 Release date: 2023-02-01 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
7TP6	The crystal structure of T252E CYP199A4 bound to 4-methylthiobenzoic acid Descriptor: 4-methylsulfanylbenzoic acid, ACETATE ION, CHLORIDE ION, ... Authors: Podgorski, M, Bell, S.G. Deposit date: 2022-01-25 Release date: 2023-01-04 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.655 Å) Cite: Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions. Chemistry, 28, 2022
7TP5	The crystal structure of T252E CYP199A4 bound to 4-ethylthiobenzoic acid Descriptor: 4-(ethylsulfanyl)benzoic acid, ACETATE ION, CHLORIDE ION, ... Authors: Podgorski, M, Bell, S.G. Deposit date: 2022-01-25 Release date: 2023-01-04 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.655 Å) Cite: Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions. Chemistry, 28, 2022
7TNF	The crystal structure of F298V CYP199A4 bound to 4-phenylbenzoic acid Descriptor: CHLORIDE ION, Cytochrome P450, MAGNESIUM ION, ... Authors: Podgorski, M, Bell, S.G. Deposit date: 2022-01-21 Release date: 2023-01-04 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.539 Å) Cite: Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering. Chemistry, 28, 2022
7TNU	The crystal structure of F298V CYP199A4 bound to 4-cyclohexylbenzoic acid Descriptor: 4-cyclohexylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... Authors: Podgorski, M, Bell, S.G. Deposit date: 2022-01-21 Release date: 2023-01-04 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.584 Å) Cite: Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering. Chemistry, 28, 2022
7TND	The crystal structure of CYP199A4 bound to 4-phenoxybenzoic acid Descriptor: 4-phenoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ... Authors: Podgorski, M, Bell, S.G. Deposit date: 2022-01-20 Release date: 2023-01-04 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.825 Å) Cite: Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering. Chemistry, 28, 2022
7TLO	X-ray crystal structure of substrate free cytochrome P450 CYP142A3 from Mycobacterium Marinum Descriptor: ACETATE ION, Cytochrome P450 142A3, PROTOPORPHYRIN IX CONTAINING FE Authors: Ghith, A, Bruning, J.B, Bell, S.G. Deposit date: 2022-01-18 Release date: 2022-09-14 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.55 Å) Cite: The Structures of the Steroid Binding CYP142 Cytochrome P450 Enzymes from Mycobacterium ulcerans and Mycobacterium marinum. Acs Infect Dis., 8, 2022
7QQ7	Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with an inhibitor at partial occupancy with PEG Descriptor: ACETATE ION, BROMIDE ION, CHLORIDE ION, ... Authors: Snee, M, Levy, C, Kavanagh, M. Deposit date: 2022-01-06 Release date: 2023-01-18 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with an inhibitor at partial occupancy with PEG To Be Published
7TEF	Cytochrome P450 14 alpha-sterol demethylase CYP51 from Mycobacterium marinum Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 51B1 Cyp51B1, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Mohamed, H.A, Bruning, J.B, Bell, S.G. Deposit date: 2022-01-04 Release date: 2022-11-30 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.98 Å) Cite: A comparison of the bacterial CYP51 cytochrome P450 enzymes from Mycobacterium marinum and Mycobacterium tuberculosis. J.Steroid Biochem.Mol.Biol., 221, 2022
7WG0	Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Heme Domain with N-palmitoyl-L-phenylalanine Descriptor: (2~{S})-2-(hexadecanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, MANGANESE PROTOPORPHYRIN IX Authors: Keita, O, Osami, S, Yuichiro, A, Hiroshi, S. Deposit date: 2021-12-27 Release date: 2023-01-11 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Heme Domain with N-palmitoyl-L-phenylalanine To Be Published
7WEX	The crystal structure of substrate-free CYP107X1 from Streptomyces avermitilis Descriptor: Cytochrome P450 hydroxylase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE Authors: Xu, L.-H, Lin, S, Gao, L. Deposit date: 2021-12-24 Release date: 2022-06-29 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.99 Å) Cite: The 16 alpha-Hydroxylation of Progesterone by Cytochrome P450 107X1 from Streptomyces avermitilis. Chem.Biodivers., 19, 2022
7QNN	Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant) Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase, ethyl 1-(cyclopentylmethyl)-5-pyridin-4-yl-indole-2-carboxylate Authors: Snee, M, Tunnicliffe, R, Leys, D, Levy, C, Katariya, M. Deposit date: 2021-12-21 Release date: 2022-12-28 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.47 Å) Cite: Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
7WDH	Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine, phenol and hydroxylamine Descriptor: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... Authors: Jiang, Y, Dong, S, Feng, Y, Cong, Z. Deposit date: 2021-12-21 Release date: 2022-12-28 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.68 Å) Cite: Engineering Cytochrome P450BM3 Enzymes for Direct Nitration of Unsaturated Hydrocarbons. Angew.Chem.Int.Ed.Engl., 62, 2023
7WDI	Crystal structure of the P450 BM3 heme domain mutant F87K in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine Descriptor: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... Authors: Jiang, Y, Dong, S, Feng, Y, Cong, Z. Deposit date: 2021-12-21 Release date: 2022-12-28 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine To Be Published
7WDG	Crystal structure of the P450 BM3 heme domain mutant F87L in complex with N-imidazolyl-hexanoyl-L-phenylalanine, phenol and hydroxylamine Descriptor: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... Authors: Jiang, Y, Dong, S, Feng, Y, Cong, Z. Deposit date: 2021-12-21 Release date: 2022-12-28 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.07 Å) Cite: Engineering Cytochrome P450BM3 Enzymes for Direct Nitration of Unsaturated Hydrocarbons. Angew.Chem.Int.Ed.Engl., 62, 2023

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