4G45
| Structure of cytochrome CYP121 in complex with 2-methylquinolin-6-amine | Descriptor: | 2-methylquinolin-6-amine, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C. | Deposit date: | 2012-07-16 | Release date: | 2012-09-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121 Angew.Chem.Int.Ed.Engl., 51, 2012
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4G46
| Structure of cytochrome P450 CYP121 in complex with 4-oxo-4,5,6,7-tetrahydrobenzofuran-3-carboxylate | Descriptor: | 4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C. | Deposit date: | 2012-07-16 | Release date: | 2012-09-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121 Angew.Chem.Int.Ed.Engl., 51, 2012
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4G48
| Structure of CYP121 in complex with 4-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-diol | Descriptor: | 4-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-diol, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C. | Deposit date: | 2012-07-16 | Release date: | 2012-09-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121 Angew.Chem.Int.Ed.Engl., 51, 2012
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3EKF
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3EKD
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3F03
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3GSI
| Crystal structure of D552A dimethylglycine oxidase mutant of Arthrobacter globiformis in complex with tetrahydrofolate | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | Authors: | Tralau, T, Lafite, P, Levy, C, Combe, J.P, Scrutton, N.S, Leys, D. | Deposit date: | 2009-03-27 | Release date: | 2009-04-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An internal reaction chamber in dimethylglycine oxidase provides efficient protection from exposure to toxic formaldehyde. J.Biol.Chem., 284, 2009
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3GX9
| Structure of morphinone reductase N189A mutant in complex with tetrahydroNAD | Descriptor: | 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN MONONUCLEOTIDE, Morphinone reductase | Authors: | Lafite, P, Scrutton, N.S, Leys, D. | Deposit date: | 2009-04-02 | Release date: | 2009-05-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Parallel Pathways and Free-Energy Landscapes for Enzymatic Hydride Transfer Probed by Hydrostatic Pressure Chembiochem, 10, 2009
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3IA5
| Moritella profunda dihydrofolate reductase (DHFR) | Descriptor: | Dihydrofolate reductase, PHOSPHATE ION | Authors: | Hay, S, Evans, R.M, Levy, C, Wang, X, Loveridge, E.J, Leys, D, Allemann, R.K, Scrutton, N.S. | Deposit date: | 2009-07-13 | Release date: | 2009-07-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Are the Catalytic Properties of Enzymes from Piezophilic Organisms Pressure Adapted? Chembiochem, 10, 2009
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3IVY
| Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP125, p212121 crystal form | Descriptor: | Cytochrome P450 CYP125, PROTOPORPHYRIN IX CONTAINING FE | Authors: | McLean, K.J, Levy, C, Munro, A.W, Leys, D. | Deposit date: | 2009-09-02 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.352 Å) | Cite: | The Structure of Mycobacterium tuberculosis CYP125: molecular basis for cholesterol binding in a P450 needed for host infection. J.Biol.Chem., 284, 2009
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3IW2
| Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP125 in complex with econazole | Descriptor: | 4-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, Cytochrome P450 CYP125, PROTOPORPHYRIN IX CONTAINING FE | Authors: | McLean, K.J, Levy, C, Munro, A.W, Leys, D. | Deposit date: | 2009-09-02 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | The Structure of Mycobacterium tuberculosis CYP125: molecular basis for cholesterol binding in a P450 needed for host infection. J.Biol.Chem., 284, 2009
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3IP8
| Crystal structure of arylmalonate decarboxylase (AMDase) from Bordatella bronchiseptic in complex with benzylphosphonate | Descriptor: | Arylmalonate decarboxylase, benzylphosphonic acid | Authors: | Okrasa, K, Levy, C, Leys, D, Micklefield, J. | Deposit date: | 2009-08-17 | Release date: | 2009-10-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.498 Å) | Cite: | Structure-Guided Directed Evolution of Alkenyl and Arylmalonate Decarboxylases. Angew.Chem.Int.Ed.Engl., 48, 2009
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3IW0
| Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP125, C2221 crystal form | Descriptor: | Cytochrome P450 CYP125, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | McLean, K.J, Levy, C, Munro, A.W, Leys, D. | Deposit date: | 2009-09-02 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Structure of Mycobacterium tuberculosis CYP125: molecular basis for cholesterol binding in a P450 needed for host infection. J.Biol.Chem., 284, 2009
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3IW1
| Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP125 in complex with androstenedione | Descriptor: | 4-ANDROSTENE-3-17-DIONE, Cytochrome P450 CYP125, PROTOPORPHYRIN IX CONTAINING FE | Authors: | McLean, K.J, Levy, C, Munro, A.W, Leys, D. | Deposit date: | 2009-09-02 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Structure of Mycobacterium tuberculosis CYP125: molecular basis for cholesterol binding in a P450 needed for host infection. J.Biol.Chem., 284, 2009
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5L53
| Menthone neomenthol reductase from Mentha piperita in complex with NADP | Descriptor: | (-)-menthone:(+)-neomenthol reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S. | Deposit date: | 2016-05-27 | Release date: | 2016-08-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Pinpointing a Mechanistic Switch Between Ketoreduction and "Ene" Reduction in Short-Chain Dehydrogenases/Reductases. Angew.Chem.Int.Ed.Engl., 55, 2016
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5L4S
| Isopiperitenone reductase from Mentha piperita in complex with NADP and beta-Cyclocitral | Descriptor: | (-)-isopiperitenone reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, beta-cyclocitral | Authors: | Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S. | Deposit date: | 2016-05-26 | Release date: | 2016-08-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Pinpointing a Mechanistic Switch Between Ketoreduction and "Ene" Reduction in Short-Chain Dehydrogenases/Reductases. Angew.Chem.Int.Ed.Engl., 55, 2016
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5L51
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5LIE
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5LI7
| Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with 1-(3-(1H-imidazol-1-yl)propyl)-3-((3s,5s,7s)-adamantan-1-yl)urea | Descriptor: | 1-(1-adamantyl)-3-(3-imidazol-1-ylpropyl)urea, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126 | Authors: | Levy, C, Munro, A.W, Leys, D. | Deposit date: | 2016-07-14 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1. J. Biol. Chem., 292, 2017
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5LDG
| Isopiperitenone reductase from Mentha piperita in complex with Isopiperitenone and NADP | Descriptor: | (-)-Isopiperitenone, (-)-isopiperitenone reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S. | Deposit date: | 2016-06-26 | Release date: | 2016-08-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Pinpointing a Mechanistic Switch Between Ketoreduction and "Ene" Reduction in Short-Chain Dehydrogenases/Reductases. Angew.Chem.Int.Ed.Engl., 55, 2016
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5LCX
| Isopiperitenone reductase from Mentha piperita in complex with NADP | Descriptor: | (-)-isopiperitenone reductase, (4S)-2-METHYL-2,4-PENTANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S. | Deposit date: | 2016-06-22 | Release date: | 2016-08-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.709 Å) | Cite: | Pinpointing a Mechanistic Switch Between Ketoreduction and "Ene" Reduction in Short-Chain Dehydrogenases/Reductases. Angew.Chem.Int.Ed.Engl., 55, 2016
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5LTE
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5LI8
| Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with ketoconazole | Descriptor: | 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126 | Authors: | Levy, C, Munro, A.W, Leys, D. | Deposit date: | 2016-07-14 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1. J. Biol. Chem., 292, 2017
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5M0O
| Crystal structure of cytochrome P450 OleT H85Q in complex with arachidonic acid | Descriptor: | 5,8,11,14,17-EICOSAPENTAENOIC ACID, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | Authors: | Tee, K.L, Munro, A, Matthews, S, Leys, D, Levy, C. | Deposit date: | 2016-10-05 | Release date: | 2017-01-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Catalytic Determinants of Alkene Production by the Cytochrome P450 Peroxygenase OleTJE. J. Biol. Chem., 292, 2017
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5M1E
| Crystal structure of N-terminally tagged UbiD from E. coli reconstituted with prFMN cofactor | Descriptor: | (16~{R})-11,12,14,14-tetramethyl-3,5-bis(oxidanylidene)-8-[(2~{S},3~{S},4~{R})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),9(17),10,12-tetraene-16-sulfonic acid, 3-octaprenyl-4-hydroxybenzoate carboxy-lyase, MANGANESE (II) ION, ... | Authors: | Marshall, S.A, Leys, D. | Deposit date: | 2016-10-07 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Oxidative Maturation and Structural Characterization of Prenylated FMN Binding by UbiD, a Decarboxylase Involved in Bacterial Ubiquinone Biosynthesis. J. Biol. Chem., 292, 2017
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