5MHK
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![BU of 5mhk by Molmil](/molmil-images/mine/5mhk) | ICP4 DNA-binding domain in complex with 19mer DNA duplex from its own promoter | Descriptor: | CHLORIDE ION, DNA (5'-D(*GP*CP*TP*CP*CP*GP*TP*GP*TP*GP*GP*AP*CP*GP*AP*TP*CP*GP*G)-3'), ICP4 DNA BINDING DOMAIN, ... | Authors: | Tunnicliffe, R.B, Lockhart-Cairns, M.P, Levy, C, Mould, P, Jowitt, T.A, Sito, H, Baldock, C, Sandri-Goldin, R.M, Golovanov, A.P. | Deposit date: | 2016-11-24 | Release date: | 2017-05-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | The herpes viral transcription factor ICP4 forms a novel DNA recognition complex. Nucleic Acids Res., 45, 2017
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5MHJ
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![BU of 5mhj by Molmil](/molmil-images/mine/5mhj) | ICP4 DNA-binding domain, lacking intrinsically disordered region, in complex with 12mer DNA duplex from its own promoter | Descriptor: | ACETIC ACID, CHLORIDE ION, DNA (5'-D(P*CP*GP*AP*TP*CP*GP*TP*CP*C)-3'), ... | Authors: | Tunnicliffe, R.B, Lockhart-Cairns, M.P, Levy, C, Mould, P, Jowitt, T.A, Sito, H, Baldock, C, Sandri-Goldin, R.M, Golovanov, A.P. | Deposit date: | 2016-11-24 | Release date: | 2017-05-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.117 Å) | Cite: | The herpes viral transcription factor ICP4 forms a novel DNA recognition complex. Nucleic Acids Res., 45, 2017
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8C3W
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![BU of 8c3w by Molmil](/molmil-images/mine/8c3w) | Crystal structure of a computationally designed heme binding protein, dnHEM1 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ortmayer, M, Levy, C. | Deposit date: | 2022-12-29 | Release date: | 2023-07-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design of Heme Enzymes with a Tunable Substrate Binding Pocket Adjacent to an Open Metal Coordination Site. J.Am.Chem.Soc., 145, 2023
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3GSI
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![BU of 3gsi by Molmil](/molmil-images/mine/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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3IA5
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![BU of 3ia5 by Molmil](/molmil-images/mine/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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6FAD
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![BU of 6fad by Molmil](/molmil-images/mine/6fad) | SR protein kinase 1 (SRPK1) in complex with the RGG-box of HSV1 ICP27 | Descriptor: | PHOSPHATE ION, SRSF protein kinase 1, mRNA export factor | Authors: | Tunnicliffe, R.B, Levy, C, Mould, A.P, Mckenzie, E.A, Sandri-Goldin, R.M, Golovanov, A.P. | Deposit date: | 2017-12-15 | Release date: | 2019-09-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Molecular Mechanism of SR Protein Kinase 1 Inhibition by the Herpes Virus Protein ICP27. Mbio, 10, 2019
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3IVY
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![BU of 3ivy by Molmil](/molmil-images/mine/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
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![BU of 3iw2 by Molmil](/molmil-images/mine/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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6Y1T
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![BU of 6y1t by Molmil](/molmil-images/mine/6y1t) | The crystal structure of engineered cytochrome c peroxidase from Saccharomyces cerevisiae with a Trp51 to S-Trp51 modification | Descriptor: | 1,2-ETHANEDIOL, Cytochrome c peroxidase, mitochondrial, ... | Authors: | Ortmayer, M, Levy, C, Green, A.P. | Deposit date: | 2020-02-13 | Release date: | 2021-06-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase. Jacs Au, 1, 2021
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6Y2Y
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![BU of 6y2y by Molmil](/molmil-images/mine/6y2y) | The crystal structure of engineered cytochrome c peroxidase from Saccharomyces cerevisiae with Trp51 to S-Trp51 and Trp191Phe modifications | Descriptor: | 1,2-ETHANEDIOL, Cytochrome c peroxidase, mitochondrial, ... | Authors: | Ortmayer, M, Levy, C, Green, A.P. | Deposit date: | 2020-02-17 | Release date: | 2021-06-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase. Jacs Au, 1, 2021
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3IP8
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![BU of 3ip8 by Molmil](/molmil-images/mine/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
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![BU of 3iw0 by Molmil](/molmil-images/mine/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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3JSX
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![BU of 3jsx by Molmil](/molmil-images/mine/3jsx) | X-ray Crystal structure of NAD(P)H: Quinone Oxidoreductase-1 (NQO1) bound to the coumarin-based inhibitor AS1 | Descriptor: | 4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2H-chromen-2-one, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | Authors: | Dunstan, M.S, Levy, C, Leys, D. | Deposit date: | 2009-09-11 | Release date: | 2010-01-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1). J.Med.Chem., 52, 2009
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3IW1
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![BU of 3iw1 by Molmil](/molmil-images/mine/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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6H08
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![BU of 6h08 by Molmil](/molmil-images/mine/6h08) | The crystal structure of engineered cytochrome c peroxidase from Saccharomyces cerevisiae with a His175Me-His proximal ligand substitution | Descriptor: | COBALT (II) ION, Cytochrome c peroxidase, mitochondrial, ... | Authors: | Ortmayer, M, Levy, C, Green, A.P. | Deposit date: | 2018-07-06 | Release date: | 2020-02-12 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rewiring the "Push-Pull" Catalytic Machinery of a Heme Enzyme Using an Expanded Genetic Code. Acs Catalysis, 10, 2020
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5IBG
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![BU of 5ibg by Molmil](/molmil-images/mine/5ibg) | |
5IBH
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![BU of 5ibh by Molmil](/molmil-images/mine/5ibh) | |
5IBF
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![BU of 5ibf by Molmil](/molmil-images/mine/5ibf) | |
5IBI
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5IBE
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![BU of 5ibe by Molmil](/molmil-images/mine/5ibe) | |
5IBJ
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5IBD
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![BU of 5ibd by Molmil](/molmil-images/mine/5ibd) | |
5LIE
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5LI7
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![BU of 5li7 by Molmil](/molmil-images/mine/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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5LI6
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![BU of 5li6 by Molmil](/molmil-images/mine/5li6) | Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with N-isopropyl-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-2-(4-nitrophenyl)acetamide | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126, ~{N}-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-nitrophenyl)-~{N}-propan-2-yl-ethanamide | 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 (1.95 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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