3SIJ
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2XKR
| Crystal Structure of Mycobacterium tuberculosis CYP142: A novel cholesterol oxidase | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 142, TETRAETHYLENE GLYCOL | Authors: | Driscoll, M, McLean, K.J, Levy, C.W, Lafite, P, Mast, N, Pikuleva, I.A, Rigby, S.E.J, Leys, D, Munro, A.W. | Deposit date: | 2010-07-12 | Release date: | 2010-09-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Structural and Biochemical Characterization of Mycobacterium Tuberculosis Cyp142: Evidence for Multiple Cholesterol 27-Hydroxylase Activities in a Human Pathogen. J.Biol.Chem., 285, 2010
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7PDA
| Crystal structure of Phenazine 1-carboxylic acid decarboxylase from Mycobacterium fortuitum | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, MANGANESE (II) ION, SODIUM ION, ... | Authors: | Gahloth, D, Leys, D. | Deposit date: | 2021-08-05 | Release date: | 2022-08-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal structure of Phenazine 1-carboxylic acid decarboxylase from Mycobacterium fortuitum To Be Published
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7P9Q
| Crystal structure of Indole 3-Carboxylic acid decarboxylase from Arthrobacter nicotianae FI1612 in complex with co-factor prFMN. | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, AnInD, MANGANESE (II) ION, ... | Authors: | Gahloth, D, Leys, D. | Deposit date: | 2021-07-27 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structural and biochemical characterization of the prenylated flavin mononucleotide-dependent indole-3-carboxylic acid decarboxylase. J.Biol.Chem., 298, 2022
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7YXF
| Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | Descriptor: | 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | Authors: | Snee, M, Katariya, M, Levy, C, Leys, D. | Deposit date: | 2022-02-16 | Release date: | 2023-03-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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7ZQR
| Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | Descriptor: | 4-(4-methoxyphenyl)pyridine, CHLORIDE ION, GLYCEROL, ... | Authors: | Snee, M, Katariya, M, Tunnicliffe, R, Levy, C, Leys, D. | Deposit date: | 2022-05-02 | Release date: | 2023-04-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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7ZSU
| Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, Steroid C26-monooxygenase, ... | Authors: | Snee, M, Katariya, M, Levy, C, Leys, D. | Deposit date: | 2022-05-09 | Release date: | 2023-04-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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7ZXD
| Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | Descriptor: | 1-[1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indol-2-yl]butan-1-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Snee, M, Katariya, M, Levy, C, Leys, D. | Deposit date: | 2022-05-20 | Release date: | 2023-04-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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7ZT0
| Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | Descriptor: | 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole-2-carboxamide, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Snee, M, Katariya, M, Levy, C, Leys, D. | Deposit date: | 2022-05-09 | Release date: | 2023-04-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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7ZLZ
| Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, Steroid C26-monooxygenase, ... | Authors: | Snee, M, Katariya, M, Levy, C, Leys, D. | Deposit date: | 2022-04-17 | Release date: | 2023-04-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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5HDI
| Structural characterization of CYP144A1, a Mycobacterium tuberculosis cytochrome P450 | Descriptor: | Cytochrome P450 144, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Chenge, J, Driscoll, M.D, McLean, K.J, Munro, A.W, Leys, D. | Deposit date: | 2016-01-05 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structural characterization of CYP144A1 - a cytochrome P450 enzyme expressed from alternative transcripts in Mycobacterium tuberculosis. Sci Rep, 6, 2016
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2A1U
| Crystal structure of the human ETF E165betaA mutant | Descriptor: | ADENOSINE MONOPHOSPHATE, Electron transfer flavoprotein alpha-subunit, mitochondrial precursor, ... | Authors: | Toogood, H.S, Van Thiel, A, Scrutton, N.S, Leys, D. | Deposit date: | 2005-06-21 | Release date: | 2005-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Stabilization of Non-productive Conformations Underpins Rapid Electron Transfer to Electron-transferring Flavoprotein J.Biol.Chem., 280, 2005
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2ABA
| Structure of reduced PETN reductase in complex with progesterone | Descriptor: | FLAVIN MONONUCLEOTIDE, ISOPROPYL ALCOHOL, PROGESTERONE, ... | Authors: | Khan, H, Barna, T, Bruce, N.C, Munro, A.W, Leys, D, Scrutton, N.S. | Deposit date: | 2005-07-15 | Release date: | 2005-10-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Proton transfer in the oxidative half-reaction of pentaerythritol tetranitrate reductase Febs J., 272, 2005
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2A1T
| Structure of the human MCAD:ETF E165betaA complex | Descriptor: | ADENOSINE MONOPHOSPHATE, Acyl-CoA dehydrogenase, medium-chain specific, ... | Authors: | Toogood, H.S, Van Thiel, A, Scrutton, N.S, Leys, D. | Deposit date: | 2005-06-21 | Release date: | 2005-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Stabilization of Non-productive Conformations Underpins Rapid Electron Transfer to Electron-transferring Flavoprotein J.Biol.Chem., 280, 2005
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2ABB
| Structure of PETN reductase Y186F in complex with cyanide | Descriptor: | FLAVIN MONONUCLEOTIDE, ISOPROPYL ALCOHOL, THIOCYANATE ION, ... | Authors: | Khan, H, Barna, T, Bruce, N.C, Munro, A.W, Leys, D, Scrutton, N.S. | Deposit date: | 2005-07-15 | Release date: | 2005-10-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Proton transfer in the oxidative half-reaction of pentaerythritol tetranitrate reductase Febs J., 272, 2005
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2AH1
| Crystal structure of aromatic amine dehydrogenase (AADH) from Alcaligenes faecalis | Descriptor: | Aromatic amine dehydrogenase | Authors: | Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D. | Deposit date: | 2005-07-27 | Release date: | 2006-04-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Atomic description of an enzyme reaction dominated by proton tunneling Science, 312, 2006
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2AGZ
| Crystal structure of the carbinolamine intermediate in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with tryptamine. F222 form | Descriptor: | (1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL, Aromatic amine dehydrogenase, ZINC ION | Authors: | Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D. | Deposit date: | 2005-07-27 | Release date: | 2006-04-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Atomic description of an enzyme reaction dominated by proton tunneling Science, 312, 2006
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2AGX
| Crystal structure of the Schiff base intermediate in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with tryptamine. P212121 form | Descriptor: | 2-(1H-INDOL-3-YL)ETHANIMINE, Aromatic amine dehydrogenase | Authors: | Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D. | Deposit date: | 2005-07-27 | Release date: | 2006-04-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Atomic description of an enzyme reaction dominated by proton tunneling Science, 312, 2006
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2AGW
| Crystal structure of tryptamine-reduced aromatic amine dehydrogenase (AADH) from Alcaligenes faecalis in complex with tryptamine | Descriptor: | 2-(1H-INDOL-3-YL)ETHANAMINE, Aromatic amine dehydrogenase | Authors: | Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D. | Deposit date: | 2005-07-27 | Release date: | 2006-04-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Atomic description of an enzyme reaction dominated by proton tunneling Science, 312, 2006
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2AH0
| Crystal structure of the carbinolamine intermediate in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with tryptamine. Monoclinic form | Descriptor: | (1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL, 2-(1H-INDOL-3-YL)ETHANIMINE, Aromatic amine dehydrogenase | Authors: | Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D. | Deposit date: | 2005-07-27 | Release date: | 2006-04-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Atomic description of an enzyme reaction dominated by proton tunneling Science, 312, 2006
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2AGL
| Crystal structure of the phenylhydrazine adduct of aromatic amine dehydrogenase from Alcaligenes faecalis | Descriptor: | 1-PHENYLHYDRAZINE, Aromatic amine dehydrogenase | Authors: | Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D. | Deposit date: | 2005-07-27 | Release date: | 2006-04-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Atomic description of an enzyme reaction dominated by proton tunneling Science, 312, 2006
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2AGY
| Crystal structure of the Schiff base intermediate in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with tryptamine. Monoclinic form | Descriptor: | 2-(1H-INDOL-3-YL)ETHANIMINE, Aromatic amine dehydrogenase | Authors: | Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D. | Deposit date: | 2005-07-27 | Release date: | 2006-04-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Atomic description of an enzyme reaction dominated by proton tunneling Science, 312, 2006
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1JRX
| Crystal structure of Arg402Ala mutant flavocytochrome c3 from Shewanella frigidimarina | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FLAVOCYTOCHROME C, FUMARIC ACID, ... | Authors: | Mowat, C.G, Moysey, R, Miles, C.S, Leys, D, Doherty, M.K, Taylor, P, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | Deposit date: | 2001-08-15 | Release date: | 2001-11-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Kinetic and crystallographic analysis of the key active site acid/base arginine in a soluble fumarate reductase. Biochemistry, 40, 2001
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1JRZ
| Crystal structure of Arg402Tyr mutant flavocytochrome c3 from Shewanella frigidimarina | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FLAVOCYTOCHROME C, FUMARIC ACID, ... | Authors: | Mowat, C.G, Moysey, R, Miles, C.S, Leys, D, Doherty, M.K, Taylor, P, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | Deposit date: | 2001-08-15 | Release date: | 2001-11-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Kinetic and crystallographic analysis of the key active site acid/base arginine in a soluble fumarate reductase. Biochemistry, 40, 2001
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1JRY
| Crystal structure of Arg402Lys mutant flavocytochrome c3 from Shewanella frigidimarina | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FLAVOCYTOCHROME C, FUMARIC ACID, ... | Authors: | Mowat, C.G, Moysey, R, Miles, C.S, Leys, D, Doherty, M.K, Taylor, P, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | Deposit date: | 2001-08-15 | Release date: | 2001-11-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Kinetic and crystallographic analysis of the key active site acid/base arginine in a soluble fumarate reductase. Biochemistry, 40, 2001
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