5LI8
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![BU of 5li8 by Molmil](/molmil-images/mine/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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6Y2V
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6Y2W
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4Z44
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![BU of 4z44 by Molmil](/molmil-images/mine/4z44) | F454K Mutant of Tryptophan 7-halogenase PrnA | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent tryptophan halogenase PrnA, ... | Authors: | Shepherd, S.A, Karthikeyan, C, Latham, J, Struck, A.-W, Thompson, M.L, Menon, B, Levy, C.W, Leys, D, Micklefield, J. | Deposit date: | 2015-04-01 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.204 Å) | Cite: | Extending the biocatalytic scope of regiocomplementary flavin-dependent halogenase enzymes. Chem Sci, 6, 2015
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7R1I
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![BU of 7r1i by Molmil](/molmil-images/mine/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
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7R3U
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![BU of 7r3u by Molmil](/molmil-images/mine/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
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4YXP
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![BU of 4yxp by Molmil](/molmil-images/mine/4yxp) | The structure of the folded domain of the signature multifunctional protein ICP27 from herpes simplex virus-1 reveals an intertwined dimer. | Descriptor: | ZINC ION, mRNA export factor | Authors: | Tunnicliffe, R.B, Schacht, M, Levy, C.W, Jowitt, T.A, Sandri-Goldin, R.M, Golovanov, A.P. | Deposit date: | 2015-03-23 | Release date: | 2015-06-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | The structure of the folded domain from the signature multifunctional protein ICP27 from herpes simplex virus-1 reveals an intertwined dimer. Sci Rep, 5, 2015
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3KOX
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![BU of 3kox by Molmil](/molmil-images/mine/3kox) | Crystal Structure of ornithine 4,5 aminomutase in complex with 2,4-diaminobutyrate (Anaerobic) | Descriptor: | (2S)-2-amino-4-{[(1Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}butanoic acid, 5'-DEOXYADENOSINE, COBALAMIN, ... | Authors: | Wolthers, K.R, Levy, C.W, Scrutton, N.S, Leys, D. | Deposit date: | 2009-11-14 | Release date: | 2010-01-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Large-scale domain dynamics and adenosylcobalamin reorientation orchestrate radical catalysis in ornithine 4,5-aminomutase. J.Biol.Chem., 285, 2010
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3KOZ
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![BU of 3koz by Molmil](/molmil-images/mine/3koz) | Crystal Structure of ornithine 4,5 aminomutase in complex with ornithine (Anaerobic) | Descriptor: | (E)-N~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-ornithine, 5'-DEOXYADENOSINE, COBALAMIN, ... | Authors: | Wolthers, K.R, Levy, C.W, Scrutton, N.S, Leys, D. | Deposit date: | 2009-11-14 | Release date: | 2010-01-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Large-scale domain dynamics and adenosylcobalamin reorientation orchestrate radical catalysis in ornithine 4,5-aminomutase. J.Biol.Chem., 285, 2010
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8J2X
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![BU of 8j2x by Molmil](/molmil-images/mine/8j2x) | Saccharothrix syringae photocobilins protein, light state | Descriptor: | BILIVERDINE IX ALPHA, COBALAMIN, Cobalamin-binding protein, ... | Authors: | Zhang, S, Poddar, H, Levy, C, Leys, D. | Deposit date: | 2023-04-15 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Photocobilins integrate B12 and bilin photochemistry for enzyme control. Nat Commun, 15, 2024
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6QVF
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5EDT
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![BU of 5edt by Molmil](/molmil-images/mine/5edt) | Crystal structure of Mycobacterium tuberculosis CYP121 in complex with LIG9 | Descriptor: | 2-azanyl-5-chloranyl-benzamide, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Kavanagh, M.E, Coyne, A.G, McLean, K.J, James, G.G, Levy, C, Marino, L.B, Carvalho, L.P.D, Chan, D.S.H, Hudson, S.A, Surade, S, Munro, A.W, Abell, C. | Deposit date: | 2015-10-22 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016
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5C5U
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![BU of 5c5u by Molmil](/molmil-images/mine/5c5u) | The crystal structure of viral collagen prolyl hydroxylase vCPH from Paramecium Bursaria Chlorella virus-1 - Truncated Construct | Descriptor: | ACETATE ION, MANGANESE (II) ION, Prolyl 4-hydroxylase, ... | Authors: | Longbotham, J.E, Levy, C.W, Johannisen, L.O, Tarhonskaya, H, Jiang, S, Loenarz, C, Flashman, E, Hay, S, Schofiled, C.J, Scrutton, N.S. | Deposit date: | 2015-06-22 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and Mechanism of a Viral Collagen Prolyl Hydroxylase. Biochemistry, 54, 2015
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5C5T
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4Z43
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![BU of 4z43 by Molmil](/molmil-images/mine/4z43) | Crystal structure of Tryptophan 7-halogenase (PrnA) Mutant E450K | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent tryptophan halogenase PrnA, ... | Authors: | Levy, C.W. | Deposit date: | 2015-04-01 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Extending the biocatalytic scope of regiocomplementary flavin-dependent halogenase enzymes. Chem Sci, 6, 2015
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6Q7P
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![BU of 6q7p by Molmil](/molmil-images/mine/6q7p) | Crystal structure of OE1.2 | Descriptor: | 1,2-ETHANEDIOL, 1-PHENYLETHANONE, MAGNESIUM ION, ... | Authors: | Levy, C.W. | Deposit date: | 2018-12-13 | Release date: | 2019-06-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Design and evolution of an enzyme with a non-canonical organocatalytic mechanism. Nature, 570, 2019
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6Q7R
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6Q7O
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![BU of 6q7o by Molmil](/molmil-images/mine/6q7o) | Crystal structure of OE1 | Descriptor: | CALCIUM ION, OE1 | Authors: | Levy, C.W. | Deposit date: | 2018-12-13 | Release date: | 2019-06-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and evolution of an enzyme with a non-canonical organocatalytic mechanism. Nature, 570, 2019
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6Q7N
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6Q7Q
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![BU of 6q7q by Molmil](/molmil-images/mine/6q7q) | Crystal structure of OE1.3 | Descriptor: | OE1.3 | Authors: | Levy, C.W. | Deposit date: | 2018-12-13 | Release date: | 2019-06-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design and evolution of an enzyme with a non-canonical organocatalytic mechanism. Nature, 570, 2019
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8RA0
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![BU of 8ra0 by Molmil](/molmil-images/mine/8ra0) | Crystal structure of CysF | Descriptor: | AMP-dependent synthetase, CITRATE ANION, TETRAETHYLENE GLYCOL | Authors: | Levy, C.W. | Deposit date: | 2023-11-30 | Release date: | 2024-06-26 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Cryptic enzymatic assembly of peptides armed with beta-lactone warheads. Nat.Chem.Biol., 2024
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7QJL
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![BU of 7qjl by Molmil](/molmil-images/mine/7qjl) | Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with an inhibitor | Descriptor: | ACETATE ION, BROMIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Snee, M, Levy, C, Katariya, M. | Deposit date: | 2021-12-16 | Release date: | 2022-12-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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7QKE
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![BU of 7qke by Molmil](/molmil-images/mine/7qke) | 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-(cyclohexylmethyl)-5-pyridin-4-yl-indole-2-carboxylate | Authors: | Snee, M, Tunnicliffe, R, Leys, D, Levy, C, Katariya, M. | Deposit date: | 2021-12-17 | Release date: | 2022-12-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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7QNN
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![BU of 7qnn by Molmil](/molmil-images/mine/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
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7QWN
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![BU of 7qwn by Molmil](/molmil-images/mine/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
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