4KEY
| Structure of P450 BM3 A82F F87V in complex with omeprazole | Descriptor: | 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole, Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Leys, D. | Deposit date: | 2013-04-26 | Release date: | 2013-07-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Key Mutations Alter the Cytochrome P450 BM3 Conformational Landscape and Remove Inherent Substrate Bias. J.Biol.Chem., 288, 2013
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4KF2
| Structure of the P4509 BM3 A82F F87V heme domain | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Leys, D. | Deposit date: | 2013-04-26 | Release date: | 2013-07-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Key Mutations Alter the Cytochrome P450 BM3 Conformational Landscape and Remove Inherent Substrate Bias. J.Biol.Chem., 288, 2013
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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
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8OEO
| Aspergillus niger ferulic acid decarboxylase (Fdc) V186C-A296C (DB4) variant in complex with prenylated flavin | 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, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ... | Authors: | Roberts, G.W, Leys, D. | Deposit date: | 2023-03-10 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Aspergillus niger ferulic acid decarboxylase (Fdc) V186C-A296C (DB4) variant in complex with prenylated flavin To Be Published
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8OEH
| Aspergillus niger ferulic acid decarboxylase (Fdc) C122-S261C (DB3) variant in complex with prenylated flavin | 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, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ... | Authors: | Roberts, G.W, Leys, D. | Deposit date: | 2023-03-10 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Aspergillus niger ferulic acid decarboxylase (Fdc) C122-S261C (DB3) variant in complex with prenylated flavin To Be Published
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8OED
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3TZB
| Quinone Oxidoreductase (NQ02) bound to NSC13000 | Descriptor: | 9-AMINOACRIDINE, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Dunstan, M.S, Leys, D. | Deposit date: | 2011-09-27 | Release date: | 2011-11-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1901 Å) | Cite: | In silico screening reveals structurally diverse, nanomolar inhibitors of NQO2 that are functionally active in cells and can modulate NF-kappa B signaling. Mol.Cancer Ther., 11, 2012
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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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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
| 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
| 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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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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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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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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1CXY
| STRUCTURE AND CHARACTERIZATION OF ECTOTHIORHODOSPIRA VACUOLATA CYTOCHROME B558, A PROKARYOTIC HOMOLOGUE OF CYTOCHROME B5 | Descriptor: | CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kostanjevecki, V, Leys, D, Van Driessche, G, Meyer, T.E, Cusanovich, M.A, Fischer, U, Guisez, Y, Van Beeumen, J. | Deposit date: | 1999-08-31 | Release date: | 1999-09-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure and characterization of Ectothiorhodospira vacuolata cytochrome b(558), a prokaryotic homologue of cytochrome b(5). J.Biol.Chem., 274, 1999
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3CLR
| Crystal structure of the R236A ETF mutant from M. methylotrophus | Descriptor: | ADENOSINE MONOPHOSPHATE, Electron transfer flavoprotein subunit alpha, Electron transfer flavoprotein subunit beta, ... | Authors: | Katona, G, Leys, D. | Deposit date: | 2008-03-20 | Release date: | 2008-04-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Probing the dynamic interface between trimethylamine dehydrogenase (TMADH) and electron transferring flavoprotein (ETF) in the TMADH-2ETF complex: role of the Arg-alpha237 (ETF) and Tyr-442 (TMADH) residue pair. Biochemistry, 47, 2008
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8J2W
| Saccharothrix syringae photocobilins protein, dark state | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 5'-DEOXYADENOSINE, BILIVERDINE IX ALPHA, ... | Authors: | Zhang, S, Poddar, H, Levy, W.C, Leys, D. | Deposit date: | 2023-04-15 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Photocobilins integrate B12 and bilin photochemistry for enzyme control. Nat Commun, 15, 2024
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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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8J2Y
| Acidimicrobiaceae bacterium photocobilins protein, dark state | Descriptor: | 5'-DEOXYADENOSINE, COBALAMIN, DI(HYDROXYETHYL)ETHER, ... | Authors: | Zhang, S, Poddar, H, Levy, W.C, Leys, D. | Deposit date: | 2023-04-15 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Photocobilins integrate B12 and bilin photochemistry for enzyme control. Nat Commun, 15, 2024
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8PO5
| Lactobacillus plantarum LpdD | Descriptor: | MANGANESE (II) ION, Protein LpdD | Authors: | Gahloth, D, Leys, D. | Deposit date: | 2023-07-03 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Gallate decarboxylase subunit D, LpdD To Be Published
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8PZO
| LpdD | Descriptor: | Protein LpdD, SODIUM ION | Authors: | Gahloth, D, Leys, D. | Deposit date: | 2023-07-27 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of LpdD from Lactobacillus plantarum. To Be Published
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8PZH
| LpdD (H61A) mutant | Descriptor: | MANGANESE (II) ION, PHOSPHATE ION, Protein LpdD | Authors: | Gahloth, D, Leys, D. | Deposit date: | 2023-07-27 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structure of LpdD (H61A) mutant from Lactobacillus plantarum. To Be Published
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2Q7Q
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2QTL
| Crystal Structure of the FAD-containing FNR-like Module of Human Methionine Synthase Reductase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Methionine synthase reductase | Authors: | Wolthers, K.R, Lou, X, Toogood, H.S, Leys, D, Scrutton, N.S. | Deposit date: | 2007-08-02 | Release date: | 2007-11-13 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanism of Coenzyme Binding to Human Methionine Synthase Reductase Revealed through the Crystal Structure of the FNR-like Module and Isothermal Titration Calorimetry Biochemistry, 46, 2007
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