6QLG
 
 | | Crystal structure of AnUbiX (PadA1) in complex with FMN and dimethylallyl pyrophosphate | | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYLALLYL DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Marshall, S.A, Payne, K.A.P, Leys, D. | | Deposit date: | 2019-02-01 | | Release date: | 2019-06-05 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
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1T9G
 | | Structure of the human MCAD:ETF complex | | Descriptor: | ADENOSINE MONOPHOSPHATE, Acyl-CoA dehydrogenase, medium-chain specific, ... | | Authors: | Toogood, H.S, van Thiel, A, Basran, J, Sutcliffe, M.J, Scrutton, N.S, Leys, D. | | Deposit date: | 2004-05-17 | | Release date: | 2004-06-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Extensive domain motion and electron transfer in the human electron transferring flavoprotein-medium chain Acyl-CoA dehydrogenase complex
J.Biol.Chem., 279, 2004
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1SMJ
 | | Structure of the A264E mutant of cytochrome P450 BM3 complexed with palmitoleate | | Descriptor: | Bifunctional P-450:NADPH-P450 reductase, PALMITOLEIC ACID, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Joyce, M.G, Girvan, H.M, Munro, A.W, Leys, D. | | Deposit date: | 2004-03-09 | | Release date: | 2004-06-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | A Single Mutation in Cytochrome P450 BM3 Induces the Conformational Rearrangement Seen upon Substrate Binding in the Wild-type Enzyme
J.Biol.Chem., 279, 2004
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6QLJ
 | | Crystal structure of F181Q UbiX in complex with an oxidised N5-C1' adduct derived from DMAP | | Descriptor: | 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono -D-ribitol, Flavin prenyltransferase UbiX, PHOSPHATE ION, ... | | Authors: | Marshall, S.A, Leys, D. | | Deposit date: | 2019-02-01 | | Release date: | 2019-06-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
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6QLH
 | | Crystal structure of UbiX in complex with reduced FMN and isopentyl monophosphate | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Flavin prenyltransferase UbiX, Isopentenyl phosphate, ... | | Authors: | Marshall, S.A, Leys, D. | | Deposit date: | 2019-02-01 | | Release date: | 2019-06-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
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6QLI
 | | Crystal structure of F181Q UbiX in complex with FMN and dimethylallyl monophosphate | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Dimethylallyl monophosphate, Flavin prenyltransferase UbiX, ... | | Authors: | Marshall, S.A, Leys, D. | | Deposit date: | 2019-02-01 | | Release date: | 2019-06-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
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6QLK
 | | Crystal structure of F181H UbiX in complex with 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, Flavin prenyltransferase UbiX, PHOSPHATE ION, ... | | Authors: | Marshall, S.A, Leys, D. | | Deposit date: | 2019-02-01 | | Release date: | 2019-06-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
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6QLL
 | | Crystal structure of F181H UbiX in complex with FMN and dimethylallyl monophosphate | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Dimethylallyl monophosphate, Flavin prenyltransferase UbiX, ... | | Authors: | Marshall, S.A, Leys, D. | | Deposit date: | 2019-02-01 | | Release date: | 2019-06-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
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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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1SMI
 | | A single mutation of P450 BM3 induces the conformational rearrangement seen upon substrate-binding in wild-type enzyme | | Descriptor: | Bifunctional P-450:NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Joyce, M.G, Girvan, H.M, Munro, A.W, Leys, D. | | Deposit date: | 2004-03-09 | | Release date: | 2004-06-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Single Mutation in Cytochrome P450 BM3 Induces the Conformational Rearrangement Seen upon Substrate Binding in the Wild-type Enzyme
J.Biol.Chem., 279, 2004
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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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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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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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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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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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6H6X
 | | Structure of an evolved dimeric form of the UbiD-class enzyme HmfF from Pelotomaculum thermopropionicum in complex with 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, 3-polyprenyl-4-hydroxybenzoate decarboxylase and related decarboxylases, CALCIUM ION, ... | | Authors: | Payne, K.A.P, Leys, D. | | Deposit date: | 2018-07-30 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Enzymatic Carboxylation of 2-Furoic Acid Yields 2,5-Furandicarboxylic Acid (FDCA).
Acs Catalysis, 9, 2019
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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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7AE5
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4GU5
 | | Structure of Full-length Drosophila Cryptochrome | | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION | | Authors: | Zoltowski, B.D, Vaidya, A.T, Top, D, Widom, J, Young, M.W, Levy, C, Jones, A.R, Scrutton, N.S, Leys, D, Crane, B.R. | | Deposit date: | 2012-08-29 | | Release date: | 2012-09-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Updated structure of Drosophila cryptochrome.
Nature, 495, 2013
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6HN8
 | | Structure of BM3 heme domain in complex with troglitazone | | Descriptor: | (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Jeffreys, L, Munro, A.W.M, Leys, D. | | Deposit date: | 2018-09-14 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Oxidation of antidiabetic compounds by cytochrome P450 BM3
To be published
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7AE4
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7NF3
 | | Structure of A. niger Fdc T395M variant (AnFdcI) in complex with 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, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ... | | Authors: | Saaret, A, Leys, D. | | Deposit date: | 2021-02-05 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Directed evolution of prenylated FMN-dependent Fdc supports efficient in vivo isobutene production.
Nat Commun, 12, 2021
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7NEY
 | | Structure of T. atroviride Fdc wild-type (TaFdc) in complex with 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, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ... | | Authors: | Saaret, A, Leys, D. | | Deposit date: | 2021-02-05 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Directed evolution of prenylated FMN-dependent Fdc supports efficient in vivo isobutene production.
Nat Commun, 12, 2021
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