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2R14
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BU of 2r14 by Molmil
Structure of morphinone reductase in complex with tetrahydroNAD
Descriptor: 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN MONONUCLEOTIDE, Morphinone reductase
Authors:Costello, C.L, Scrutton, N.S, Leys, D.
Deposit date:2007-08-22
Release date:2008-07-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Mutagenesis of morphinone reductase induces multiple reactive configurations and identifies potential ambiguity in kinetic analysis of enzyme tunneling mechanisms.
J.Am.Chem.Soc., 129, 2007
6ERA
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BU of 6era by Molmil
Crystal structure of cyclohexanone monooxygenase mutant (F249A, F280A and F435A) from Rhodococcus sp. Phi1 bound to NADP+
Descriptor: Cyclohexanone monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Karuppiah, V, Scrutton, N.S.
Deposit date:2017-10-17
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Biocatalytic Routes to Lactone Monomers for Polymer Production.
Biochemistry, 57, 2018
4CSP
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BU of 4csp by Molmil
Structure of the F306C mutant of nitrite reductase from Achromobacter xylosoxidans
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COPPER (II) ION, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE, ...
Authors:Leferink, N.G.H, Antonyuk, S.V, Houwman, J.A, Scrutton, N.S, REady, R, Hasnain, S.S.
Deposit date:2014-03-09
Release date:2014-07-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Impact of Residues Remote from the Catalytic Centre on Enzyme Catalysis of Copper Nitrite Reductase.
Nat.Commun., 5, 2014
4CSZ
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BU of 4csz by Molmil
STRUCTURE OF F306C MUTANT OF NITRITE REDUCTASE FROM Achromobacter XYLOSOXIDANS WITH NITRITE BOUND
Descriptor: COPPER (II) ION, DI(HYDROXYETHYL)ETHER, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE, ...
Authors:Leferink, N.G.H, Antonyuk, S.V, Houwman, J.A, Scrutton, N.S, REady, R, Hasnain, S.S.
Deposit date:2014-03-11
Release date:2014-07-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Impact of Residues Remote from the Catalytic Centre on Enzyme Catalysis of Copper Nitrite Reductase.
Nat.Commun., 5, 2014
1DJN
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BU of 1djn by Molmil
STRUCTURAL AND BIOCHEMICAL CHARACTERIZATION OF RECOMBINANT WILD TYPE TRIMETHYLAMINE DEHYDROGENASE FROM METHYLOPHILUS METHYLOTROPHUS (SP. W3A1)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ...
Authors:Trickey, P, Basran, J, Lian, L.-Y, Chen, Z.-W, Barton, J.D, Sutcliffe, M.J, Scrutton, N.S, Mathews, F.S.
Deposit date:1999-12-03
Release date:1999-12-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and biochemical characterization of recombinant wild type and a C30A mutant of trimethylamine dehydrogenase from methylophilus methylotrophus (sp. W(3)A(1)).
Biochemistry, 39, 2000
1DJQ
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BU of 1djq by Molmil
STRUCTURAL AND BIOCHEMICAL CHARACTERIZATION OF RECOMBINANT C30A MUTANT OF TRIMETHYLAMINE DEHYDROGENASE FROM METHYLOPHILUS METHYLOTROPHUS (SP. W3A1)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ...
Authors:Trickey, P, Basran, J, Lian, L.-Y, Chen, Z.-W, Barton, J.D, Sutcliffe, M.J, Scrutton, N.S, Mathews, F.S.
Deposit date:1999-12-03
Release date:1999-12-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and biochemical characterization of recombinant wild type and a C30A mutant of trimethylamine dehydrogenase from methylophilus methylotrophus (sp. W(3)A(1)).
Biochemistry, 39, 2000
1T9G
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BU of 1t9g by Molmil
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
1S24
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BU of 1s24 by Molmil
Rubredoxin domain II from Pseudomonas oleovorans
Descriptor: CADMIUM ION, Rubredoxin 2
Authors:Perry, A, Tambyrajah, W, Grossmann, J.G, Lian, L.Y, Scrutton, N.S.
Deposit date:2004-01-08
Release date:2004-05-04
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the two-iron rubredoxin of Pseudomonas oleovorans determined by NMR spectroscopy and solution X-ray scattering and interactions with rubredoxin reductase.
Biochemistry, 43, 2004
2A1U
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BU of 2a1u by Molmil
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
2ABA
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BU of 2aba by Molmil
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
2A1T
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BU of 2a1t by Molmil
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
2ABB
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BU of 2abb by Molmil
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
3GSI
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BU of 3gsi by Molmil
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
3GX9
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BU of 3gx9 by Molmil
Structure of morphinone reductase N189A mutant in complex with tetrahydroNAD
Descriptor: 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN MONONUCLEOTIDE, Morphinone reductase
Authors:Lafite, P, Scrutton, N.S, Leys, D.
Deposit date:2009-04-02
Release date:2009-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Parallel Pathways and Free-Energy Landscapes for Enzymatic Hydride Transfer Probed by Hydrostatic Pressure
Chembiochem, 10, 2009
3IA5
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BU of 3ia5 by Molmil
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
3K8E
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BU of 3k8e by Molmil
Crystal structure of E. coli lipopolysaccharide specific CMP-KDO synthetase
Descriptor: 3-deoxy-manno-octulosonate cytidylyltransferase
Authors:Heyes, D.J, Levy, C.W, Lafite, P, Scrutton, N.S, Leys, D.
Deposit date:2009-10-14
Release date:2009-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structure-based mechanism of CMP-2-keto-3-deoxymanno-octulonic acid synthetase: convergent evolution of a sugar-activating enzyme with DNA/RNA polymerases
J.Biol.Chem., 284, 2009
3K8D
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BU of 3k8d by Molmil
Crystal structure of E. coli lipopolysaccharide specific CMP-KDO synthetase in complex with CTP and 2-deoxy-Kdo
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, 3-deoxy-manno-octulosonate cytidylyltransferase, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Heyes, D.J, Levy, C.W, Lafite, P, Scrutton, N.S, Leys, D.
Deposit date:2009-10-14
Release date:2009-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based mechanism of CMP-2-keto-3-deoxymanno-octulonic acid synthetase: convergent evolution of a sugar-activating enzyme with DNA/RNA polymerases
J.Biol.Chem., 284, 2009
3KP0
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BU of 3kp0 by Molmil
Crystal Structure of ORNITHINE 4,5 AMINOMUTASE in complex with 2,4-diaminobutyrate (DAB) (Aerobic)
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 (2.8 Å)
Cite:Large-scale domain dynamics and adenosylcobalamin reorientation orchestrate radical catalysis in ornithine 4,5-aminomutase.
J.Biol.Chem., 285, 2010
3KFT
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BU of 3kft by Molmil
Crystal structure of Pentaerythritol Tetranitrate Reductase complex with 1,4,5,6-tetrahydro NADH
Descriptor: FLAVIN MONONUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Pentaerythritol tetranitrate reductase
Authors:Pudney, C.R, Levy, C.W, Leys, D, Scrutton, N.S.
Deposit date:2009-10-28
Release date:2010-02-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Evidence to support the hypothesis that promoting vibrations enhance the rate of an enzyme catalyzed H-tunneling reaction.
J.Am.Chem.Soc., 131, 2009
3KOY
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BU of 3koy by Molmil
Crystal Structure of ornithine 4,5 aminomutase in complex with ornithine (Aerobic)
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
3KP1
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BU of 3kp1 by Molmil
Crystal structure of ornithine 4,5 aminomutase (Resting State)
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, D-ornithine aminomutase E component, ...
Authors:Wolthers, K.R, Levy, C.W, Scrutton, N.S, Leys, D.
Deposit date:2009-11-14
Release date:2010-01-26
Last modified:2019-10-30
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Large-scale domain dynamics and adenosylcobalamin reorientation orchestrate radical catalysis in ornithine 4,5-aminomutase.
J.Biol.Chem., 285, 2010
3KRU
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BU of 3kru by Molmil
Crystal Structure of the Thermostable Old Yellow Enzyme from Thermoanaerobacter pseudethanolicus E39
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, NADH:flavin oxidoreductase/NADH oxidase
Authors:Adalbjornsson, B.V, Toogood, H.S, Leys, D, Scrutton, N.S.
Deposit date:2009-11-19
Release date:2009-12-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Biocatalysis with thermostable enzymes: structure and properties of a thermophilic 'ene'-reductase related to old yellow enzyme.
Chembiochem, 11, 2010
3KOW
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BU of 3kow by Molmil
Crystal Structure of ornithine 4,5 aminomutase backsoaked complex
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, D-ornithine aminomutase E component, ...
Authors:Wolthers, K.R, Levy, C.W, Scrutton, N.S, Leys, D.
Deposit date:2009-11-14
Release date:2010-01-26
Last modified:2012-10-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Large-scale domain dynamics and adenosylcobalamin reorientation orchestrate radical catalysis in ornithine 4,5-aminomutase.
J.Biol.Chem., 285, 2010
3KOX
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BU of 3kox by Molmil
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
3KOZ
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BU of 3koz by Molmil
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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