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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
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
2XX1
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BU of 2xx1 by Molmil
STRUCTURE OF THE N90S MUTANT OF NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS complexed with nitrite
Descriptor: COPPER (II) ION, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE, NITRITE ION, ...
Authors:Antonyuk, S.V, Leferink, N.G.H, Han, C, Heyes, D.J, Rigby, S.E.J, Hough, M.A, Eady, R.R, Scrutton, N.S, Hasnain, S.S.
Deposit date:2010-11-07
Release date:2011-05-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Proton-Coupled Electron Transfer in the Catalytic Cycle of Alcaligenes Xylosoxidans Copper-Dependent Nitrite Reductase.
Biochemistry, 50, 2011
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
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
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
2AH1
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BU of 2ah1 by Molmil
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
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
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
2QTL
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BU of 2qtl by Molmil
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
2QTZ
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BU of 2qtz by Molmil
Crystal Structure of the NADP+-bound FAD-containing FNR-like Module of Human Methionine Synthase Reductase
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Methionine synthase reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
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
2AGX
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BU of 2agx by Molmil
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
2AGY
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BU of 2agy by Molmil
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
2AGW
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BU of 2agw by Molmil
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
2AH0
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BU of 2ah0 by Molmil
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
2AGL
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BU of 2agl by Molmil
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
2AGZ
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BU of 2agz by Molmil
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
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
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
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
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
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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