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PDB: 325 results

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
3CLU
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BU of 3clu by Molmil
Crystal structure of the R236K mutant from Methylophilus methylotrophus ETF
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 (1.8 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
3CLT
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BU of 3clt by Molmil
Crystal structure of the R236E mutant of Methylophilus methylotrophus ETF
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 (2 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
3CLS
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BU of 3cls by Molmil
Crystal structure of the R236C mutant of ETF from Methylophilus 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 (1.65 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
6R2P
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BU of 6r2p by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with FMN and cinnamic acid
Descriptor: FLAVIN MONONUCLEOTIDE, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
Authors:Bailey, S.S, Leys, D.
Deposit date:2019-03-18
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To Be Published
6R2R
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BU of 6r2r by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with prFMN (purified in dark) and alphafluorocinnamic acid
Descriptor: (2Z)-2-fluoro-3-phenylprop-2-enoic acid, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
Authors:Bailey, S.S, Leys, D.
Deposit date:2019-03-18
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To be published
6R34
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BU of 6r34 by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with the covalent adduct formed between prFMN cofactor and phenyl acetylene (Int3')
Descriptor: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Bailey, S.S, Leys, D.
Deposit date:2019-03-19
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To be published
6R3L
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BU of 6r3l by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with the covalent adduct formed between prFMN cofactor and cinnamic acid following decarboxylation (Int3)
Descriptor: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Bailey, S.S, Leys, D.
Deposit date:2019-03-20
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To be published
6R2Z
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BU of 6r2z by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) F437L variant in complex with the covalent adduct formed between prFMN cofactor and phenylpropiolic acid (Int1')
Descriptor: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Bailey, S.S, Leys, D.
Deposit date:2019-03-19
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To be published
6R30
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BU of 6r30 by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) L439G variant in complex with the covalent adduct formed between prFMN cofactor and phenylpropiolic acid (Int1')
Descriptor: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Bailey, S.S, Leys, D.
Deposit date:2019-03-19
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To be published
6R3G
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BU of 6r3g by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) E282Q variant in complex with the covalent adduct formed between prFMN cofactor and alphafluoro-cinnamic acid (Int2)
Descriptor: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Bailey, S.S, Leys, D.
Deposit date:2019-03-20
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To be published
6R3N
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BU of 6r3n by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with the covalent adduct formed between prFMN cofactor and butynoic acid (Int1')
Descriptor: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Bailey, S.S, Leys, D.
Deposit date:2019-03-20
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To be published
6R33
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BU of 6r33 by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc)in complex with the covalent adduct formed between prFMN cofactor and phenylpropiolic acid, following decarboxylation (Int3')
Descriptor: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Bailey, S.S, Leys, D.
Deposit date:2019-03-19
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To be published
6R3I
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BU of 6r3i by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) E282Q variant in complex with the covalent adduct formed between prFMN cofactor and pentafluorocinnamic acid (Int2)
Descriptor: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Bailey, S.S, Leys, D.
Deposit date:2019-03-20
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To be published
6R32
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BU of 6r32 by Molmil
Aspergillus niger ferrulic acid decarboxylase (Fdc) in complex with the covalent adduct formed between prFMN cofactor and phenylpropiolic acid (Int1')
Descriptor: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Bailey, S.S, Leys, D.
Deposit date:2019-03-19
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To be published
6R3J
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BU of 6r3j by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with the covalent adduct formed between prFMN cofactor and crotonic acid following decarboxylation (Int3)
Descriptor: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Bailey, S.S, Leys, D.
Deposit date:2019-03-20
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To be published
6R3F
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BU of 6r3f by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) E282Q variant in complex with the covalent adduct formed between prFMN cofactor and cinnamic acid (Int2)
Descriptor: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Bailey, S.S, Leys, D.
Deposit date:2019-03-20
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To Be Published
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
5NX7
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BU of 5nx7 by Molmil
Crystal structure of 1,8-cineole synthase from Streptomyces clavuligerus in complex with 2-fluoroneryl diphosphate and 2-fluorogeranyl diphosphate
Descriptor: (2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate, (2Z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, ...
Authors:Karuppiah, V, Leys, D, Scrutton, N.S.
Deposit date:2017-05-09
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structural Basis of Catalysis in the Bacterial Monoterpene Synthases Linalool Synthase and 1,8-Cineole Synthase.
ACS Catal, 7, 2017
5NX4
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BU of 5nx4 by Molmil
Crystal structure of Linalool/Nerolidol synthase from Streptomyces clavuligerus
Descriptor: GLYCEROL, Pentalenene synthase
Authors:Karuppiah, V, Leys, D, Scrutton, N.S.
Deposit date:2017-05-09
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural Basis of Catalysis in the Bacterial Monoterpene Synthases Linalool Synthase and 1,8-Cineole Synthase.
ACS Catal, 7, 2017
1JNI
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BU of 1jni by Molmil
Structure of the NapB subunit of the periplasmic nitrate reductase from Haemophilus influenzae.
Descriptor: DIHEME CYTOCHROME C NAPB, HEME C
Authors:Brige, A, Leys, D, Meyer, T.E, Cusanovich, M.A, Van Beeumen, J.J.
Deposit date:2001-07-24
Release date:2002-05-17
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:The 1.25 A resolution structure of the diheme NapB subunit of soluble nitrate reductase reveals a novel cytochrome c fold with a stacked heme arrangement.
Biochemistry, 41, 2002
5NX6
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BU of 5nx6 by Molmil
Crystal structure of 1,8-cineole synthase from Streptomyces clavuligerus in complex with 2-fluoroneryl diphosphate
Descriptor: (2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, ETHYL DIMETHYL AMMONIO PROPANE SULFONATE, ...
Authors:Karuppiah, V, Leys, D, Scrutton, N.S.
Deposit date:2017-05-09
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural Basis of Catalysis in the Bacterial Monoterpene Synthases Linalool Synthase and 1,8-Cineole Synthase.
ACS Catal, 7, 2017
5NY5
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BU of 5ny5 by Molmil
The apo structure of 3,4-dihydroxybenzoic acid decarboxylases from Enterobacter cloacae
Descriptor: 3,4-dihydroxybenzoate decarboxylase, GLYCEROL
Authors:Dordic, A, Gruber, K, Payer, S, Glueck, S, Pavkov-Keller, T, Marshall, S, Leys, D.
Deposit date:2017-05-11
Release date:2017-09-13
Last modified:2020-11-18
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Regioselective para-Carboxylation of Catechols with a Prenylated Flavin Dependent Decarboxylase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5NX5
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BU of 5nx5 by Molmil
Crystal structure of Linalool/Nerolidol synthase from Streptomyces clavuligerus in complex with 2-fluorogeranyl diphosphate
Descriptor: (2Z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate, CHLORIDE ION, GLYCEROL, ...
Authors:Karuppiah, V, Leys, D, Scrutton, N.S.
Deposit date:2017-05-09
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural Basis of Catalysis in the Bacterial Monoterpene Synthases Linalool Synthase and 1,8-Cineole Synthase.
ACS Catal, 7, 2017
5OG9
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BU of 5og9 by Molmil
The BM3 mutant WIFI-WC heme domain in complex with testosterone
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Gamble, C, Munro, A.W, Leys, D.
Deposit date:2017-07-12
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Regio- and diastereoselective hydroxylation of steroids using P450-BM3: Readdressing the numbers problem in directed evolution
To Be Published

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