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6EVA
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BU of 6eva by Molmil
Structure of E277Q A. niger fdc1 in complex with a phenylpyruvate derived adduct to the prenylated flavin cofactor
Descriptor: 1-deoxy-5-O-phosphono-1-[(1S)-3,3,4,5-tetramethyl-9,11-dioxo-1-(phenylacetyl)-2,3,8,9,10,11-hexahydro-1H,7H-quinolino[1 ,8-fg]pteridin-7-yl]-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
Authors:Bailey, S.S, David, L, Payne, K.A.P.
Deposit date:2017-11-01
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis.
J. Biol. Chem., 293, 2018
6EV7
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BU of 6ev7 by Molmil
Structure of E282D A. niger Fdc1 with prFMN in the iminium form
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:Bailey, S.S, Leys, D, Payne, K.A.P.
Deposit date:2017-11-01
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis.
J. Biol. Chem., 293, 2018
6EV9
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BU of 6ev9 by Molmil
Structure of E277D A. niger Fdc1 with prFMN in the hydroxylated form
Descriptor: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Bailey, S.S.
Deposit date:2017-11-01
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis.
J. Biol. Chem., 293, 2018
6EV6
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BU of 6ev6 by Molmil
Structure of E282Q A. niger Fdc1 with prFMN in the hydroxylated and ketimine forms
Descriptor: 1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
Authors:Bailey, S.S, David, L, Payne, K.A.P.
Deposit date:2017-11-01
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis.
J. Biol. Chem., 293, 2018
6EVC
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BU of 6evc by Molmil
Structure of E282Q A. niger Fdc1 in complex with pentafluoro-cinnamic acid
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:Bailey, S.S, David, L, Payne, K.A.P.
Deposit date:2017-11-01
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis.
J. Biol. Chem., 293, 2018
6GIA
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BU of 6gia by Molmil
Crystal structure of pentaerythritol tetranitrate reductase (PETNR) mutant I107A
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
Authors:Levy, C.W.
Deposit date:2018-05-10
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Nonequivalence of Second Sphere "Noncatalytic" Residues in Pentaerythritol Tetranitrate Reductase in Relation to Local Dynamics Linked to H-Transfer in Reactions with NADH and NADPH Coenzymes.
Acs Catalysis, 8, 2018
6GI7
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BU of 6gi7 by Molmil
Crystal structure of pentaerythritol tetranitrate reductase (PETNR) mutant L25I
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
Authors:Levy, C.W.
Deposit date:2018-05-10
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Nonequivalence of Second Sphere "Noncatalytic" Residues in Pentaerythritol Tetranitrate Reductase in Relation to Local Dynamics Linked to H-Transfer in Reactions with NADH and NADPH Coenzymes.
Acs Catalysis, 8, 2018
6GI8
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BU of 6gi8 by Molmil
Crystal structure of pentaerythritol tetranitrate reductase (PETNR) mutant L25A
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
Authors:Levy, C.W.
Deposit date:2018-05-10
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Nonequivalence of Second Sphere "Noncatalytic" Residues in Pentaerythritol Tetranitrate Reductase in Relation to Local Dynamics Linked to H-Transfer in Reactions with NADH and NADPH Coenzymes.
Acs Catalysis, 8, 2018
6H6V
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BU of 6h6v by Molmil
Structure of the UbiD-class enzyme HmfF from Pelotomaculum thermopropionicum in complex with FMN
Descriptor: 3-polyprenyl-4-hydroxybenzoate decarboxylase and related decarboxylases, CALCIUM ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Payne, K.A.P, Leys, D.
Deposit date:2018-07-30
Release date:2019-02-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Enzymatic Carboxylation of 2-Furoic Acid Yields 2,5-Furandicarboxylic Acid (FDCA).
Acs Catalysis, 9, 2019
6GI9
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BU of 6gi9 by Molmil
Crystal structure of pentaerythritol tetranitrate reductase (PETNR) mutant I107L
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
Authors:Levy, C.W.
Deposit date:2018-05-10
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Nonequivalence of Second Sphere "Noncatalytic" Residues in Pentaerythritol Tetranitrate Reductase in Relation to Local Dynamics Linked to H-Transfer in Reactions with NADH and NADPH Coenzymes.
Acs Catalysis, 8, 2018
4AXX
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BU of 4axx by Molmil
The catalytically active fully closed conformation of human phosphoglycerate kinase in complex with ADP 3-phosphoglycerate and beryllium trifluoride
Descriptor: 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ...
Authors:Bowler, M.W.
Deposit date:2012-06-15
Release date:2013-06-26
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Metal fluorides-multi-functional tools for the study of phosphoryl transfer enzymes, a practical guide.
Structure, 2024
4C4R
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BU of 4c4r by Molmil
Structure of beta-phosphoglucomutase in complex with a phosphonate analogue of beta-glucose-1-phosphate and magnesium trifluoride
Descriptor: (1R)-1,5-anhydro-1-(phosphonomethyl)-D-glucitol, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ...
Authors:Pellegrini, E, Bowler, M.W.
Deposit date:2013-09-09
Release date:2014-07-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Alpha-Fluorophosphonates Reveal How a Phosphomutase Conserves Transition State Conformation Over Hexose Recognition in its Two-Step Reaction.
Proc.Natl.Acad.Sci.USA, 111, 2014
4C4S
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BU of 4c4s by Molmil
Structure of beta-phosphoglucomutase in complex with an alpha- fluorophosphonate analogue of beta-glucose-1-phosphate and magnesium trifluoride
Descriptor: (1R)-1,5-anhydro-1-[(S)-fluoro(phosphono)methyl]-D-glucitol, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ...
Authors:Pellegrini, E, Bowler, M.W.
Deposit date:2013-09-09
Release date:2014-07-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Alpha-Fluorophosphonates Reveal How a Phosphomutase Conserves Transition State Conformation Over Hexose Recognition in its Two-Step Reaction.
Proc.Natl.Acad.Sci.USA, 111, 2014
4C4T
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BU of 4c4t by Molmil
Structure of beta-phosphoglucomutase in complex with a phosphonate analogue of beta-glucose-1-phosphate and aluminium tetrafluoride
Descriptor: (1R)-1,5-anhydro-1-[(S)-fluoro(phosphono)methyl]-D-glucitol, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ...
Authors:Pellegrini, E, Bowler, M.W.
Deposit date:2013-09-09
Release date:2014-07-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Alpha-Fluorophosphonates Reveal How a Phosphomutase Conserves Transition State Conformation Over Hexose Recognition in its Two-Step Reaction.
Proc.Natl.Acad.Sci.USA, 111, 2014
3ZI4
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BU of 3zi4 by Molmil
The structure of Beta-phosphoglucomutase Inhibited With Glucose-6-phosphate and Scandium Tetrafluoride
Descriptor: 6-O-phosphono-beta-D-glucopyranose, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ...
Authors:Pellegrini, E, Bowler, M.W.
Deposit date:2013-01-03
Release date:2014-01-15
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Metal fluorides-multi-functional tools for the study of phosphoryl transfer enzymes, a practical guide.
Structure, 2024
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
3OZ0
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BU of 3oz0 by Molmil
PPAR Delta in complex with azppard02
Descriptor: Peroxisome proliferator-activated receptor delta, [4-({(1S)-1-[(2,4-dichlorophenyl)carbamoyl]-1,3-dihydro-2H-isoindol-2-yl}methyl)-2-methylphenoxy]acetic acid
Authors:Ogg, D.
Deposit date:2010-09-24
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of isoindoline and tetrahydroisoquinoline derivatives as potent, selective PPARδ agonists
Bioorg.Med.Chem.Lett., 21, 2011
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
1QCA
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BU of 1qca by Molmil
QUADRUPLE MUTANT Q92C, N146F, Y168F, I172V TYPE III CAT COMPLEXED WITH FUSIDIC ACID. CRYSTALS GROWN AT PH 6.3. X-RAY DATA COLLECTED AT ROOM TEMPERATURE
Descriptor: COBALT (II) ION, FUSIDIC ACID, TYPE III CHLORAMPHENICOL ACETYLTRANSFERASE
Authors:Leslie, A.G.W.
Deposit date:1995-08-03
Release date:1995-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Steroid recognition by chloramphenicol acetyltransferase: engineering and structural analysis of a high affinity fusidic acid binding site.
J.Mol.Biol., 254, 1995
1PDR
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BU of 1pdr by Molmil
CRYSTAL STRUCTURE OF THE THIRD PDZ DOMAIN FROM THE HUMAN HOMOLOG OF DISCS LARGE PROTEIN
Descriptor: HUMAN DISCS LARGE PROTEIN
Authors:Cabral, J.M, Liddington, R.
Deposit date:1996-07-26
Release date:1997-07-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of a PDZ domain.
Nature, 382, 1996
2HKR
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BU of 2hkr by Molmil
Structures of the carbinolamine and schiff-base intermediates in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with p-methoxyphenylethylamine
Descriptor: 2-(4-METHOXYPHENYL)ACETAMIDE, 2-(4-METHOXYPHENYL)ETHANAMINE, Aromatic amine dehydrogenase, ...
Authors:Roujeinikova, A, Leys, D.
Deposit date:2006-07-05
Release date:2008-04-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-reactivity correlations and kinetic isotope effects in aromatic amine dehydrogenase
To be Published
2HKM
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BU of 2hkm by Molmil
Crystal structure of the Schiff base intermediate in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with phenylethylamine.
Descriptor: 2-PHENYLETHYLAMINE, Aromatic amine dehydrogenase
Authors:Roujeinikova, A, Leys, D.
Deposit date:2006-07-05
Release date:2008-04-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-reactivity correlations and kinetic isotope effects in aromatic amine dehydrogenase
To be Published
2I0R
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BU of 2i0r by Molmil
Crystal structure of aromatic amine dehydrogenase TTQ-formamide adduct
Descriptor: Aromatic Amine Dehydrogenase
Authors:Roujeinikova, A, Leys, D.
Deposit date:2006-08-11
Release date:2007-04-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:New insights into the reductive half-reaction mechanism of aromatic amine dehydrogenase revealed by reaction with carbinolamine substrates.
J.Biol.Chem., 282, 2007
2I0S
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BU of 2i0s by Molmil
Crystal structure of aromatic amine dehydrogenase TTQ-phenylacetaldehyde adduct
Descriptor: Aromatic amine dehydrogenase, PHENYLACETALDEHYDE
Authors:Roujeinikova, A, Leys, D.
Deposit date:2006-08-11
Release date:2007-04-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:New insights into the reductive half-reaction mechanism of aromatic amine dehydrogenase revealed by reaction with carbinolamine substrates.
J.Biol.Chem., 282, 2007
2I0T
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BU of 2i0t by Molmil
Crystal structure of phenylacetaldehyde derived R-carbinolamine adduct of aromatic amine dehydrogenase
Descriptor: 2-PHENYL-ETHANOL, Aromatic amine dehydrogenase
Authors:Roujeinikova, A, Leys, D.
Deposit date:2006-08-11
Release date:2007-04-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:New insights into the reductive half-reaction mechanism of aromatic amine dehydrogenase revealed by reaction with carbinolamine substrates.
J.Biol.Chem., 282, 2007

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