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6QLV
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BU of 6qlv by Molmil
Crystal structure of W200H UbiX in complex with a geranyl-FMN N5 adduct
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, 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 (2.391 Å)
Cite:The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
6QLK
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BU of 6qlk by Molmil
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
6QLL
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BU of 6qll by Molmil
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
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
6R2T
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BU of 6r2t by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with prFMN (purified in the radical form) and phenylpropiolic 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, Leys, D.
Deposit date:2019-03-18
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.29 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
6R3O
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BU of 6r3o by Molmil
Aspergillus niger ferric acid decarboxylase (Fdc) L439G variant in complex with prFMN (purified in the radical form) and phenylpropiolic 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, 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
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
4Z44
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BU of 4z44 by Molmil
F454K Mutant of Tryptophan 7-halogenase PrnA
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent tryptophan halogenase PrnA, ...
Authors:Shepherd, S.A, Karthikeyan, C, Latham, J, Struck, A.-W, Thompson, M.L, Menon, B, Levy, C.W, Leys, D, Micklefield, J.
Deposit date:2015-04-01
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Extending the biocatalytic scope of regiocomplementary flavin-dependent halogenase enzymes.
Chem Sci, 6, 2015
5A3C
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BU of 5a3c by Molmil
Crystal structure of the ADP-ribosylating sirtuin (SirTM) from Streptococcus pyogenes in complex with NAD
Descriptor: 1,2-ETHANEDIOL, GLYCINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Rack, J.G.M, Morra, R, Barkauskaite, E, Kraehenbuehl, R, Ariza, A, Qu, Y, Ortmayer, M, Leidecker, O, Cameron, D.R, Matic, I, Peleg, A.Y, Leys, D, Traven, A, Ahel, I.
Deposit date:2015-05-28
Release date:2015-07-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Identification of a Class of Protein Adp-Ribosylating Sirtuins in Microbial Pathogens.
Mol.Cell, 59, 2015
5A35
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BU of 5a35 by Molmil
Crystal structure of Glycine Cleavage Protein H-Like (GcvH-L) from Streptococcus pyogenes
Descriptor: GLYCINE CLEAVAGE SYSTEM H PROTEIN, PENTAETHYLENE GLYCOL
Authors:Rack, J.G.M, Morra, R, Barkauskaite, E, Kraehenbuehl, R, Ariza, A, Qu, Y, Ortmayer, M, Leidecker, O, Cameron, D.R, Matic, I, Peleg, A.Y, Leys, D, Traven, A, Ahel, I.
Deposit date:2015-05-27
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of a Class of Protein Adp-Ribosylating Sirtuins in Microbial Pathogens.
Mol.Cell, 59, 2015
5A3B
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BU of 5a3b by Molmil
Crystal structure of the ADP-ribosylating sirtuin (SirTM) from Streptococcus pyogenes in complex with ADP-ribose
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, ALANINE, ...
Authors:Rack, J.G.M, Morra, R, Barkauskaite, E, Kraehenbuehl, R, Ariza, A, Qu, Y, Ortmayer, M, Leidecker, O, Cameron, D.R, Matic, I, Peleg, A.Y, Leys, D, Traven, A, Ahel, I.
Deposit date:2015-05-28
Release date:2015-07-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of a Class of Protein Adp-Ribosylating Sirtuins in Microbial Pathogens.
Mol.Cell, 59, 2015
5A3A
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BU of 5a3a by Molmil
Crystal structure of the ADP-ribosylating sirtuin (SirTM) from Streptococcus pyogenes (Apo form)
Descriptor: 1,2-ETHANEDIOL, GLYCINE, SIR2 FAMILY PROTEIN, ...
Authors:Rack, J.G.M, Morra, R, Barkauskaite, E, Kraehenbuehl, R, Ariza, A, Qu, Y, Ortmayer, M, Leidecker, O, Cameron, D.R, Matic, I, Peleg, A.Y, Leys, D, Traven, A, Ahel, I.
Deposit date:2015-05-28
Release date:2015-07-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Identification of a Class of Protein Adp-Ribosylating Sirtuins in Microbial Pathogens.
Mol.Cell, 59, 2015
5D6S
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BU of 5d6s by Molmil
Structure of epoxyqueuosine reductase from Streptococcus thermophilus.
Descriptor: COBALAMIN, Epoxyqueuosine reductase, IRON/SULFUR CLUSTER
Authors:Payne, K.A.P, Fisher, K, Dunstan, M.S, Sjuts, H, Leys, D.
Deposit date:2015-08-12
Release date:2015-09-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Epoxyqueuosine Reductase Structure Suggests a Mechanism for Cobalamin-dependent tRNA Modification.
J.Biol.Chem., 290, 2015
5E1W
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BU of 5e1w by Molmil
Crystal structure of the organohalide sensing RdhR-CbdbA1625 transcriptional regulator in the ligand free form
Descriptor: Transcriptional regulator, MarR family
Authors:Quezada, C.P, Dunstan, M.S, Fisher, K, Leys, D.
Deposit date:2015-09-30
Release date:2016-10-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.392 Å)
Cite:Crystal structures of RdhRCbdbA1625 provide insight into sensing of chloroaromatic compounds by MarR-type regulators
to be published

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