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7AE4
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BU of 7ae4 by Molmil
Structure of Sedimentibacter hydroxybenzoicus vanillic acid decarboxylase (ShVdcCD) in closed form
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Marshall, S.A, Leys, D.
Deposit date:2020-09-17
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Domain mobility and allosteric activation of UbiD decarboxylases
To Be Published
7AE5
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BU of 7ae5 by Molmil
Structure of Sedimentibacter hydroxybenzoicus vanillic acid decarboxylase (ShVdcCD) in open form
Descriptor: Phenolic acid decarboxylase, Protein ShdD, RUBIDIUM ION, ...
Authors:Marshall, S.A, Leys, D.
Deposit date:2020-09-17
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Domain mobility and allosteric activation of UbiD decarboxylases
To Be Published
7AE7
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BU of 7ae7 by Molmil
Structure of Sedimentibacter hydroxybenzoicus vanillic acid decarboxylase (ShVdcCD) in open form, with truncated ShVdcD (V59X)
Descriptor: Phenolic acid decarboxylase, Protein ShdD, SODIUM ION, ...
Authors:Marshall, S.A, Leys, D.
Deposit date:2020-09-17
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Domain mobility and allosteric activation of UbiD decarboxylases
To Be Published
5M1E
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BU of 5m1e by Molmil
Crystal structure of N-terminally tagged UbiD from E. coli reconstituted with prFMN cofactor
Descriptor: (16~{R})-11,12,14,14-tetramethyl-3,5-bis(oxidanylidene)-8-[(2~{S},3~{S},4~{R})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),9(17),10,12-tetraene-16-sulfonic acid, 3-octaprenyl-4-hydroxybenzoate carboxy-lyase, MANGANESE (II) ION, ...
Authors:Marshall, S.A, Leys, D.
Deposit date:2016-10-07
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Oxidative Maturation and Structural Characterization of Prenylated FMN Binding by UbiD, a Decarboxylase Involved in Bacterial Ubiquinone Biosynthesis.
J. Biol. Chem., 292, 2017
5M1D
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BU of 5m1d by Molmil
Crystal structure of N-terminally tagged UbiD from E. coli reconstituted with prFMN cofactor
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, 3-octaprenyl-4-hydroxybenzoate carboxy-lyase, MANGANESE (II) ION, ...
Authors:Marshall, S.A, Leys, D.
Deposit date:2016-10-07
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Oxidative Maturation and Structural Characterization of Prenylated FMN Binding by UbiD, a Decarboxylase Involved in Bacterial Ubiquinone Biosynthesis.
J. Biol. Chem., 292, 2017
5M1C
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BU of 5m1c by Molmil
Crystal structure of N-terminally tagged apo-UbiD from E. coli
Descriptor: 3-octaprenyl-4-hydroxybenzoate carboxy-lyase, TETRAETHYLENE GLYCOL
Authors:Marshall, S.A, Leys, D.
Deposit date:2016-10-07
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Oxidative Maturation and Structural Characterization of Prenylated FMN Binding by UbiD, a Decarboxylase Involved in Bacterial Ubiquinone Biosynthesis.
J. Biol. Chem., 292, 2017
6QLJ
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BU of 6qlj by Molmil
Crystal structure of F181Q UbiX in complex with an oxidised N5-C1' adduct derived from DMAP
Descriptor: 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono -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 (1.77 Å)
Cite:The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
6QLG
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BU of 6qlg by Molmil
Crystal structure of AnUbiX (PadA1) in complex with FMN and dimethylallyl pyrophosphate
Descriptor: DI(HYDROXYETHYL)ETHER, DIMETHYLALLYL DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, ...
Authors:Marshall, S.A, Payne, K.A.P, Leys, D.
Deposit date:2019-02-01
Release date:2019-06-05
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (2.15 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
6QLH
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BU of 6qlh by Molmil
Crystal structure of UbiX in complex with reduced FMN and isopentyl 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, Flavin prenyltransferase UbiX, Isopentenyl phosphate, ...
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 (1.57 Å)
Cite:The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
6QLI
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BU of 6qli by Molmil
Crystal structure of F181Q 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 (1.99 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
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
5O3N
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BU of 5o3n by Molmil
Crystal structure of E. cloacae 3,4-dihydroxybenzoic acid decarboxylase (AroY) reconstituted 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-yl)-D-ribitol, 3,4-dihydroxybenzoate decarboxylase, GLYCEROL, ...
Authors:Marshall, S.A, Leys, D.
Deposit date:2017-05-24
Release date:2017-09-13
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Regioselective para-Carboxylation of Catechols with a Prenylated Flavin Dependent Decarboxylase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5O3M
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BU of 5o3m by Molmil
Crystal structure of apo Klebsiella pneumoniae 3,4-dihydroxybenzoic acid decarboxylase (AroY)
Descriptor: Protocatechuate decarboxylase, pentane-1,5-diol
Authors:Marshall, S.A, Leys, D.
Deposit date:2017-05-24
Release date:2017-09-13
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Regioselective para-Carboxylation of Catechols with a Prenylated Flavin Dependent Decarboxylase.
Angew. Chem. Int. Ed. Engl., 56, 2017
7ABO
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BU of 7abo by Molmil
Structure of the N318H variant of the reversible pyrrole-2-carboxylic acid decarboxylase PA0254/HudA in complex with FMN
Descriptor: FLAVIN MONONUCLEOTIDE, MANGANESE (II) ION, SODIUM ION, ...
Authors:Leys, D, Marshall, S.A.
Deposit date:2020-09-08
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure and Mechanism of Pseudomonas aeruginosa PA0254/HudA, a prFMN-Dependent Pyrrole-2-carboxylic Acid Decarboxylase Linked to Virulence.
Acs Catalysis, 11, 2021
5M1B
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BU of 5m1b by Molmil
Crystal structure of C-terminally tagged apo-UbiD from E. coli
Descriptor: 3-octaprenyl-4-hydroxybenzoate carboxy-lyase
Authors:White, M, Leys, D.
Deposit date:2016-10-07
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Oxidative Maturation and Structural Characterization of Prenylated FMN Binding by UbiD, a Decarboxylase Involved in Bacterial Ubiquinone Biosynthesis.
J. Biol. Chem., 292, 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
7ABN
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BU of 7abn by Molmil
Structure of the reversible pyrrole-2-carboxylic acid decarboxylase PA0254/HudA
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, IMIDAZOLE, MANGANESE (II) ION, ...
Authors:Leys, D.
Deposit date:2020-09-08
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure and Mechanism of Pseudomonas aeruginosa PA0254/HudA, a prFMN-Dependent Pyrrole-2-carboxylic Acid Decarboxylase Linked to Virulence.
Acs Catalysis, 11, 2021
4ZAF
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BU of 4zaf by Molmil
Structure of UbiX in complex with oxidised FMN and dimethylallyl monophosphate
Descriptor: Dimethylallyl monophosphate, FLAVIN MONONUCLEOTIDE, POTASSIUM ION, ...
Authors:White, M.D, Leys, D.
Deposit date:2015-04-13
Release date:2015-06-17
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis.
Nature, 522, 2015
4ZAY
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BU of 4zay by Molmil
Structure of UbiX E49Q in complex with a covalent adduct between dimethylallyl monophosphate and reduced FMN
Descriptor: 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol, PHOSPHATE ION, POTASSIUM ION, ...
Authors:White, M.D, Leys, D.
Deposit date:2015-04-14
Release date:2015-06-17
Last modified:2015-07-01
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis.
Nature, 522, 2015
4ZAG
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BU of 4zag by Molmil
Structure of UbiX E49Q mutant in complex with oxidised FMN and dimethylallyl monophosphate
Descriptor: Dimethylallyl monophosphate, FLAVIN MONONUCLEOTIDE, POTASSIUM ION, ...
Authors:White, M.D, Leys, D.
Deposit date:2015-04-13
Release date:2015-06-17
Last modified:2015-07-01
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis.
Nature, 522, 2015
4ZAZ
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BU of 4zaz by Molmil
Structure of UbiX Y169F in complex with a covalent adduct formed between reduced FMN and dimethylallyl monophosphate
Descriptor: 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol, PHOSPHATE ION, SODIUM ION, ...
Authors:White, M.D, Leys, D.
Deposit date:2015-04-14
Release date:2015-06-17
Last modified:2015-07-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis.
Nature, 522, 2015
4ZAN
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BU of 4zan by Molmil
Structure of UbiX Y169F in complex with oxidised FMN and dimethylallyl monophosphate
Descriptor: Dimethylallyl monophosphate, FLAVIN MONONUCLEOTIDE, POTASSIUM ION, ...
Authors:White, M.D, Leys, D.
Deposit date:2015-04-13
Release date:2015-06-17
Last modified:2015-07-01
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis.
Nature, 522, 2015
4ZAX
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BU of 4zax by Molmil
Structure of UbiX in complex with oxidised prenylated FMN (radical)
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-yl)-D-ribitol, PHOSPHATE ION, THIOCYANATE ION, ...
Authors:White, M.D, Leys, D.
Deposit date:2015-04-14
Release date:2015-06-17
Last modified:2015-07-01
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis.
Nature, 522, 2015

 

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