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3PYY
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BU of 3pyy by Molmil
Discovery and Characterization of a Cell-Permeable, Small-molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site
Descriptor: (5R)-5-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]imidazolidine-2,4-dione, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, ...
Authors:Yang, J, Campobasso, N, Biju, M.P, Fisher, K, Pan, X.Q, Cottom, J, Galbraith, S, Ho, T, Zhang, H, Hong, X, Ward, P, Hofmann, G, Siegfried, B.
Deposit date:2010-12-13
Release date:2011-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery and Characterization of a Cell-Permeable, Small-Molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site.
Chem.Biol., 18, 2011
4O1E
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BU of 4o1e by Molmil
Structure of a methyltransferase component in complex with MTHF involved in O-demethylation
Descriptor: 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, Dihydropteroate synthase DHPS
Authors:Sjuts, H, Dunstan, M.S, Fisher, K, Leys, D.
Deposit date:2013-12-15
Release date:2015-01-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structures of the methyltransferase component of Desulfitobacterium hafniense DCB-2 O-demethylase shed light on methyltetrahydrofolate formation
Acta Crystallogr.,Sect.D, 71, 2015
4O0Q
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BU of 4o0q by Molmil
Apo structure of a methyltransferase component involved in O-demethylation
Descriptor: Dihydropteroate synthase DHPS
Authors:Sjuts, H, Dunstan, M.S, Fisher, K, Leys, D.
Deposit date:2013-12-14
Release date:2015-01-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structures of the methyltransferase component of Desulfitobacterium hafniense DCB-2 O-demethylase shed light on methyltetrahydrofolate formation
Acta Crystallogr.,Sect.D, 71, 2015
4O1F
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BU of 4o1f by Molmil
Structure of a methyltransferase component in complex with THF involved in O-demethylation
Descriptor: (6S)-5,6,7,8-TETRAHYDROFOLATE, Dihydropteroate synthase DHPS
Authors:Sjuts, H, Dunstan, M.S, Fisher, K, Leys, D.
Deposit date:2013-12-15
Release date:2015-01-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of the methyltransferase component of Desulfitobacterium hafniense DCB-2 O-demethylase shed light on methyltetrahydrofolate formation
Acta Crystallogr.,Sect.D, 71, 2015
5E1Z
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BU of 5e1z by Molmil
Crystal structure of the organohalide sensing RdhR-CbdbA1625 transcriptional regulator in the 2,4-dichlorophenol bound form
Descriptor: 2,4-dichlorophenol, 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:2024-01-10
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Crystal structures of RdhRCbdbA1625 provide insight into sensing of chloroaromatic compounds by MarR-type regulators
to be published
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
5E1X
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BU of 5e1x by Molmil
Crystal structure of the organohalide sensing RdhR-CbdbA1625 transcriptional regulator in the 3,4-dichlorophenol bound form
Descriptor: 3,4-dichlorophenol, 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:2024-01-10
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Crystal structures of RdhRCbdbA1625 provide insight into sensing of chloroaromatic compounds by MarR-type regulators
TO BE PUBLISHED
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
5E20
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BU of 5e20 by Molmil
Crystal structure of the organohalide sensing RdhR-CbdbA1625 transcriptional regulator in the 2,3-dichlorophenol bound form
Descriptor: 2,3-dichlorophenol, 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:2024-01-10
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal structures of RdhRCbdbA1625 provide insight into sensing of chloroaromatic compounds by MarR-type regulators
To be published
4JGI
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BU of 4jgi by Molmil
1.5 Angstrom crystal structure of a novel cobalamin-binding protein from Desulfitobacterium hafniense DCB-2
Descriptor: CO-METHYLCOBALAMIN, Putative uncharacterized protein
Authors:Sjuts, H, Dunstan, M.S, Fisher, K, Leys, D.
Deposit date:2013-03-01
Release date:2013-08-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the cobalamin-binding protein of a putative O-demethylase from Desulfitobacterium hafniense DCB-2.
Acta Crystallogr.,Sect.D, 69, 2013
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
3KX5
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BU of 3kx5 by Molmil
Crystal structure of Bacillus megaterium BM3 heme domain mutant F261E
Descriptor: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Girvan, H.M, Levy, C.W, Leys, D, Munro, A.W.
Deposit date:2009-12-02
Release date:2010-05-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.686 Å)
Cite:Glutamate-haem ester bond formation is disfavoured in flavocytochrome P450 BM3: characterization of glutamate substitution mutants at the haem site of P450 BM3.
Biochem.J., 427, 2010
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
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-y l)-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:2024-05-08
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:2024-05-08
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
5W4W
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BU of 5w4w by Molmil
Identification and Profiling of a Selective and Brain Penetrant Radioligand for In Vivo Target Occupancy Measurement of Casein Kinase 1 (CK1) Inhibitors
Descriptor: 4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-6-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one, Casein kinase I isoform delta, SULFATE ION
Authors:Liu, S.
Deposit date:2017-06-13
Release date:2017-06-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Identification and Profiling of a Selective and Brain Penetrant Radioligand for in Vivo Target Occupancy Measurement of Casein Kinase 1 (CK1) Inhibitors.
ACS Chem Neurosci, 8, 2017
6EV4
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BU of 6ev4 by Molmil
Structure of wild type A. niger Fdc1 purified in the dark 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, David, L, Payne, K.A.P.
Deposit date:2017-11-01
Release date:2017-12-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.14 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
6EVE
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BU of 6eve by Molmil
Structure of R175A S. cerevisiae 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, David, L.
Deposit date:2017-11-01
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.05 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
6EV8
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BU of 6ev8 by Molmil
Structure of E277Q A. niger Fdc1 with prFMN in the hydroxylated form
Descriptor: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM 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 (1.03 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
6EVF
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BU of 6evf by Molmil
Structure of E285D S. cerevisiae Fdc1 with prFMN in the hydroxylated 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, 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 (2.06 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
6EV3
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BU of 6ev3 by Molmil
Structure of wild type A. niger Fdc1 that has been illuminated with UV light, with prFMN in the iminium and ketimine 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, 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, ...
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 (1.3 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
6EVB
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BU of 6evb by Molmil
Structure of E282Q 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 (1.13 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
6EV5
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BU of 6ev5 by Molmil
Crystal structure of E282Q A. niger Fdc1 with prFMN in the hydroxylated form
Descriptor: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM 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 (1.28 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
6EVD
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BU of 6evd by Molmil
Structure of R173A A. niger Fdc1 with prFMN in the hydroxylated form
Descriptor: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM 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 (1.19 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

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