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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
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
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
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
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
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
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
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:2015-11-25
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Epoxyqueuosine Reductase Structure Suggests a Mechanism for Cobalamin-dependent tRNA Modification.
J.Biol.Chem., 290, 2015
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
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
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
4KBK
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BU of 4kbk by Molmil
CK1d in complex with (3S)-3-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}morpholine inhibitor
Descriptor: (3S)-3-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}morpholine, Casein kinase I isoform delta, SULFATE ION
Authors:Liu, S.
Deposit date:2013-04-23
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ligand-protein interactions of selective casein kinase 1 delta inhibitors.
J.Med.Chem., 56, 2013
4KBA
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BU of 4kba by Molmil
CK1d in complex with 9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine inhibitor
Descriptor: 9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine, Casein kinase I isoform delta, SULFATE ION
Authors:Liu, S.
Deposit date:2013-04-23
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Ligand-protein interactions of selective casein kinase 1 delta inhibitors.
J.Med.Chem., 56, 2013
4KBC
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BU of 4kbc by Molmil
CK1d in complex with {4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDIN-2-YL}METHANOL inhibitor
Descriptor: 1,2-ETHANEDIOL, Casein kinase I isoform delta, SULFATE ION, ...
Authors:Liu, S.
Deposit date:2013-04-23
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Ligand-protein interactions of selective casein kinase 1 delta inhibitors.
J.Med.Chem., 56, 2013
4KB8
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BU of 4kb8 by Molmil
CK1d in complex with 1-{4-[3-(4-FLUOROPHENYL)-1-METHYL-1H-PYRAZOL-4-YL]PYRIDIN-2-YL}-N-METHYLMETHANAMINE ligand
Descriptor: 1-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}-N-methylmethanamine, Casein kinase I isoform delta, N-benzyl-4-(pyridin-3-yl)pyrimidin-2-amine, ...
Authors:Liu, S.
Deposit date:2013-04-23
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Ligand-protein interactions of selective casein kinase 1 delta inhibitors.
J.Med.Chem., 56, 2013
7P9Q
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BU of 7p9q by Molmil
Crystal structure of Indole 3-Carboxylic acid decarboxylase from Arthrobacter nicotianae FI1612 in complex with co-factor 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, AnInD, MANGANESE (II) ION, ...
Authors:Gahloth, D, Leys, D.
Deposit date:2021-07-27
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural and biochemical characterization of the prenylated flavin mononucleotide-dependent indole-3-carboxylic acid decarboxylase.
J.Biol.Chem., 298, 2022
5LTE
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BU of 5lte by Molmil
Crystal structure of the alpha subunit of heme dependent oxidative N-demethylase (HODM)
Descriptor: 2-ETHOXYETHANOL, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ...
Authors:Ortmayer, M, Leys, D.
Deposit date:2016-09-06
Release date:2016-11-09
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:An oxidative N-demethylase reveals PAS transition from ubiquitous sensor to enzyme.
Nature, 539, 2016
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
5LTI
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BU of 5lti by Molmil
Crystal structure of the alpha subunit of heme dependent oxidative N-demethylase (HODM) in complex with the dimethylamine substrate
Descriptor: DI(HYDROXYETHYL)ETHER, DIMETHYLAMINE, NITRIC OXIDE, ...
Authors:Ortmayer, M, Leys, D.
Deposit date:2016-09-06
Release date:2016-11-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An oxidative N-demethylase reveals PAS transition from ubiquitous sensor to enzyme.
Nature, 539, 2016
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
5LTH
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BU of 5lth by Molmil
Crystal structure of the alpha subunit of heme dependent oxidative N-demethylase (HODM) in complex with the dimethylamine substrate
Descriptor: DI(HYDROXYETHYL)ETHER, DIMETHYLAMINE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Ortmayer, M, Leys, D.
Deposit date:2016-09-06
Release date:2016-11-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:An oxidative N-demethylase reveals PAS transition from ubiquitous sensor to enzyme.
Nature, 539, 2016
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

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