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4ATY
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BU of 4aty by Molmil
Crystal structure of a Terephthalate 1,2-cis-dihydrodioldehydrogenase from Burkholderia xenovorans LB400
分子名称: BETA-MERCAPTOETHANOL, TEREPHTHALATE 1,2-CIS-DIHYDRODIOL DEHYDROGENASE, ZINC ION
著者Bains, J, Boulanger, M.J.
登録日2012-05-11
公開日2012-08-22
最終更新日2015-04-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Investigating Terephthalate Biodegradation: Structural Characterization of a Putative Decarboxylating Cis-Dihydrodiol Dehydrogenase.
J.Mol.Biol., 423, 2012
2W3P
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BU of 2w3p by Molmil
BoxC crystal structure
分子名称: BENZOYL-COA-DIHYDRODIOL LYASE, BETA-MERCAPTOETHANOL, GLYCEROL
著者Bains, J, Boulanger, M.J.
登録日2008-11-13
公開日2009-04-14
最終更新日2017-07-05
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and Biophysical Characterization of Boxc from Burkholderia Xenovorans Lb400: A Novel Ring-Cleaving Enzyme in the Crotonase Superfamily.
J.Biol.Chem., 284, 2009
2VRO
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BU of 2vro by Molmil
Crystal structure of aldehyde dehydrogenase from Burkholderia xenovorans LB400
分子名称: 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ALDEHYDE DEHYDROGENASE, HEXAETHYLENE GLYCOL, ...
著者Bains, J, Boulanger, M.J.
登録日2008-04-09
公開日2008-04-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and Biochemical Characterization of a Novel Aldehyde Dehydrogenase Encoded by the Benzoate Oxidation (Box) Pathway in Burkholderia Xenovorans Lb400
J.Mol.Biol., 379, 2008
2Y51
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BU of 2y51 by Molmil
Crystal structure of E167A mutant of the box pathway encoded ALDH from Burkholderia xenovorans LB400
分子名称: ALDEHYDE DEHYDROGENASE (BOX PATHWAY), GLYCEROL
著者Bains, J, Leon, R, Temke, K.G, Boulanger, M.J.
登録日2011-01-11
公開日2011-06-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Elucidating the Reaction Mechanism of the Benzoate Oxidation Pathway Encoded Aldehyde Dehydrogenase from Burkholderia Xenovorans Lb400.
Protein Sci., 20, 2011
2XUA
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BU of 2xua by Molmil
Crystal structure of the enol-lactonase from Burkholderia xenovorans LB400
分子名称: 3-OXOADIPATE ENOL-LACTONASE, LAEVULINIC ACID
著者Bains, J, Kaufman, L, Farnell, B, Boulanger, M.J.
登録日2010-10-17
公開日2011-01-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Product Analog Bound Form of 3-Oxoadipate-Enol- Lactonase (Pcad) Reveals a Multifunctional Role for the Divergent CAP Domain.
J.Mol.Biol., 406, 2011
2Y53
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BU of 2y53 by Molmil
Crystal structure of E257Q mutant of the box pathway encoded ALDH from Burkholderia xenovorans LB400
分子名称: ALDEHYDE DEHYDROGENASE (BOX PATHWAY), GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Bains, J, Leon, R, Temke, K.G, Boulanger, M.J.
登録日2011-01-11
公開日2011-06-01
最終更新日2015-10-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Elucidating the Reaction Mechanism of the Benzoate Oxidation Pathway Encoded Aldehyde Dehydrogenase from Burkholderia Xenovorans Lb400.
Protein Sci., 20, 2011
2Y5D
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BU of 2y5d by Molmil
Crystal structure of C296A mutant of the box pathway encoded ALDH from Burkholderia xenovorans LB400
分子名称: ALDEHYDE DEHYDROGENASE (BOX PATHWAY), GLYCEROL, HEXAETHYLENE GLYCOL, ...
著者Bains, J, Leon, R, Temke, K.G, Boulanger, M.J.
登録日2011-01-12
公開日2011-06-01
最終更新日2013-01-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Elucidating the Reaction Mechanism of the Benzoate Oxidation Pathway Encoded Aldehyde Dehydrogenase from Burkholderia Xenovorans Lb400.
Protein Sci., 20, 2011
2Y52
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BU of 2y52 by Molmil
Crystal structure of E496A mutant of the box pathway encoded ALDH from Burkholderia xenovorans LB400
分子名称: ALDEHYDE DEHYDROGENASE (BOX PATHWAY), GLYCEROL
著者Bains, J, Leon, R, Temke, K.G, Boulanger, M.J.
登録日2011-01-11
公開日2011-06-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Elucidating the Reaction Mechanism of the Benzoate Oxidation Pathway Encoded Aldehyde Dehydrogenase from Burkholderia Xenovorans Lb400.
Protein Sci., 20, 2011
2V7B
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BU of 2v7b by Molmil
Crystal structures of a benzoate CoA ligase from Burkholderia xenovorans LB400
分子名称: BENZOATE-COENZYME A LIGASE, BENZOIC ACID
著者J Boulanger, M, Bains, J.
登録日2007-07-27
公開日2007-10-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Biochemical and Structural Characterization of the Paralogous Benzoate Coa Ligases from Burkholderia Xenovorans Lb400: Defining the Entry Point Into the Novel Benzoate Oxidation (Box) Pathway.
J.Mol.Biol., 373, 2007
3JPV
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BU of 3jpv by Molmil
Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a pyrrolo[2,3-a]carbazole ligand
分子名称: 1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde, Peptide (PIMTIDE) ARKRRRHPSGPPTA, Proto-oncogene serine/threonine-protein kinase Pim-1
著者Filippakopoulos, P, Bullock, A.N, Fedorov, O, Akue-Gedu, R, Rossignol, E, Azzaro, S, Bain, J, Cohen, P, Prudhomme, M, Moreau, P, Amizon, F, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2009-09-04
公開日2009-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Synthesis, kinase inhibitory potencies, and in vitro antiproliferative evaluation of new pim kinase inhibitors.
J.Med.Chem., 52, 2009
1UU8
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BU of 1uu8 by Molmil
Structure of human PDK1 kinase domain in complex with BIM-1
分子名称: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, GLYCEROL, ...
著者Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F.
登録日2003-12-16
公開日2004-03-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
1UVR
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BU of 1uvr by Molmil
Structure of human PDK1 kinase domain in complex with BIM-8
分子名称: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, GLYCEROL, ...
著者Komander, D, Garrido-Franco, M, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F.
登録日2004-01-22
公開日2004-03-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
1UU7
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BU of 1uu7 by Molmil
Structure of human PDK1 kinase domain in complex with BIM-2
分子名称: 3-(1H-INDOL-3-YL)-4-(1-{2-[(2S)-1-METHYLPYRROLIDINYL]ETHYL}-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, ...
著者Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F.
登録日2003-12-16
公開日2004-03-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
1UU3
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BU of 1uu3 by Molmil
Structure of human PDK1 kinase domain in complex with LY333531
分子名称: (9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA ZACYCLOHEXADECINE-18,20-DIONE, 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, ...
著者Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F.
登録日2003-12-15
公開日2004-03-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
1UU9
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BU of 1uu9 by Molmil
Structure of human PDK1 kinase domain in complex with BIM-3
分子名称: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, GLYCEROL, ...
著者Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F.
登録日2003-12-16
公開日2004-03-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
1OM1
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BU of 1om1 by Molmil
Crystal structure of maize CK2 alpha in complex with IQA
分子名称: (5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-7-YL)-ACETIC ACID, Casein kinase II, alpha chain
著者Battistutta, R, De Moliner, E, Zanotti, G.
登録日2003-02-24
公開日2004-02-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Biochemical and three-dimensional-structural study of the specific inhibition of protein kinase CK2 by [5-oxo-5,6-dihydroindolo-(1,2-a)quinazolin-7-yl]acetic acid (IQA).
Biochem.J., 374, 2003
3PVG
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BU of 3pvg by Molmil
Crystal structure of Z. mays CK2 alpha subunit in complex with the inhibitor 4,5,6,7-tetrabromo-1-carboxymethylbenzimidazole (K68)
分子名称: (4,5,6,7-tetrabromo-1H-benzimidazol-1-yl)acetic acid, Casein kinase II subunit alpha
著者Papinutto, E, Franchin, C, Battistutta, R.
登録日2010-12-07
公開日2010-12-15
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
1OKY
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BU of 1oky by Molmil
Structure of human PDK1 kinase domain in complex with staurosporine
分子名称: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE 1, GLYCEROL, STAUROSPORINE, ...
著者Komander, D, Kular, G.S, Alessi, D.R, Van Aalten, D.M.F.
登録日2003-08-01
公開日2004-07-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis for Ucn-01 (7-Hydroxystaurosporine) Specificity and Pdk1 (3-Phosphoinositide-Dependent Protein Kinase-1) Inhibition
Biochem.J., 375, 2003
1OKZ
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BU of 1okz by Molmil
Structure of human PDK1 kinase domain in complex with UCN-01
分子名称: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE 1, 7-HYDROXYSTAUROSPORINE, GLYCEROL, ...
著者Komander, D, Kular, G.S, Alessi, D.R, Van Aalten, D.M.F.
登録日2003-08-01
公開日2004-07-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structural Basis for Ucn-01 (7-Hydroxystaurosporine) Specificity and Pdk1 (3-Phosphoinositide-Dependent Protein Kinase-1) Inhibition
Biochem.J., 375, 2003
3FL5
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BU of 3fl5 by Molmil
Protein kinase CK2 in complex with the inhibitor Quinalizarin
分子名称: 1,2,5,8-tetrahydroxyanthracene-9,10-dione, Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER
著者Mazzorana, M, Franchin, C, Battistutta, R.
登録日2008-12-18
公開日2009-08-18
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Quinalizarin as a potent, selective and cell-permeable inhibitor of protein kinase CK2
Biochem.J., 421, 2009
3KXH
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BU of 3kxh by Molmil
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor (2-dymethylammino-4,5,6,7-tetrabromobenzoimidazol-1yl-acetic acid (K66)
分子名称: Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, [4,5,6,7-tetrabromo-2-(dimethylamino)-1H-benzimidazol-1-yl]acetic acid
著者Papinutto, E, Franchin, C, Battistutta, R.
登録日2009-12-03
公開日2010-11-17
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
3KXN
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BU of 3kxn by Molmil
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor tetraiodobenzimidazole (K88)
分子名称: 4,5,6,7-tetraiodo-1H-benzimidazole, Casein kinase II subunit alpha
著者Papinutto, E, Franchin, C, Battistutta, R.
登録日2009-12-03
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
3KXM
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BU of 3kxm by Molmil
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor K74
分子名称: Casein kinase II subunit alpha, N-methyl-2-[(4,5,6,7-tetrabromo-1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
著者Papinutto, E, Franchin, C, Battistutta, R.
登録日2009-12-03
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
3KXG
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Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor 3,4,5,6,7-pentabromo-1H-indazole (K64)
分子名称: 3,4,5,6,7-pentabromo-1H-indazole, Casein kinase II subunit alpha
著者Papinutto, E, Franchin, C, Battistutta, R.
登録日2009-12-03
公開日2010-11-17
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
3PE1
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BU of 3pe1 by Molmil
Crystal structure of human protein kinase CK2 alpha subunit in complex with the inhibitor CX-4945
分子名称: 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION
著者Battistutta, R, Papinutto, E, Lolli, G, Pierre, F, Haddach, M, Ryckman, D.M.
登録日2010-10-25
公開日2011-09-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Unprecedented selectivity and structural determinants of a new class of protein kinase CK2 inhibitors in clinical trials for the treatment of cancer.
Biochemistry, 50, 2011

 

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