2XEY
 
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | 3-(1H-INDOL-3-YL)-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | | Authors: | Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, van Montfort, R, Garrett, M.D, Reader, J.C, Collins, I. | | Deposit date: | 2010-05-19 | | Release date: | 2010-06-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases.
Bioorg.Med.Chem.Lett., 20, 2010
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2XVG
 | | crystal structure of alpha-xylosidase (GH31) from Cellvibrio japonicus | | Descriptor: | 1,2-ETHANEDIOL, ALPHA XYLOSIDASE, CHLORIDE ION, ... | | Authors: | Larsbrink, J, Izumi, A, Ibatullin, F, Nakhai, A, Gilbert, H.J, Davies, G.J, Brumer, H. | | Deposit date: | 2010-10-26 | | Release date: | 2011-04-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and Enzymatic Characterisation of a Glycoside Hydrolase Family 31 Alpha-Xylosidase from Cellvibrio Japonicus Involved in Xyloglucan Saccharification.
Biochem.J., 436, 2011
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2Y1N
 | | Structure of c-Cbl-ZAP-70 peptide complex | | Descriptor: | CALCIUM ION, E3 UBIQUITIN-PROTEIN LIGASE, TYROSINE-PROTEIN KINASE ZAP-70 ZAP-70,70 KDA ZETA-ASSOCIATED PROTEIN, ... | | Authors: | Dou, H, Sibbet, G.J, Huang, D.T. | | Deposit date: | 2010-12-08 | | Release date: | 2012-01-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Structural Basis for Autoinhibition and Phosphorylation-Dependent Activation of C-Cbl.
Nat.Struct.Mol.Biol., 19, 2012
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3C3W
 | | Crystal Structure of the Mycobacterium tuberculosis Hypoxic Response Regulator DosR | | Descriptor: | SULFATE ION, TWO COMPONENT TRANSCRIPTIONAL REGULATORY PROTEIN DEVR | | Authors: | Wisedchaisri, G, Wu, M, Sherman, D.R, Hol, W.G.J. | | Deposit date: | 2008-01-28 | | Release date: | 2008-04-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of the response regulator DosR from Mycobacterium tuberculosis suggest a helix rearrangement mechanism for phosphorylation activation
J.Mol.Biol., 378, 2008
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2VCE
 | | Characterization and engineering of the bifunctional N- and O- glucosyltransferase involved in xenobiotic metabolism in plants | | Descriptor: | 1,2-ETHANEDIOL, 2,4,5-trichlorophenol, HYDROQUINONE GLUCOSYLTRANSFERASE, ... | | Authors: | Brazier-Hicks, M, Offen, W.A, Gershater, M.C, Revett, T.J, Lim, E.K, Bowles, D.J, Davies, G.J, Edwards, R. | | Deposit date: | 2007-09-20 | | Release date: | 2007-10-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Characterization and Engineering of the Bifunctional N- and O-Glucosyltransferase Involved in Xenobiotic Metabolism in Plants.
Proc.Natl.Acad.Sci.USA, 104, 2007
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3BUE
 | | Crystal structure of the C-terminal domain hexamer of ArgR from Mycobacterium tuberculosis | | Descriptor: | Arginine repressor ArgR | | Authors: | Cherney, L.T, Cherney, M.M, Garen, C.R, Lu, G.J, James, M.N.G, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2008-01-02 | | Release date: | 2008-01-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure of the C-terminal domain of the arginine repressor protein from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 64, 2008
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2VKE
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2VMF
 | | Structural and biochemical evidence for a boat-like transition state in beta-mannosidases | | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, 1,2-ETHANEDIOL, BETA-MANNOSIDASE, ... | | Authors: | Tailford, L.E, Offen, W.A, Smith, N.L, Dumon, C, Moreland, C, Gratien, J, Heck, M.P, Stick, R.V, Bleriot, Y, Vasella, A, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2008-01-25 | | Release date: | 2008-04-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
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2W3T
 | | Chloro complex of the Ni-Form of E.coli deformylase | | Descriptor: | CHLORIDE ION, ETHANOL, NICKEL (II) ION, ... | | Authors: | Ngo, Y.H.T, Palm, G.J, Hinrichs, W. | | Deposit date: | 2008-11-14 | | Release date: | 2009-12-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Structure of the Ni(II) Complex of Escherichia Coli Peptide Deformylase and Suggestions on Deformylase Activities Depending on Different Metal(II) Centres.
J.Biol.Inorg.Chem., 15, 2010
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2VOT
 | | Structural and biochemical evidence for a boat-like transition state in beta-mannosidases | | Descriptor: | (5R,6R,7S,8R)-6,7,8-trihydroxy-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium, 1,2-ETHANEDIOL, BETA-MANNOSIDASE, ... | | Authors: | Tailford, L.N, Offen, W.A, Smith, N, Dumon, C, Moreland, C, Gratien, J, Heck, M.-P, Stick, R.V, Bleriot, Y, Vasella, A, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2008-02-20 | | Release date: | 2008-04-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
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2VX5
 | | CELLVIBRIO JAPONICUS MANNANASE CJMAN26C MANNOSE-BOUND FORM | | Descriptor: | CELLVIBRIO JAPONICUS MANNANASE CJMAN26C, SODIUM ION, beta-D-mannopyranose | | Authors: | Cartmell, A, Topakas, E, Ducros, V.M.-A, Suits, M.D.L, Davies, G.J, Gilbert, H.J. | | Deposit date: | 2008-07-01 | | Release date: | 2008-09-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | The Cellvibrio Japonicus Mannanase Cjman26C Displays a Unique Exo-Mode of Action that is Conferred by Subtle Changes to the Distal Region of the Active Site.
J.Biol.Chem., 283, 2008
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2W4X
 | | BtGH84 in complex with STZ | | Descriptor: | CALCIUM ION, GLYCEROL, O-GLCNACASE BT_4395, ... | | Authors: | He, Y, Bubb, A, Martinez-Fleites, C, Davies, G.J. | | Deposit date: | 2008-12-02 | | Release date: | 2009-02-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structural Insight Into the Mechanism of Streptozotocin Inhibition of O-Glcnacase.
Carbohydr.Res., 344, 2009
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2W47
 | | Clostridium thermocellum CBM35 in complex with delta-4,5- anhydrogalacturonic acid | | Descriptor: | 4-deoxy-beta-L-threo-hex-4-enopyranuronic acid-(1-4)-beta-D-galactopyranuronic acid, CALCIUM ION, LIPOLYTIC ENZYME, ... | | Authors: | Montainer, C, Lammerts van Bueren, A, Dumon, C, Flint, J.E, Correia, M.A, Prates, J.A, Firbank, S.J, Lewis, R.J, Grondin, G.G, Ghinet, M.G, Gloster, T.M, Herve, C, Knox, J.P, Talbot, B.G, Turkenburg, J.P, Kerovuo, J, Brzezinski, R, Fontes, C.M.G.A, Davies, G.J, Boraston, A.B, Gilbert, H.J. | | Deposit date: | 2008-11-21 | | Release date: | 2009-01-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Evidence that Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function.
Proc.Natl.Acad.Sci.USA, 106, 2009
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2VQC
 | | Structure of a DNA binding winged-helix protein, F-112, from Sulfolobus Spindle-shaped Virus 1. | | Descriptor: | HYPOTHETICAL 13.2 KDA PROTEIN | | Authors: | Menon, S.K, Kraft, P, Corn, G.J, Wiedenheft, B, Young, M.J, Lawrence, C.M. | | Deposit date: | 2008-03-12 | | Release date: | 2008-05-06 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Cysteine Usage in Sulfolobus Spindle-Shaped Virus 1 and Extension to Hyperthermophilic Viruses in General.
Virology, 376, 2008
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2WAR
 | | Hen Egg White Lysozyme E35Q chitopentaose complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LYSOZYME C | | Authors: | Davies, G.J, Withers, S.G, Vocadlo, D.J. | | Deposit date: | 2009-02-13 | | Release date: | 2010-02-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Chitopentaose Complex of a Mutant Hen Egg-White Lysozyme Displays No Distortion of the -1 Sugar Away from a 4C1 Chair Conformation
Aust.J.Chem., 62, 2009
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2WBG
 | | Structure of family 1 beta-glucosidase from Thermotoga maritima in complex with 3-imino-2-oxa-(+)-castanospermine | | Descriptor: | (3Z,5S,6R,7S,8R,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol, ACETATE ION, BETA-GLUCOSIDASE A | | Authors: | Aguilar, M, Gloster, T.M, Turkenburg, J.P, Garcia-Moreno, M.I, Ortiz Mellet, C, Davies, G.J, Garcia Fernandez, J.M. | | Deposit date: | 2009-02-27 | | Release date: | 2009-04-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Glycosidase Inhibition by Ring-Modified Castanospermine Analogues: Tackling Enzyme Selectivity by Inhibitor Tailoring.
Org.Biomol.Chem., 7, 2009
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2W87
 | | Xyl-CBM35 in complex with glucuronic acid containing disaccharide. | | Descriptor: | CALCIUM ION, ESTERASE D, UNKNOWN LIGAND, ... | | Authors: | Montainer, C, Bueren, A.L.v, Dumon, C, Flint, J.E, Correia, M.A, Prates, J.A, Firbank, S.J, Lewis, R.J, Grondin, G.G, Ghinet, M.G, Gloster, T.M, Herve, C, Knox, J.P, Talbot, B.G, Turkenburg, J.P, Kerovuo, J, Brzezinski, R, Fontes, C.M.G.A, Davies, G.J, Boraston, A.B, Gilbert, H.J. | | Deposit date: | 2009-01-14 | | Release date: | 2009-01-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Evidence that Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function.
Proc.Natl.Acad.Sci.USA, 106, 2009
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2WBK
 | | Structure of the Michaelis complex of beta-mannosidase, Man2A, provides insight into the conformational itinerary of mannoside hydrolysis | | Descriptor: | 1,2-ETHANEDIOL, 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-mannopyranoside, BETA-MANNOSIDASE, ... | | Authors: | Offen, W.A, Zechel, D.L, Withers, S.G, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2009-03-02 | | Release date: | 2009-03-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the Michaelis Complex of Beta-Mannosidase, Man2A, Provides Insight Into the Conformational Itinerary of Mannoside Hydrolysis.
Cell(Cambridge,Mass.), 18, 2009
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2W67
 | | BtGH84 in complex with FMA34 | | Descriptor: | CALCIUM ION, GLYCEROL, N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide, ... | | Authors: | He, Y, Davies, G.J. | | Deposit date: | 2008-12-17 | | Release date: | 2009-04-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Molecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion.
J.Am.Chem.Soc., 131, 2009
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2XJ7
 | | BtGH84 in complex with 6-acetamido-6-deoxy-castanospermine | | Descriptor: | 6-ACETAMIDO-6-DEOXY-CASTANOSPERMINE, CALCIUM ION, O-GLCNACASE BT_4395 | | Authors: | He, Y, Davies, G.J. | | Deposit date: | 2010-07-02 | | Release date: | 2010-09-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inhibition of O-Glcnacase Using a Potent and Cell-Permeable Inhibitor Does not Induce Insulin Resistance in 3T3-L1 Adipocytes.
Chem.Biol., 17, 2010
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2XF0
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | 1,2-ETHANEDIOL, 3-PHENYL-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | | Authors: | Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, van Montfort, R, Garrett, M.D, Reader, J.C, Collins, I. | | Deposit date: | 2010-05-19 | | Release date: | 2010-06-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases.
Bioorg.Med.Chem.Lett., 20, 2010
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2VVN
 | | BtGH84 in complex with NH-Butylthiazoline | | Descriptor: | (3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL, AMMONIUM ION, GLYCEROL, ... | | Authors: | He, Y, Davies, G.J. | | Deposit date: | 2008-06-10 | | Release date: | 2008-07-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A Potent Mechanism-Inspired O-Glcnacase Inhibitor that Blocks Phosphorylation of Tau in Vivo.
Nat.Chem.Biol., 4, 2008
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2VQT
 | | Structural and biochemical evidence for a boat-like transition state in beta-mannosidases | | Descriptor: | (2Z,3R,4S,5R,6R)-2-[(2-aminoethyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, BETA-MANNOSIDASE, ... | | Authors: | Tailford, L.E, Offen, W.A, Smith, N.L, Dumon, C, Moreland, C, Gratien, J, Heck, M.P, Stick, R.V, Bleriot, Y, Vasella, A, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2008-03-18 | | Release date: | 2008-04-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
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2VVS
 | | BtGH84 structure in complex with PUGNAc | | Descriptor: | O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, O-GLCNACASE BT_4395 | | Authors: | Macauley, M.S, Bubb, A, Martinez-Fleites, C, Davies, G.J, Vocadlo, D.J. | | Deposit date: | 2008-06-11 | | Release date: | 2008-09-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Elevation of Global O-Glcnac Levels in 3T3-L1 Adipocytes by Selective Inhibition of O-Glcnacase Does not Induce Insulin Resistance
J.Biol.Chem., 283, 2008
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3BWB
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