2WG8
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![BU of 2wg8 by Molmil](/molmil-images/mine/2wg8) | Structure of Oryza Sativa (Rice) PLA2, orthorhombic crystal form | Descriptor: | CALCIUM ION, PUTATIVE PHOSPHOLIPASE A2, SODIUM ION | Authors: | Guy, J.E, Stahl, U, Lindqvist, Y. | Deposit date: | 2009-04-16 | Release date: | 2009-06-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of a Class Xib Phospholipase A2 (Pla2): Rice (Oryza Sativa) Isoform-2 Pla2 and an Octanoate Complex. J.Biol.Chem., 284, 2009
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2WG9
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![BU of 2wg9 by Molmil](/molmil-images/mine/2wg9) | Structure of Oryza Sativa (Rice) PLA2, complex with octanoic acid | Descriptor: | CALCIUM ION, OCTANOIC ACID (CAPRYLIC ACID), PUTATIVE PHOSPHOLIPASE A2, ... | Authors: | Guy, J.E, Stahl, U, Lindqvist, Y. | Deposit date: | 2009-04-16 | Release date: | 2009-06-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of a Class Xib Phospholipase A2 (Pla2): Rice (Oryza Sativa) Isoform-2 Pla2 and an Octanoate Complex. J.Biol.Chem., 284, 2009
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2W1H
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![BU of 2w1h by Molmil](/molmil-images/mine/2w1h) | Fragment-Based Discovery of the Pyrazol-4-yl urea (AT9283), a Multi- targeted Kinase Inhibitor with Potent Aurora Kinase Activity | Descriptor: | CELL DIVISION PROTEIN KINASE 2, N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | Deposit date: | 2008-10-17 | Release date: | 2009-01-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity. J.Med.Chem., 52, 2009
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2VD8
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![BU of 2vd8 by Molmil](/molmil-images/mine/2vd8) | The crystal structure of alanine racemase from Bacillus anthracis (BA0252) | Descriptor: | ALANINE RACEMASE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Au, K, Ren, J, Walter, T.S, Harlos, K, Nettleship, J.E, Owens, R.J, Stuart, D.I, Esnouf, R.M, Oxford Protein Production Facility (OPPF), Structural Proteomics in Europe (SPINE) | Deposit date: | 2007-10-01 | Release date: | 2008-05-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structures of an Alanine Racemase from Bacillus Anthracis (Ba0252) in the Presence and Absence of (R)-1-Aminoethylphosphonic Acid (L-Ala-P). Acta Crystallogr.,Sect.F, 64, 2008
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2VJ4
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![BU of 2vj4 by Molmil](/molmil-images/mine/2vj4) | Methylated Shigella flexneri MxiC | Descriptor: | PROTEIN MXIC | Authors: | Deane, J.E, Roversi, P, King, C, Johnson, S, Lea, S.M. | Deposit date: | 2007-12-06 | Release date: | 2008-03-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of the Shigella Flexneri Type 3 Secretion System Protein Mxic Reveal Conformational Variability Amongst Homologues. J.Mol.Biol., 377, 2008
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2UWD
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![BU of 2uwd by Molmil](/molmil-images/mine/2uwd) | Inhibition of the HSP90 molecular chaperone in vitro and in vivo by novel, synthetic, potent resorcinylic pyrazole, isoxazole amide analogs | Descriptor: | 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)ISOXAZOLE-3-CARBOXAMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION, ... | Authors: | Sharp, S.Y, Prodromou, C, Boxall, K, Powers, M.V, Holmes, J.L, Box, G, Matthews, T.P, Cheung, K.M, Kalusa, A, James, K, Hayes, A, Hardcastle, A, Dymock, B, Brough, P.A, Barril, X, Cansfield, J.E, Wright, L.M, Surgenor, A, Foloppe, N, Aherne, W, Pearl, L, Jones, K, McDonald, E, Raynaud, F, Eccles, S, Drysdale, M, Workman, P. | Deposit date: | 2007-03-20 | Release date: | 2007-04-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inhibition of the heat shock protein 90 molecular chaperone in vitro and in vivo by novel, synthetic, potent resorcinylic pyrazole/isoxazole amide analogues. Mol. Cancer Ther., 6, 2007
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6ZQM
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![BU of 6zqm by Molmil](/molmil-images/mine/6zqm) | bovine ATP synthase monomer state 2 (combined) | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Spikes, T.E, Montgomery, M.G, Walker, J.E. | Deposit date: | 2020-07-10 | Release date: | 2020-09-09 | Last modified: | 2020-09-30 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Structure of the dimeric ATP synthase from bovine mitochondria. Proc.Natl.Acad.Sci.USA, 117, 2020
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2UVD
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![BU of 2uvd by Molmil](/molmil-images/mine/2uvd) | The crystal structure of a 3-oxoacyl-(acyl carrier protein) reductase from Bacillus anthracis (BA3989) | Descriptor: | 3-OXOACYL-(ACYL-CARRIER-PROTEIN) REDUCTASE | Authors: | Zaccai, N.R, Carter, L.G, Berrow, N.S, Sainsbury, S, Nettleship, J.E, Walter, T.S, Harlos, K, Owens, R.J, Wilson, K.S, Stuart, D.I, Esnouf, R.M, Oxford Protein Production Facility (OPPF), Structural Proteomics in Europe (SPINE) | Deposit date: | 2007-03-09 | Release date: | 2007-04-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of a 3-Oxoacyl-(Acylcarrier Protein) Reductase (Ba3989) from Bacillus Anthracis at 2.4-A Resolution. Proteins: Struct., Funct., Bioinf., 70, 2008
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2UZS
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![BU of 2uzs by Molmil](/molmil-images/mine/2uzs) | A transforming mutation in the pleckstrin homology domain of AKT1 in cancer (AKT1-PH_E17K) | Descriptor: | INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, RAC-alpha serine/threonine-protein kinase | Authors: | Carpten, J.D, Faber, A.L, Horn, C, Donoho, G.P, Briggs, S.L, Robbins, C.M, Hostetter, G, Boguslawski, S, Moses, T.Y, Savage, S, Uhlik, M, Lin, A, Du, J, Qian, Y.W, Zeckner, D.J, Tucker-Kellogg, G, Touchman, J, Patel, K, Mousses, S, Bittner, M, Schevitz, R, Lai, M.H, Blanchard, K.L, Thomas, J.E. | Deposit date: | 2007-05-01 | Release date: | 2007-07-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | A transforming mutation in the pleckstrin homology domain of AKT1 in cancer. Nature, 448, 2007
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2VG9
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![BU of 2vg9 by Molmil](/molmil-images/mine/2vg9) | Crystal structure of Loop Swap mutant of Necallimastix patriciarum Xyn11A | Descriptor: | ACETATE ION, BIFUNCTIONAL ENDO-1,4-BETA-XYLANASE A, CADMIUM ION | Authors: | Vardakou, M, Dumon, C, Flint, J.E, Murray, J.W, Christakopoulos, P, Weiner, D.P, Juge, N, Lewis, R.J, Gilbert, H.J. | Deposit date: | 2007-11-09 | Release date: | 2007-12-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Understanding the Structural Basis for Substrate and Inhibitor Recognition in Eukaryotic Gh11 Xylanases. J.Mol.Biol., 375, 2008
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2UW1
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![BU of 2uw1 by Molmil](/molmil-images/mine/2uw1) | Ivy Desaturase Structure | Descriptor: | (3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACID, FE (III) ION, PLASTID DELTA4 MULTIFUNCTIONAL ACYL-ACYL CARRIER PROTEIN DESATURASE, ... | Authors: | Guy, J.E, Whittle, E, Kumaran, D, Lindqvist, Y, Shanklin, J. | Deposit date: | 2007-03-15 | Release date: | 2007-05-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Crystal Structure of the Ivy {Delta}4-16:0-Acp Desaturase Reveals Structural Details of the Oxidized Active Site and Potential Determinants of Regioselectivity. J.Biol.Chem., 282, 2007
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5TTZ
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![BU of 5ttz by Molmil](/molmil-images/mine/5ttz) | |
2VIP
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![BU of 2vip by Molmil](/molmil-images/mine/2vip) | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator | Descriptor: | 4-(2-AMINOETHOXY)-3,5-DICHLORO-N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE, ACETATE ION, SULFATE ION, ... | Authors: | Frederickson, M, Callaghan, O, Chessari, G, Congreve, M, Cowan, S.R, Matthews, J.E, McMenamin, R, Smith, D, Vinkovic, M, Wallis, N.G. | Deposit date: | 2007-12-05 | Release date: | 2008-01-22 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator J.Med.Chem., 51, 2008
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2VIW
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![BU of 2viw by Molmil](/molmil-images/mine/2viw) | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator | Descriptor: | 4-(2-aminoethoxy)-N-(3-chloro-2-ethoxy-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide, ACETATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B | Authors: | Frederickson, M, Callaghan, O, Chessari, G, Congreve, M, Cowan, S.R, Matthews, J.E, McMenamin, R, Smith, D, Vinkovic, M, Wallis, N.G. | Deposit date: | 2007-12-05 | Release date: | 2008-01-22 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator. J.Med.Chem., 51, 2008
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2VJ5
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![BU of 2vj5 by Molmil](/molmil-images/mine/2vj5) | Shigella flexneri MxiC | Descriptor: | PROTEIN MXIC | Authors: | Deane, J.E, Roversi, P, King, C, Johnson, S, Lea, S.M. | Deposit date: | 2007-12-06 | Release date: | 2008-03-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of the Shigella Flexneri Type 3 Secretion System Protein Mxic Reveal Conformational Variability Amongst Homologues. J.Mol.Biol., 377, 2008
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2VIV
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![BU of 2viv by Molmil](/molmil-images/mine/2viv) | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator | Descriptor: | 4-(2-aminoethoxy)-N-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide, ACETATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B | Authors: | Frederickson, M, Callaghan, O, Chessari, G, Congreve, M, Cowan, S.R, Matthews, J.E, McMenamin, R, Smith, D, Vinkovic, M, Wallis, N.G. | Deposit date: | 2007-12-05 | Release date: | 2008-01-22 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator. J.Med.Chem., 51, 2008
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2V7Q
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![BU of 2v7q by Molmil](/molmil-images/mine/2v7q) | The structure of F1-ATPase inhibited by I1-60HIS, a monomeric form of the inhibitor protein, IF1. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP SYNTHASE DELTA CHAIN, ... | Authors: | Gledhill, J.R, Montgomery, M.G, Leslie, A.G.W, Walker, J.E. | Deposit date: | 2007-07-31 | Release date: | 2007-09-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | How the Regulatory Protein, If1, Inhibits F1- ATPase from Bovine Mitochondria. Proc.Natl.Acad.Sci.USA, 104, 2007
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2WHM
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![BU of 2whm by Molmil](/molmil-images/mine/2whm) | Cellvibrio japonicus Man26A E121A and E320G double mutant in complex with mannobiose | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ENDO-1,4-BETA MANNANASE, MAN26A, ... | Authors: | Durcos, V.M.A, Davies, G.J, Flint, J.E, Gilbert, H.J. | Deposit date: | 2009-05-05 | Release date: | 2009-05-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Understanding How Diverse -Mannanases Recognise Heterogeneous Substrates. Biochemistry, 48, 2009
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2WO2
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![BU of 2wo2 by Molmil](/molmil-images/mine/2wo2) | Crystal Structure of the EphA4-ephrinB2 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, EPHRIN TYPE-A RECEPTOR, EPHRIN-B2 | Authors: | Bowden, T.A, Aricescu, A.R, Nettleship, J.E, Siebold, C, Rahman-Huq, N, Owens, R.J, Stuart, D.I, Jones, E.Y. | Deposit date: | 2009-07-21 | Release date: | 2009-10-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural Plasticity of Eph-Receptor A4 Facilitates Cross-Class Ephrin Signalling Structure, 17, 2009
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2W99
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![BU of 2w99 by Molmil](/molmil-images/mine/2w99) | Crystal Structure of CDK4 in complex with a D-type cyclin | Descriptor: | CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1 | Authors: | Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H. | Deposit date: | 2009-01-22 | Release date: | 2009-03-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin. Proc.Natl.Acad.Sci.USA, 106, 2009
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2W1D
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![BU of 2w1d by Molmil](/molmil-images/mine/2w1d) | Structure determination of Aurora Kinase in complex with inhibitor | Descriptor: | 2-(1H-pyrazol-3-yl)-1H-benzimidazole, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | Deposit date: | 2008-10-17 | Release date: | 2009-01-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity. J.Med.Chem., 52, 2009
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2W3Z
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![BU of 2w3z by Molmil](/molmil-images/mine/2w3z) | Structure of a Streptococcus mutans CE4 esterase | Descriptor: | PHOSPHATE ION, PUTATIVE DEACETYLASE, ZINC ION | Authors: | Deng, D.M, Urch, J.E, ten Cate, J.M, Rao, V.A, van Aalten, D.M.F, Crielaard, W. | Deposit date: | 2008-11-17 | Release date: | 2008-12-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Streptococcus Mutans Smu.623C Codes for a Functional, Metal Dependent Polysaccharide Deacetylase that Modulates Interactions with Salivary Agglutinin. J.Bacteriol., 191, 2009
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2W47
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![BU of 2w47 by Molmil](/molmil-images/mine/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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2W87
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![BU of 2w87 by Molmil](/molmil-images/mine/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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2VUJ
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![BU of 2vuj by Molmil](/molmil-images/mine/2vuj) | Environmentally isolated GH11 xylanase | Descriptor: | GH11 XYLANASE, GLYCEROL | Authors: | Dumon, C, Varvak, A, Wall, M.A, Flint, J.E, Lewis, R.J, Lakey, J.H, Luginbuhl, P, Healey, S, Todaro, T, DeSantis, G, Sun, M, Parra-Gessert, L, Tan, X, Weiner, D.P, Gilbert, H.J. | Deposit date: | 2008-05-26 | Release date: | 2008-06-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Engineering Hyperthermostability Into a Gh11 Xylanase is Mediated by Subtle Changes to Protein Structure. J.Biol.Chem., 283, 2008
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