2WF6
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![BU of 2wf6 by Molmil](/molmil-images/mine/2wf6) | Structure of Beta-Phosphoglucomutase inhibited with Glucose-6-phosphate and Aluminium tetrafluoride | Descriptor: | 6-O-phosphono-beta-D-glucopyranose, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ... | Authors: | Bowler, M.W, Baxter, N.J, Webster, C.E, Pollard, S, Alizadeh, T, Hounslow, A.M, Cliff, M.J, Bermel, W, Williams, N.H, Hollfelder, F, Blackburn, G.M, Waltho, J.P. | Deposit date: | 2009-04-03 | Release date: | 2010-05-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Atomic details of near-transition state conformers for enzyme phosphoryl transfer revealed by MgF-3 rather than by phosphoranes. Proc. Natl. Acad. Sci. U.S.A., 107, 2010
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2WF5
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![BU of 2wf5 by Molmil](/molmil-images/mine/2wf5) | Structure of Beta-Phosphoglucomutase inhibited with Glucose-6-phosphate and trifluoromagnesate | Descriptor: | 6-O-phosphono-beta-D-glucopyranose, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ... | Authors: | Bowler, M.W, Baxter, N.J, Webster, C.E, Hounslow, A.M, Cliff, M.J, Williams, N.H, Hollfelder, F, Gamblin, S, Blackburn, G.M, Waltho, J.P. | Deposit date: | 2009-04-03 | Release date: | 2009-09-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Atomic details of near-transition state conformers for enzyme phosphoryl transfer revealed by MgF-3 rather than by phosphoranes. Proc. Natl. Acad. Sci. U.S.A., 107, 2010
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2UYN
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![BU of 2uyn by Molmil](/molmil-images/mine/2uyn) | Crystal structure of E. coli TdcF with bound 2-ketobutyrate | Descriptor: | 2-KETOBUTYRIC ACID, PROTEIN TDCF | Authors: | Burman, J.D, Stevenson, C.E.M, Sawers, R.G, Lawson, D.M. | Deposit date: | 2007-04-11 | Release date: | 2007-05-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Crystal Structure of Escherichia Coli Tdcf, a Member of the Highly Conserved Yjgf/Yer057C/Uk114 Family. Bmc Struct.Biol., 7, 2007
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5O98
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![BU of 5o98 by Molmil](/molmil-images/mine/5o98) | Binary complex of Catharanthus roseus Vitrosamine Synthase with NADP+ | Descriptor: | Alcohol dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Stavrinides, A.K, Tatsis, E.C, Dang, T.T, Caputi, L, Stevenson, C.E.M, Lawson, D.M, Schneider, B, O'Connor, S.E. | Deposit date: | 2017-06-16 | Release date: | 2018-02-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of a Short-Chain Dehydrogenase from Catharanthus roseus that Produces a New Monoterpene Indole Alkaloid. Chembiochem, 19, 2018
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5NZ8
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![BU of 5nz8 by Molmil](/molmil-images/mine/5nz8) | Clostridium thermocellum cellodextrin phosphorylase with cellotetraose and phosphate bound | Descriptor: | Cellodextrin phosphorylase, PHOSPHATE ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | O'Neill, E.C, Pergolizzi, G, Stevenson, C.E.M, Lawson, D.M, Nepogodiev, S.A, Field, R.A. | Deposit date: | 2017-05-12 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Cellodextrin phosphorylase from Ruminiclostridium thermocellum: X-ray crystal structure and substrate specificity analysis. Carbohydr. Res., 451, 2017
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2V23
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![BU of 2v23 by Molmil](/molmil-images/mine/2v23) | Structure of cytochrome c peroxidase mutant N184R Y36A | Descriptor: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Metcalfe, C.L, Macdonald, I.K, Brown, K.A, Raven, E.L, Moody, P.C.E. | Deposit date: | 2007-05-31 | Release date: | 2007-12-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Tuberculosis Prodrug Isoniazid Bound to Activating Peroxidases. J.Biol.Chem., 283, 2008
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2VCS
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![BU of 2vcs by Molmil](/molmil-images/mine/2vcs) | Structure of isoniazid (INH) bound to cytosolic soybean ascorbate peroxidase mutant H42A | Descriptor: | 4-(DIAZENYLCARBONYL)PYRIDINE, ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Metcalfe, C.L, Macdonald, I.K, Brown, K.A, Raven, E.L, Moody, P.C.E. | Deposit date: | 2007-09-26 | Release date: | 2007-12-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | The Tuberculosis Prodrug Isoniazid Bound to Activating Peroxidases. J.Biol.Chem., 283, 2008
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2X08
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![BU of 2x08 by Molmil](/molmil-images/mine/2x08) | cytochrome c peroxidase: ascorbate bound to the engineered ascorbate binding site | Descriptor: | ASCORBIC ACID, CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, ... | Authors: | Murphy, E.J, Metcalfe, C.L, Gumiero, A, Raven, E.L, Moody, P.C.E. | Deposit date: | 2009-12-07 | Release date: | 2010-11-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Engineering the substrate specificity and reactivity of a heme protein: creation of an ascorbate binding site in cytochrome c peroxidase. Biochemistry, 47, 2008
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2WTI
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![BU of 2wti by Molmil](/molmil-images/mine/2wti) | CRYSTAL STRUCTURE OF CHK2 IN COMPLEX WITH AN INHIBITOR | Descriptor: | 1,2-ETHANEDIOL, 4-[2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)PYRIDIN-3-YL]BENZAMIDE, CHECKPOINT KINASE 2, ... | Authors: | Hilton, S, Naud, S, Caldwell, J.J, Boxall, K, Burns, S, Anderson, V.E, Antoni, L, Allen, C.E, Pearl, L.H, Oliver, A.W, Aherne, G.W, Garrett, M.D, Collins, I. | Deposit date: | 2009-09-16 | Release date: | 2009-12-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification and Characterisation of 2-Aminopyridine Inhibitors of Checkpoint Kinase 2 Bioorg.Med.Chem., 18, 2010
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2WGQ
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2WTJ
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![BU of 2wtj by Molmil](/molmil-images/mine/2wtj) | CRYSTAL STRUCTURE OF CHK2 IN COMPLEX WITH AN INHIBITOR | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)-N-[2-(DIMETHYLAMINO)ETHYL]PYRIDINE-3-CARBOXAMIDE, CHECKPOINT KINASE 2, ... | Authors: | Hilton, S, Naud, S, Caldwell, J.J, Boxall, K, Burns, S, Anderson, V.E, Antoni, L, Allen, C.E, Pearl, L.H, Oliver, A.W, Aherne, G.W, Garrett, M.D, Collins, I. | Deposit date: | 2009-09-16 | Release date: | 2009-12-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification and Characterisation of 2-Aminopyridine Inhibitors of Checkpoint Kinase 2 Bioorg.Med.Chem., 18, 2010
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2WWO
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![BU of 2wwo by Molmil](/molmil-images/mine/2wwo) | Yersinia pseudotuberculosis Superoxide Dismutase C | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, SUPEROXIDE DISMUTASE [CU-ZN], ... | Authors: | Basak, A.K, Duffield, M.L, Naylor, C.E, Huyet, J, Titball, R.W. | Deposit date: | 2009-10-26 | Release date: | 2010-11-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of the Yersinia Pseudotuberculosis Superoxide Dismutase (Sodc) To be Published
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2WSH
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![BU of 2wsh by Molmil](/molmil-images/mine/2wsh) | Structure of bacteriophage T4 EndoII E118A mutant | Descriptor: | DI(HYDROXYETHYL)ETHER, ENDONUCLEASE II, PHOSPHATE ION | Authors: | Andersson, C.E, Lagerback, P, Carlson, K. | Deposit date: | 2009-09-07 | Release date: | 2010-03-02 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of Bacteriophage T4 Endonuclease II Mutant E118A, a Tetrameric Giy-Yig Enzyme. J.Mol.Biol., 397, 2010
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2WJ5
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![BU of 2wj5 by Molmil](/molmil-images/mine/2wj5) | Rat alpha crystallin domain | Descriptor: | HEAT SHOCK PROTEIN BETA-6 | Authors: | Naylor, C.E, Bagneris, C, Bateman, O.A, Cronin, N, Keep, N.H, Slingsby, C. | Deposit date: | 2009-05-22 | Release date: | 2009-08-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Crystal Structures of Alpha-Crystallin Domain Dimers of Alphab-Crystallin and Hsp20. J.Mol.Biol., 392, 2009
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5O90
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![BU of 5o90 by Molmil](/molmil-images/mine/5o90) | Crystal structure of a P38alpha T185G mutant in complex with TAB1 peptide. | Descriptor: | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, Mitogen-activated protein kinase 14, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 | Authors: | Nichols, C.E, De Nicola, G.F, Thapa, D. | Deposit date: | 2017-06-15 | Release date: | 2018-01-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | TAB1-Induced Autoactivation of p38 alpha Mitogen-Activated Protein Kinase Is Crucially Dependent on Threonine 185. Mol. Cell. Biol., 38, 2018
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2VCF
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![BU of 2vcf by Molmil](/molmil-images/mine/2vcf) | Structure of isoniazid (INH) bound to cytosolic soybean ascorbate peroxidase | Descriptor: | 4-(DIAZENYLCARBONYL)PYRIDINE, ASCORBATE PEROXIDASE FROM SOYBEAN CYTOSOL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Metcalfe, C.L, Macdonald, I.K, Brown, K.A, Raven, E.L, Moody, P.C.E. | Deposit date: | 2007-09-21 | Release date: | 2007-12-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Tuberculosis Prodrug Isoniazid Bound to Activating Peroxidases. J.Biol.Chem., 283, 2008
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5OCT
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![BU of 5oct by Molmil](/molmil-images/mine/5oct) | Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method. | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GTPase KRas, ... | Authors: | Cruz-Migoni, A, Ehebauer, M.T, Phillips, S.E.V, Quevedo, C.E, Rabbitts, T.H. | Deposit date: | 2017-07-03 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment. Nat Commun, 9, 2018
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2UYJ
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![BU of 2uyj by Molmil](/molmil-images/mine/2uyj) | Crystal structure of E. coli TdcF with bound ethylene glycol | Descriptor: | 1,2-ETHANEDIOL, PROTEIN TDCF | Authors: | Burman, J.D, Stevenson, C.E.M, Sawers, R.G, Lawson, D.M. | Deposit date: | 2007-04-10 | Release date: | 2007-05-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The Crystal Structure of Escherichia Coli Tdcf, a Member of the Highly Conserved Yjgf/Yer057C/Uk114 Family. Bmc Struct.Biol., 7, 2007
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2UYP
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![BU of 2uyp by Molmil](/molmil-images/mine/2uyp) | Crystal structure of E. coli TdcF with bound propionate | Descriptor: | PROPANOIC ACID, PROTEIN TDCF | Authors: | Burman, J.D, Stevenson, C.E.M, Sawers, R.G, Lawson, D.M. | Deposit date: | 2007-04-11 | Release date: | 2007-05-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | The Crystal Structure of Escherichia Coli Tdcf, a Member of the Highly Conserved Yjgf/Yer057C/Uk114 Family. Bmc Struct.Biol., 7, 2007
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2UYA
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![BU of 2uya by Molmil](/molmil-images/mine/2uya) | DEL162-163 mutant of Bacillus subtilis Oxalate Decarboxylase OxdC | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Just, V.J, Burrell, M.R, Bowater, L, McRobbie, I, Stevenson, C.E.M, Lawson, D.M, Bornemann, S. | Deposit date: | 2007-04-03 | Release date: | 2007-08-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Identity of the Active Site of Oxalate Decarboxylase and the Importance of the Stability of Active-Site Lid Conformations. Biochem.J., 407, 2007
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2UYB
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![BU of 2uyb by Molmil](/molmil-images/mine/2uyb) | S161A mutant of Bacillus subtilis Oxalate Decarboxylase OxdC | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, MANGANESE (II) ION, ... | Authors: | Just, V.J, Burrell, M.R, Bowater, L, McRobbie, I, Stevenson, C.E.M, Lawson, D.M, Bornemann, S. | Deposit date: | 2007-04-03 | Release date: | 2007-08-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Identity of the Active Site of Oxalate Decarboxylase and the Importance of the Stability of Active-Site Lid Conformations. Biochem.J., 407, 2007
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2WD4
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![BU of 2wd4 by Molmil](/molmil-images/mine/2wd4) | Ascorbate Peroxidase as a heme oxygenase: w41A variant product with t-butyl peroxide | Descriptor: | 3-[2-[[3-(2-CARBOXYETHYL)-5-[[3-ETHENYL-4-METHYL-5-[(2-METHYLPROPAN-2-YL)OXY]-1H-PYRROL-2-YL]METHYL]-4-METHYL-1H-PYRROL -2-YL]METHYL]-5-[(Z)-(4-ETHENYL-3-METHYL-5-OXO-PYRROL-2-YLIDENE)METHYL]-4-METHYL-1H-PYRROL-3-YL]PROPANOIC ACID, ASCORBATE PEROXIDASE, FE (III) ION, ... | Authors: | Badyal, S.K, Metcalfe, C.L, Gumiero, A, Raven, E.L, Moody, P.C.E. | Deposit date: | 2009-03-19 | Release date: | 2009-04-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Evidence for Heme Oxygenase Activity in a Heme Peroxidase. Biochemistry, 48, 2009
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5OYE
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![BU of 5oye by Molmil](/molmil-images/mine/5oye) | GH5 endo-xyloglucanase from Cellvibrio japonicus | Descriptor: | CHLORIDE ION, Cellulase, putative, ... | Authors: | Attia, M, Nelson, C.E, Offen, W.A, Jain, N, Gardner, J.G, Davies, G.J, Brumer, H. | Deposit date: | 2017-09-08 | Release date: | 2018-02-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | In vitro and in vivo characterization of threeCellvibrio japonicusglycoside hydrolase family 5 members reveals potent xyloglucan backbone-cleaving functions. Biotechnol Biofuels, 11, 2018
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2WHE
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![BU of 2whe by Molmil](/molmil-images/mine/2whe) | Structure of native Beta-Phosphoglucomutase in an open conformation without bound ligands. | Descriptor: | BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION | Authors: | Bowler, M.W, Baxter, N.J, Webster, C.E, Pollard, S, Alizadeh, T, Hounslow, A.M, Cliff, M.J, Bermel, W, Williams, N.H, Hollfelder, F, Blackburn, G.M, Waltho, J.P. | Deposit date: | 2009-05-04 | Release date: | 2009-09-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Atomic Details of Near-Transition State Conformers for Enzyme Phosphoryl Transfer Revealed by Mgf-3 Rather Than by Phosphoranes. Proc.Natl.Acad.Sci.USA, 107, 2010
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2WK1
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![BU of 2wk1 by Molmil](/molmil-images/mine/2wk1) | Structure of the O-methyltransferase NovP | Descriptor: | 1,2-ETHANEDIOL, NOVP, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Gomez Garcia, I, Stevenson, C.E.M, Uson, I, Freel Meyers, C.L, Walsh, C.T, Lawson, D.M. | Deposit date: | 2009-06-03 | Release date: | 2009-12-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Crystal Structure of the Novobiocin Biosynthetic Enzyme Novp: The First Representative Structure for the Tylf O-Methyltransferase Superfamily. J.Mol.Biol., 395, 2010
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