4E3U
 
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2BJY
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5OTY
 | | The crystal structure of CK2alpha in complex with CAM4712 | | Descriptor: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha, ... | | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2017-08-22 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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1YSB
 | | Yeast Cytosine Deaminase Triple Mutant | | Descriptor: | CALCIUM ION, Cytosine deaminase, ZINC ION | | Authors: | Korkegian, A, Black, M.E, Baker, D, Stoddard, B.L. | | Deposit date: | 2005-02-08 | | Release date: | 2005-05-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Computational thermostabilization of an enzyme.
Science, 308, 2005
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2C2U
 | | Dps from Deinococcus radiodurans | | Descriptor: | DNA-BINDING STRESS RESPONSE PROTEIN, FE (III) ION, SULFATE ION, ... | | Authors: | Romao, C.V, Mitchell, E, McSweeney, S. | | Deposit date: | 2005-09-30 | | Release date: | 2006-07-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | The Crystal Structure of Deinococcus Radiodurans Dps Protein (Dr2263) Reveals the Presence of a Novel Metal Centre in the N Terminus.
J.Biol.Inorg.Chem., 11, 2006
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1YSO
 | | YEAST CU, ZN SUPEROXIDE DISMUTASE WITH THE REDUCED BRIDGE BROKEN | | Descriptor: | COPPER (I) ION, YEAST CU, ZN SUPEROXIDE DISMUTASE, ... | | Authors: | Parge, H.E, Crane, B.R, Tsang, J, Tainer, J.A. | | Deposit date: | 1995-12-21 | | Release date: | 1996-06-10 | | Last modified: | 2018-03-21 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Unusual trigonal-planar copper configuration revealed in the atomic structure of yeast copper-zinc superoxide dismutase.
Biochemistry, 35, 1996
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3WLQ
 | | Crystal Structure Analysis of Plant Exohydrolase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-D-glucan exohydrolase isoenzyme ExoI, GLYCEROL | | Authors: | Streltsov, V.A, Luang, S, Hrmova, M. | | Deposit date: | 2013-11-12 | | Release date: | 2015-03-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.
Nat Commun, 10, 2019
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4I06
 | | Crystal structure of human Arginase-2 complexed with inhibitor 14 | | Descriptor: | Arginase-2, mitochondrial, BENZAMIDINE, ... | | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D.L, Golebiowski, A, Ji, M, Zhang, M, Beckett, P, Sheeler, R, Andreoli, M, Conway, B, Mahboubi, K, Schroeter, H, Van Zandt, M.C, Podjarny, A. | | Deposit date: | 2012-11-16 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury.
J.Med.Chem., 56, 2013
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3WC3
 | | Crystal structure of endo-1,4-beta-glucanase from Eisenia fetida | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CITRATE ANION, ... | | Authors: | Arimori, T, Tamada, T. | | Deposit date: | 2013-05-24 | | Release date: | 2013-10-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of endo-1,4-beta-glucanase from Eisenia fetida
J.SYNCHROTRON RADIAT., 20, 2013
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4I4C
 | | Crystal structure of the protein frsA complexed with unknown ligand | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, GLYCEROL, HEXANOIC ACID, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Richards, N, Almo, S.C. | | Deposit date: | 2012-11-27 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Computational, structural, and kinetic evidence that Vibrio vulnificus FrsA is not a cofactor-independent pyruvate decarboxylase.
Biochemistry, 52, 2013
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4E3T
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3WDR
 | | Crystal structure of beta-mannanase from a symbiotic protist of the termite Reticulitermes speratus complexed with gluco-manno-oligosaccharide | | Descriptor: | BICARBONATE ION, Beta-mannanase, MAGNESIUM ION, ... | | Authors: | Tsukagoshi, H, Ishida, T, Touhara, K.K, Igarashi, K, Samejima, M, Fushinobu, S, Kitamoto, K, Arioka, M. | | Deposit date: | 2013-06-20 | | Release date: | 2014-03-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural and Biochemical Analyses of Glycoside Hydrolase Family 26 beta-Mannanase from a Symbiotic Protist of the Termite Reticulitermes speratus
J.Biol.Chem., 289, 2014
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4I6A
 | | 3-hydroxy-3-methylglutaryl (HMG) Coenzyme A reductase from Pseudomonas mevalonii complexed with HMG-CoA | | Descriptor: | 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | | Authors: | Steussy, C.N, Stauffacher, C.V, Schmidt, T, Burgner II, J.W, Rodwell, V.W, Wrensford, L.V, Critchelow, C.J, Min, J. | | Deposit date: | 2012-11-29 | | Release date: | 2013-07-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A Novel Role for Coenzyme A during Hydride Transfer in 3-Hydroxy-3-methylglutaryl-coenzyme A Reductase.
Biochemistry, 52, 2013
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1YLR
 | | The structure of E.coli nitroreductase with bound acetate, crystal form 1 | | Descriptor: | ACETATE ION, FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | | Authors: | Race, P.R, Lovering, A.L, Green, R.M, Ossor, A, White, S.A, Searle, P.F, Wrighton, C.J, Hyde, E.I. | | Deposit date: | 2005-01-19 | | Release date: | 2005-02-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and mechanistic studies of Escherichia coli nitroreductase with the antibiotic nitrofurazone. Reversed binding orientations in different redox states of the enzyme.
J.Biol.Chem., 280, 2005
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4E2P
 | | Crystal Structure of a Post-tailoring Hydroxylase (HmtN) Involved in the Himastatin Biosynthesis | | Descriptor: | Cytochrome P450 107B1 (P450CVIIB1), MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Zhang, H.D, Chen, J, Wang, H, Huang, L, Zhang, H.J. | | Deposit date: | 2012-03-09 | | Release date: | 2013-03-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Crystal Structure of a Post-tailoring Hydroxylase (HmtN) Involved in the Himastatin Biosynthesis
To be Published
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4I7M
 | | T4 Lysozyme L99A/M102H with 2-allylphenol bound | | Descriptor: | 2-ALLYLPHENOL, 2-HYDROXYETHYL DISULFIDE, ACETATE ION, ... | | Authors: | Merski, M, Shoichet, B.K. | | Deposit date: | 2012-11-30 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
J.Med.Chem., 56, 2013
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3WFL
 | | Crtstal structure of glycoside hydrolase family 5 beta-mannanase from Talaromyces trachyspermus | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Suzuki, K, Ichinose, H, Kamino, K, Ogasawara, W, Kaneko, S, Fushinobu, S. | | Deposit date: | 2013-07-19 | | Release date: | 2014-07-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Purification, cloning, functional expression, structure, and characterization of a thermostable beta-mannanase from Talaromyces trachyspermus and its efficiency in production of mannooligosaccharides from coffee wastes
To be Published
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3WPK
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2BS3
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2BZ9
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4I8X
 | | Crystal structure of rabbit LDHA in complex with AP27460 | | Descriptor: | 6-phenylpyridine-3-carboxylic acid, L-lactate dehydrogenase A chain | | Authors: | Zhou, T, Stephan, Z.G, Kohlmann, A, Li, F, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C. | | Deposit date: | 2012-12-04 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
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2XVL
 | | crystal structure of alpha-xylosidase (GH31) from Cellvibrio japonicus in complex with Pentaerythritol propoxylate (5 4 PO OH) | | Descriptor: | (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol, ALPHA-XYLOSIDASE, PUTATIVE, ... | | 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 (2.3 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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4DBV
 | | GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE MUTANT WITH LEU 33 REPLACED BY THR, THR 34 REPLACED BY GLY, ASP 36 REPLACED BY GLY, LEU 187 REPLACED BY ALA, AND PRO 188 REPLACED BY SER COMPLEXED WITH NADP+ | | Descriptor: | GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION | | Authors: | Didierjean, C, Rahuel-Clermont, S, Vitoux, B, Dideberg, O, Branlant, G, Aubry, A. | | Deposit date: | 1997-01-06 | | Release date: | 1997-07-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A crystallographic comparison between mutated glyceraldehyde-3-phosphate dehydrogenases from Bacillus stearothermophilus complexed with either NAD+ or NADP+.
J.Mol.Biol., 268, 1997
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1ODT
 | | cephalosporin C deacetylase mutated, in complex with acetate | | Descriptor: | ACETATE ION, CEPHALOSPORIN C DEACETYLASE | | Authors: | Vincent, F, Charnock, S.J, Verschueren, K.H.G, Turkenburg, J.P, Scott, D.J, Offen, W.A, Roberts, S, Pell, G, Gilbert, H.J, Brannigan, J.A, Davies, G.J. | | Deposit date: | 2003-02-20 | | Release date: | 2003-07-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Multifunctional Xylooligosaccharide/Cephalosporin C Deacetylase Revealed by the Hexameric Structure of the Bacillus Subtilis Enzyme at 1.9A Resolution
J.Mol.Biol., 330, 2003
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2C07
 | | Oxoacyl-ACP reductase of Plasmodium falciparum | | Descriptor: | 3-OXOACYL-(ACYL-CARRIER PROTEIN) REDUCTASE, SULFATE ION | | Authors: | Urch, J.E, Wickramasinghe, S.R, Inglis, K.A, Muller, S, Fairlamb, A.H, van Aalten, D.M.F. | | Deposit date: | 2005-08-26 | | Release date: | 2005-10-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Kinetic, Inhibition and Structural Studies on 3-Oxoacyl-Acp Reductase from Plasmodium Falciparum, a Key Enzyme in Fatty Acid Biosynthesis.
Biochem.J., 393, 2006
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