1TUA
 
 | | 1.5 A Crystal Structure of a Protein of Unknown Function APE0754 from Aeropyrum pernix | | Descriptor: | Hypothetical protein APE0754 | | Authors: | Zhang, R, Skarina, T, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-06-24 | | Release date: | 2004-08-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | 1.5A crystal structure of a hypothetical protein APE0754 from Aeropyrum pernix
To be Published
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2WQ8
 | | Glycan labelling using engineered variants of galactose oxidase obtained by directed evolution | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CALCIUM ION, ... | | Authors: | Rannes, J.G, Ioannou, A, Willies, S.C, Behrens, C, Grogan, G.J, Flitsch, S.L, Turner, N.J. | | Deposit date: | 2009-08-14 | | Release date: | 2010-09-01 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Glycoprotein Labeling Using Engineered Variants of Galactose Oxidase Obtained by Directed Evolution.
J.Am.Chem.Soc., 133, 2011
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3ITK
 | | Crystal structure of human UDP-glucose dehydrogenase Thr131Ala, apo form. | | Descriptor: | 1,2-ETHANEDIOL, TETRAETHYLENE GLYCOL, UDP-glucose 6-dehydrogenase | | Authors: | Chaikuad, A, Egger, S, Yue, W.W, Sethi, R, Filippakopoulos, P, Muniz, J.R.C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Kavanagh, K.L, Nidetzky, B, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-08-28 | | Release date: | 2009-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure and mechanism of human UDP-glucose 6-dehydrogenase.
J.Biol.Chem., 286, 2011
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7E5Q
 | | Crystal Structure of Dye Decolorizing peroxidase from Bacillus subtilis at acidic pH | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, CITRIC ACID, ... | | Authors: | Dhankhar, P, Dalal, V, Kumar, P. | | Deposit date: | 2021-02-19 | | Release date: | 2022-08-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural insights at acidic pH of dye-decolorizing peroxidase from Bacillus subtilis.
Proteins, 2022
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2Z9B
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3Q11
 | | Crystals Structure of Aspartate beta-Semialdehyde Dehydrogenase from Streptococcus pneumoniae with NADP and aspartyl beta-difluorophosphonate | | Descriptor: | 1,2-ETHANEDIOL, 5,5-difluoro-4-oxo-5-phosphono-D-norvaline, Aspartate-semialdehyde dehydrogenase, ... | | Authors: | Pavlovsky, A.G, Viola, R.E, Faehnle, C.R. | | Deposit date: | 2010-12-16 | | Release date: | 2012-01-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Characterization of Inhibitors with Selectivity against Members of a Homologous Enzyme Family.
Chem.Biol.Drug Des., 79, 2012
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1R1C
 | | PSEUDOMONAS AERUGINOSA W48F/Y72F/H83Q/Y108W-AZURIN RE(PHEN)(CO)3(HIS107) | | Descriptor: | (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), Azurin, COPPER (I) ION | | Authors: | Miller, J.E, Gradinaru, C, Crane, B.R, Di Bilio, A.J. | | Deposit date: | 2003-09-23 | | Release date: | 2003-09-30 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Spectroscopy and reactivity of a photogenerated tryptophan radical in a structurally defined protein environment
J.Am.Chem.Soc., 125, 2003
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5SCM
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1E7W
 | | One active site, two modes of reduction correlate the mechanism of leishmania pteridine reductase with pterin metabolism and antifolate drug resistance in trpanosomes | | Descriptor: | 1,2-ETHANEDIOL, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Gourley, D.G, Hunter, W.N. | | Deposit date: | 2000-09-11 | | Release date: | 2001-09-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Pteridine Reductase Mechanism Correlates Pterin Metabolism with Drug Resistance in Trypanosomatid Parasites.
Nat.Struct.Biol., 8, 2001
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1T06
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1E5V
 | | OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES BUFFER | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Dimethyl sulfoxide/trimethylamine N-oxide reductase, MOLYBDENUM (IV)OXIDE, ... | | Authors: | Bailey, S, Bennett, B, Adams, B, Smith, A.T, Bray, R.C. | | Deposit date: | 2000-08-03 | | Release date: | 2000-08-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Reversible Dissociation of Thiolate Ligands from Molybdenum in an Enzyme of the Dimethyl Sulfoxide Reductase Family
Biochemistry, 39, 2000
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3R31
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6JQB
 | | The structure of maltooligosaccharide-forming amylase from Pseudomonas saccharophila STB07 with pseudo-maltoheptaose | | Descriptor: | 1,2-ETHANEDIOL, ACARBOSE DERIVED HEPTASACCHARIDE, CALCIUM ION, ... | | Authors: | Li, Z.F, Ban, X.F, Zhang, Z.Q, Li, C.M, Gu, Z.B, Jin, T.C, Li, Y.L, Shang, Y.H. | | Deposit date: | 2019-03-30 | | Release date: | 2020-04-01 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.101 Å) | | Cite: | Structure of maltotetraose-forming amylase from Pseudomonas saccharophila STB07 provides insights into its product specificity.
Int.J.Biol.Macromol., 154, 2020
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6D5E
 | | Ras:SOS:Ras in complex with a small molecule activator | | Descriptor: | 1-[(2S)-1-{6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazol-4-yl}pyrrolidin-2-yl]methanamine, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Phan, J, Hodges, T, Fesik, S.W. | | Deposit date: | 2018-04-19 | | Release date: | 2018-09-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
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5ZHP
 | | M3 muscarinic acetylcholine receptor in complex with a selective antagonist | | Descriptor: | (1R,2R,4S,5S,7s)-7-({[4-fluoro-2-(thiophen-2-yl)phenyl]carbamoyl}oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium, CITRIC ACID, HEXAETHYLENE GLYCOL, ... | | Authors: | Liu, H, Hofmann, J, Fish, I, Schaake, B, Eitel, K, Bartuschat, A, Kaindl, J, Rampp, H, Banerjee, A, Hubner, H, Clark, M.J, Vincent, S.G, Fisher, J, Heinrich, M, Hirata, K, Liu, X, Sunahara, R.K, Shoichet, B.K, Kobilka, B.K, Gmeiner, P. | | Deposit date: | 2018-03-13 | | Release date: | 2018-11-28 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure-guided development of selective M3 muscarinic acetylcholine receptor antagonists
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5MOI
 | | Crystal structure of human IgE-Fc epsilon 3-4 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ig epsilon chain C region, ... | | Authors: | Dore, K.A, Davies, A.M, Drinkwater, N, Beavil, A.J, McDonnell, J.M, Sutton, B.J. | | Deposit date: | 2016-12-14 | | Release date: | 2018-01-10 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Thermal sensitivity and flexibility of the C epsilon 3 domains in immunoglobulin E.
Biochim. Biophys. Acta, 1865, 2017
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1E60
 | | OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES - Structure II BUFFER | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Dimethyl sulfoxide/trimethylamine N-oxide reductase, MOLYBDENUM (IV)OXIDE, ... | | Authors: | Bailey, S, Bennett, B, Adams, B, Smith, A.T, Bray, R.C. | | Deposit date: | 2000-08-06 | | Release date: | 2000-08-25 | | Last modified: | 2025-10-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Reversible Dissociation of Thiolate Ligands from Molybdenum in an Enzyme of the Dimethyl Sulfoxide Reductase Family
Biochemistry, 39, 2000
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5ZGS
 | | Crystal structure of the complex of bovine lactoperoxidase with multiple SCN and OSCN ions in the distal heme cavity | | Descriptor: | 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Singh, P.K, Singh, R.P, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2018-03-10 | | Release date: | 2018-05-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the complex of bovine lactoperoxidase with multiple SCN and OSCN ions in the distal heme cavity
To Be Published
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4E6P
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4LTN
 | | Crystal structures of NADH:FMN oxidoreductase (EMOB) - FMN, NADH complex | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN MONONUCLEOTIDE, NADH-dependent FMN reductase, ... | | Authors: | Nissen, M.S, Youn, B, Knowles, B.D, Ballinger, J.W, Jun, S, Belchik, S.M, Xun, L, Kang, C. | | Deposit date: | 2013-07-23 | | Release date: | 2013-08-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.996 Å) | | Cite: | Crystal structures of NADH:FMN oxidoreductase (EmoB) at different stages of catalysis.
J.Biol.Chem., 283, 2008
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6JJR
 | | Crystal structure of human chitotriosidase-1 (hChit1) catalytic domain in complex with compound 2-8-14 | | Descriptor: | 6-azanyl-2-oxidanylidene-N-[(1S)-1-phenylethyl]-7-(phenylmethyl)-1$l^{4},9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6,10,12-hexaene-5-carboxamide, Chitotriosidase-1 | | Authors: | Jiang, X, Yang, Q. | | Deposit date: | 2019-02-26 | | Release date: | 2020-02-19 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.834 Å) | | Cite: | A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.
J.Med.Chem., 63, 2020
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1WPA
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1F17
 | | L-3-HYDROXYACYL-COA DEHYDROGENASE COMPLEXED WITH NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-3-HYDROXYACYL-COA DEHYDROGENASE | | Authors: | Barycki, J.J, O'Brien, L.K, Strauss, A.W, Banaszak, L.J. | | Deposit date: | 2000-05-18 | | Release date: | 2000-09-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Sequestration of the active site by interdomain shifting. Crystallographic and spectroscopic evidence for distinct conformations of L-3-hydroxyacyl-CoA dehydrogenase.
J.Biol.Chem., 275, 2000
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4PNX
 | | Crystal structure of the complex of lactoperoxidase with bromo methane at 2.41 angstrom resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BROMOMETHANE, CALCIUM ION, ... | | Authors: | Sirohi, H.V, Tyagi, T.K, Singh, A.K, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2014-02-22 | | Release date: | 2014-03-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structure of bovine lactoperoxidase with a partially linked heme moiety at 1.98 angstrom resolution.
Biochim.Biophys.Acta, 1865, 2017
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2GS5
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