5MIE
 
 | | The study of the X-ray induced enzymatic reduction of molecular oxygen to water for laccase from Steccherinum murashkinskyi.The 15-th structure of the series with total exposition time 423 min. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, COPPER (II) ION, ... | | Authors: | Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N. | | Deposit date: | 2016-11-28 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural study of the X-ray-induced enzymatic reduction of molecular oxygen to water by Steccherinum murashkinskyi laccase: insights into the reaction mechanism.
Acta Crystallogr D Struct Biol, 73, 2017
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6UTN
 | | Native E. coli Glyceraldehyde 3-phosphate dehydrogenase | | Descriptor: | ACETATE ION, Glyceraldehyde-3-phosphate dehydrogenase, PHOSPHATE ION, ... | | Authors: | Rodriguez-Hernandez, A, Romo-Arevalo, E, Rodriguez-Romero, A. | | Deposit date: | 2019-10-29 | | Release date: | 2019-12-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | A Novel Substrate-Binding Site in the X-Ray Structure of an Oxidized E. coli Glyceraldehyde 3-Phosphate Dehydrogenase Elucidated by Single-Wavelength Anomalous Dispersion
Crystals, 9, 2019
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5MHX
 | | The study of the X-ray induced enzymatic reduction of molecular oxygen to water for laccase from Steccherinum murashkinskyi.The sixth structure of the series with total exposition time 153 min. | | Descriptor: | CITRIC ACID, COPPER (II) ION, Laccase 2, ... | | Authors: | Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N. | | Deposit date: | 2016-11-26 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural study of the X-ray-induced enzymatic reduction of molecular oxygen to water by Steccherinum murashkinskyi laccase: insights into the reaction mechanism.
Acta Crystallogr D Struct Biol, 73, 2017
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5MJ3
 | | INTERLEUKIN-23 COMPLEX WITH AN ANTAGONISTIC ALPHABODY, CRYSTAL FORM 1 | | Descriptor: | ALPHABODY MA12, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ... | | Authors: | Desmet, J, Verstraete, K, Bloch, Y, Lorent, E, Wen, Y, Devreese, B, Vandenbroucke, K, Loverix, S, Hettmann, T, Deroo, S, Somers, K, Hendrikx, P, Lasters, I, Savvides, S.N. | | Deposit date: | 2016-11-29 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural Basis Of Il-23 Antagonism By An Alphabody Protein Scaffold.
Nat Commun, 5, 2014
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1XNZ
 | | Crystal Structure of Mn(II) form of E. coli. Methionine Aminopeptidase in complex with 5-(2-chlorophenyl)furan-2-carboxylic acid | | Descriptor: | 5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID, MANGANESE (II) ION, Methionine aminopeptidase, ... | | Authors: | Ye, Q.-Z, Xie, S.-X, Huang, M, Huang, W.-J, Lu, J.-P, Ma, Z.-Q. | | Deposit date: | 2004-10-05 | | Release date: | 2004-11-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Metalloform-Selective Inhibitors of Escherichia coli Methionine Aminopeptidase and X-ray Structure of a Mn(II)-Form Enzyme Complexed with an Inhibitor.
J.Am.Chem.Soc., 126, 2004
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5MHV
 | | The study of the X-ray induced enzymatic reduction of molecular oxygen to water for laccase from Steccherinum murashkinskyi.The fourth structure of the series with total exposition time 93 min. | | Descriptor: | CITRIC ACID, COPPER (II) ION, Laccase 2, ... | | Authors: | Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N. | | Deposit date: | 2016-11-25 | | Release date: | 2017-05-10 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural study of the X-ray-induced enzymatic reduction of molecular oxygen to water by Steccherinum murashkinskyi laccase: insights into the reaction mechanism.
Acta Crystallogr D Struct Biol, 73, 2017
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5MI2
 | | The study of the X-ray induced enzymatic reduction of molecular oxygen to water for laccase from Steccherinum murashkinskyi.The 10-th structure of the series with total exposition time 273 min. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, COPPER (II) ION, ... | | Authors: | Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N. | | Deposit date: | 2016-11-27 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural study of the X-ray-induced enzymatic reduction of molecular oxygen to water by Steccherinum murashkinskyi laccase: insights into the reaction mechanism.
Acta Crystallogr D Struct Biol, 73, 2017
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5MIC
 | | The study of the X-ray induced enzymatic reduction of molecular oxygen to water for laccase from Steccherinum murashkinskyi.The 13-th structure of the series with total exposition time 363 min. | | Descriptor: | CITRIC ACID, COPPER (II) ION, Laccase 2, ... | | Authors: | Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N. | | Deposit date: | 2016-11-28 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural study of the X-ray-induced enzymatic reduction of molecular oxygen to water by Steccherinum murashkinskyi laccase: insights into the reaction mechanism.
Acta Crystallogr D Struct Biol, 73, 2017
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6V1A
 | | immune receptor complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen beta 74cit69-81, GLYCEROL, ... | | Authors: | Lim, J.J, Rossjohn, J. | | Deposit date: | 2019-11-20 | | Release date: | 2020-11-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | The shared susceptibility epitope of HLA-DR4 binds citrullinated self-antigens and the TCR.
Sci Immunol, 6, 2021
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5GLR
 | | Crystal structure of CoXyl43, GH43 beta-xylosidase/alpha-arabinofuranosidase from a compostmicrobial metagenome in complex with l-arabinose and xylotriose, calcium-bound form | | Descriptor: | CALCIUM ION, Glycoside hydrolase family 43, SODIUM ION, ... | | Authors: | Matsuzawa, T, Kishine, N, Fujimoto, Z, Yaoi, K. | | Deposit date: | 2016-07-12 | | Release date: | 2017-03-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of metagenomic beta-xylosidase/ alpha-l-arabinofuranosidase activated by calcium.
J. Biochem., 162, 2017
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6I4Y
 | | X-ray structure of the human mitochondrial PRELID3b-TRIAP1 complex | | Descriptor: | Maltose transport system, substrate-binding protein,TP53-regulated inhibitor of apoptosis 1, PRELI domain containing protein 3B, ... | | Authors: | Miliara, X, Berry, J.-L, Morgan, R.M.L, Matthews, S.J. | | Deposit date: | 2018-11-12 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Structural determinants of lipid specificity within Ups/PRELI lipid transfer proteins.
Nat Commun, 10, 2019
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6I7W
 | | Structure of the periplasmic binding protein (PBP) AccA in complex with 2-glucose-2-O-lactic acid phosphate (G2LP) from Agrobacterium fabrum C58 | | Descriptor: | 2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-alpha-D-glucopyranose, 2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-beta-D-glucopyranose, ABC transporter, ... | | Authors: | Morera, S, Vigouroux, A, El Sahili, A. | | Deposit date: | 2018-11-19 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Synthesis of a non-natural glucose-2-phosphate ester able to dupe the acc system of Agrobacterium fabrum.
Org. Biomol. Chem., 17, 2019
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6I96
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5O7C
 | | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based inhibitor | | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, 2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinoline-7-carbonitrile, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Bertoletti, N, Braun, F, Heine, A, Klebe, G, Marchais-Oberwinkler, S. | | Deposit date: | 2017-06-08 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
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5O43
 | | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal 2,6-pyridinketone inhibitor. | | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, 2-fluoranyl-3-[6-[(4-fluoranyl-3-oxidanyl-phenyl)-methyl-amino]pyridin-2-yl]phenol, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Bertoletti, N, Heine, A, Braun, F, Klebe, G, Marchais-Oberwinkler, S. | | Deposit date: | 2017-05-25 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
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6I3L
 | | Bilirubin oxidase from Myrothecium verrucaria, mutant W396F | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bilirubin oxidase, COPPER (II) ION, ... | | Authors: | Koval, T, Svecova, L, Skalova, T, Kolenko, P, Duskova, J, Ostergaard, L.H, Dohnalek, J. | | Deposit date: | 2018-11-06 | | Release date: | 2019-10-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Trp-His covalent adduct in bilirubin oxidase is crucial for effective bilirubin binding but has a minor role in electron transfer.
Sci Rep, 9, 2019
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6I51
 | | Thrombin in complex with fragment J02 | | Descriptor: | 1H-isoindol-3-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Abazi, N, Heine, A, Klebe, G. | | Deposit date: | 2018-11-12 | | Release date: | 2019-11-20 | | Last modified: | 2021-03-03 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Fragment screening of Thrombin using a 96 member fragment library
To Be Published
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1ZM8
 | | Apo Crystal structure of Nuclease A from Anabaena sp. | | Descriptor: | MANGANESE (II) ION, Nuclease, SODIUM ION, ... | | Authors: | Ghosh, M, Meiss, G, Pingoud, A, London, R.E, Pedersen, L.C. | | Deposit date: | 2005-05-10 | | Release date: | 2005-06-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Insights into the Mechanism of Nuclease A, a beta beta alpha Metal Nuclease from Anabaena.
J.Biol.Chem., 280, 2005
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5MXF
 | | Photorhabdus asymbiotica lectin (PHL) in complex with alpha-methyl fucoside | | Descriptor: | CHLORIDE ION, Photorhabdus asymbiotica lectin PHL, SODIUM ION, ... | | Authors: | Jancarikova, G, Houser, J, Demo, G, Wimmerova, M. | | Deposit date: | 2017-01-23 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Characterization of novel bangle lectin from Photorhabdus asymbiotica with dual sugar-binding specificity and its effect on host immunity.
PLoS Pathog., 13, 2017
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5FBF
 | | S1 nuclease from Aspergillus oryzae in complex with two molecules of 2'-deoxycytidine-5'-monophosphate | | Descriptor: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nuclease S1, ... | | Authors: | Koval, T, Oestergaard, L.H, Dohnalek, J. | | Deposit date: | 2015-12-14 | | Release date: | 2016-12-28 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition.
PLoS ONE, 11, 2016
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1ZKO
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5MXG
 | | Photorhabdus asymbiotica lectin (PHL) in complex with blood group H trisaccharide | | Descriptor: | Photorhabdus asymbiotica lectin PHL, SODIUM ION, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Jancarikova, G, Houser, J, Demo, G, Wimmerova, M. | | Deposit date: | 2017-01-23 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Characterization of novel bangle lectin from Photorhabdus asymbiotica with dual sugar-binding specificity and its effect on host immunity.
PLoS Pathog., 13, 2017
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6IAL
 | | Porcine E.coli heat-labile enterotoxin B-pentamer in complex with Lacto-N-neohexaose | | Descriptor: | CALCIUM ION, GLYCEROL, Heat-labile enterotoxin B chain, ... | | Authors: | Heim, J.B, Heggelund, J.E, Krengel, U. | | Deposit date: | 2018-11-27 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Specificity ofEscherichia coliHeat-Labile Enterotoxin Investigated by Single-Site Mutagenesis and Crystallography.
Int J Mol Sci, 20, 2019
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5O6X
 | | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based inhibitor | | Descriptor: | (4-fluoranyl-3-oxidanyl-phenyl)-(6-methylquinolin-2-yl)methanone, 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Bertoletti, N, Braun, F, Heine, A, Klebe, G, Marchais-Oberwinkler, S. | | Deposit date: | 2017-06-07 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
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6H0M
 | | 17beta-hydroxysteroid dehydrogenase type 14 mutant K158A in complex with Nicotinamide Adenine Dinucleotide | | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, DIMETHYL SULFOXIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Badran, M, Klebe, G, Heine, A, Marchais-Oberwinkler, S. | | Deposit date: | 2018-07-10 | | Release date: | 2019-07-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | 17beta-hydroxysteroid dehydrogenase type 14 mutant K158A in complex with Nicotinamide Adenine Dinucleotide
To Be Published
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