7OVH
 
 | | Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 14 (JMV-6931) | | Descriptor: | ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, UNKNOWN LIGAND, ... | | Authors: | Tassone, G, Benvenuti, M, Verdirosa, F, Sannio, F, Marcoccia, F, Docquier, J.D, Pozzi, C, Mangani, S. | | Deposit date: | 2021-06-14 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-beta-lactamase inhibitors with re-sensitization activity.
Eur.J.Med.Chem., 226, 2021
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7OVE
 | | Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 10 (JMV-7210) | | Descriptor: | ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, UNKNOWN LIGAND, ... | | Authors: | Tassone, G, Benvenuti, M, Verdirosa, F, Sannio, F, Mangani, S, Docquier, J.D, Pozzi, C, Marcoccia, F. | | Deposit date: | 2021-06-14 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | 1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-beta-lactamase inhibitors with re-sensitization activity.
Eur.J.Med.Chem., 226, 2021
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2VUC
 | | PA-IIL lectin from Pseudomonas aeruginosa complexed with Fucose- derived glycomimetics | | Descriptor: | CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, SULFATE ION, ... | | Authors: | Beha, S, Marotte, K, Sabin, C, Mitchell, E.P, Imberty, A, Roy, R. | | Deposit date: | 2008-05-22 | | Release date: | 2009-07-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Fucose-Derived Glycomimetics as High Affinity Ligands for Bacterial Lectin Pa-Iil from Pseudomonas Aeruginosa
To be Published
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4A5P
 | | Structure of the Shigella flexneri MxiA protein | | Descriptor: | 1,2-ETHANEDIOL, PROTEIN MXIA | | Authors: | Abrusci, P, Vegara-Irigaray, M, Johnson, S, Roversi, P, Friede, M.E, Deane, J.E, Tang, C.M, Lea, S.M. | | Deposit date: | 2011-10-26 | | Release date: | 2012-11-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Architecture of the major component of the type III secretion system export apparatus.
Nat.Struct.Mol.Biol., 20, 2013
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6WQ7
 | | Carbonic Anhydrase II Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(4-fluorobenzyl)-N-(4-sulfamoylphenethyl)acetamide | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ... | | Authors: | Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. | | Deposit date: | 2020-04-28 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.304 Å) | | Cite: | Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action.
J.Med.Chem., 63, 2020
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5DDH
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4YYY
 | | X-ray structure of the thymidine phosphorylase from Salmonella typhimurium in complex with uridine | | Descriptor: | CITRIC ACID, TRIETHYLENE GLYCOL, Thymidine phosphorylase, ... | | Authors: | Balaev, V.V, Lashkov, A.A, Gabdulkhakov, A.G, Betzel, C, Mikhailov, A.M. | | Deposit date: | 2015-03-24 | | Release date: | 2016-03-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structural investigation of the thymidine phosphorylase from Salmonella typhimurium in the unliganded state and its complexes with thymidine and uridine.
Acta Crystallogr.,Sect.F, 72, 2016
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3K6Q
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1F2W
 | | THE MECHANISM OF CYANAMIDE HYDRATION CATALYZED BY CARBONIC ANHYDRASE II REVEALED BY CRYOGENIC X-RAY DIFFRACTION | | Descriptor: | 4-(HYDROXYMERCURY)BENZOIC ACID, CARBONIC ANHYDRASE II, CYANAMIDE, ... | | Authors: | Guerri, A, Briganti, F, Scozzafava, A, Supuran, C.T, Mangani, S. | | Deposit date: | 2000-05-30 | | Release date: | 2000-06-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanism of cyanamide hydration catalyzed by carbonic anhydrase II suggested by cryogenic X-ray diffraction.
Biochemistry, 39, 2000
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6LAU
 | | the wildtype SAM-VI riboswitch bound to SAH | | Descriptor: | CESIUM ION, GUANOSINE-5'-TRIPHOSPHATE, RNA (54-MER), ... | | Authors: | Ren, A, Sun, A. | | Deposit date: | 2019-11-13 | | Release date: | 2020-01-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.109 Å) | | Cite: | SAM-VI riboswitch structure and signature for ligand discrimination.
Nat Commun, 10, 2019
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2WMB
 | | Structural and thermodynamic consequences of cyclization of peptide ligands for the recruitment site of cyclin A | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, LINEAR RKLFD, ... | | Authors: | Robertson, G.F, Endicott, J.A, Noble, M.E.M, McDonnell, J.M. | | Deposit date: | 2009-06-30 | | Release date: | 2010-09-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and Thermodynamic Consequences of Cyclization of Peptide Ligands for the Recruitment Site of Cyclin A
To be Published
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3AYU
 | | Crystal structure of MMP-2 active site mutant in complex with APP-drived decapeptide inhibitor | | Descriptor: | 72 kDa type IV collagenase, Amyloid beta A4 protein, CALCIUM ION, ... | | Authors: | Hashimoto, H, Takeuchi, T, Komatsu, K, Miyazaki, K, Sato, M, Higashi, S. | | Deposit date: | 2011-05-17 | | Release date: | 2011-08-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for matrix metalloproteinase-2 (MMP-2)-selective inhibitory action of {beta}-amyloid precursor protein-derived inhibitor
J.Biol.Chem., 2011
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1EVI
 | | THREE-DIMENSIONAL STRUCTURE OF THE PURPLE INTERMEDIATE OF PORCINE KIDNEY D-AMINO ACID OXIDASE | | Descriptor: | 3,4-DIHYDRO-2H-PYRROLIUM-5-CARBOXYLATE, D-AMINO ACID OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Mizutani, H, Miyahara, I, Hirotsu, K, Nishina, Y, Shiga, K, Setoyama, C, Miura, R. | | Deposit date: | 2000-04-20 | | Release date: | 2000-10-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Three-dimensional structure of the purple intermediate of porcine kidney D-amino acid oxidase. Optimization of the oxidative half-reaction through alignment of the product with reduced flavin.
J.Biochem.(Tokyo), 128, 2000
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6OCJ
 | | Crystal Structure of Equine Serum Albumin in Complex with Suprofen | | Descriptor: | (2S)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid, ACETATE ION, MALONATE ION, ... | | Authors: | Sekula, B, Zielinski, K, Bujacz, A, Bujacz, G. | | Deposit date: | 2019-03-24 | | Release date: | 2020-01-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural investigations of stereoselective profen binding by equine and leporine serum albumins.
Chirality, 32, 2020
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6OCI
 | | Crystal Structure of Equine Serum Albumin in Complex with Ibuprofen | | Descriptor: | FORMIC ACID, IBUPROFEN, SUCCINIC ACID, ... | | Authors: | Sekula, B, Zielinski, K, Bujacz, A, Bujacz, G. | | Deposit date: | 2019-03-24 | | Release date: | 2020-01-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Structural investigations of stereoselective profen binding by equine and leporine serum albumins.
Chirality, 32, 2020
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6A1D
 | | Crystal structure of a synthase 1 from Santalum album in complex with ligand | | Descriptor: | MAGNESIUM ION, SULFATE ION, Sesquisabinene B synthase 1, ... | | Authors: | Han, X, Ko, T.P, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2018-06-07 | | Release date: | 2019-06-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystal structure of a synthase 1 from Santalum album in complex with ligand
To Be Published
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2YBF
 | | Complex of Rad18 (Rad6 binding domain) with Rad6b | | Descriptor: | BETA-MERCAPTOETHANOL, E3 UBIQUITIN-PROTEIN LIGASE RAD18, SODIUM ION, ... | | Authors: | Hibbert, R.G, Sixma, T.K. | | Deposit date: | 2011-03-08 | | Release date: | 2011-04-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | E3 Ligase Rad18 Promotes Monoubiquitination Rather Than Ubiquitin Chain Formation by E2 Enzyme Rad6.
Proc.Natl.Acad.Sci.USA, 108, 2011
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5XRG
 | | Galectin-10/Charcot-Leyden crystal protein crystal structure | | Descriptor: | GLYCEROL, Galectin-10 | | Authors: | Su, J. | | Deposit date: | 2017-06-08 | | Release date: | 2018-01-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
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5XRK
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6A3X
 | | Crystal structure of a synthase 1 from Santalum album in complex with ligand s | | Descriptor: | SULFATE ION, Sabinene, Sesquisabinene B synthase 1 | | Authors: | Han, X, Ko, T.P, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2018-06-18 | | Release date: | 2019-06-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of a synthase 1 from Santalum album in complex with ligand s
To Be Published
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5XRP
 | | Galectin-10/Charcot-Leyden crystal protein variant Q75A | | Descriptor: | GLYCEROL, Galectin-10 | | Authors: | Su, J. | | Deposit date: | 2017-06-08 | | Release date: | 2018-01-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
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6OCK
 | | Crystal Structure of Leporine Serum Albumin in Complex with Ketoprofen | | Descriptor: | (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL, (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, (2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid, ... | | Authors: | Zielinski, K, Sekula, B, Bujacz, A, Bujacz, G. | | Deposit date: | 2019-03-24 | | Release date: | 2020-01-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural investigations of stereoselective profen binding by equine and leporine serum albumins.
Chirality, 32, 2020
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5XRO
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5XRI
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8JZ0
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