6AVN
 
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8C6L
 | | Human protein kinase CK2 alpha in complex with CK2-TN01 | | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-3-[(~{Z})-1-cyano-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-3~{H}-pyrazole-4-carbonitrile, Casein kinase II subunit alpha, ... | | Authors: | Dalle Vedove, A, Cazzanelli, G, Lolli, G. | | Deposit date: | 2023-01-12 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Switching off CK2-mediated activation of survivin offers new therapeutic opportunities in neuroblastoma
to be published
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5LIW
 | | Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK319 | | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A. | | Deposit date: | 2016-07-15 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors.
Acs Chem.Biol., 11, 2016
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5IFS
 | | Quantitative interaction mapping reveals an extended ubiquitin regulatory domain in ASPL that disrupts functional p97 hexamers and induces cell death | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | | Authors: | Roske, Y, Arumughan, A, Heinemann, U, Wanker, E. | | Deposit date: | 2016-02-26 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Quantitative interaction mapping reveals an extended UBX domain in ASPL that disrupts functional p97 hexamers.
Nat Commun, 7, 2016
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3IAZ
 | | Structural basis of the prevention of NSAID-induced damage of the gastrointestinal tract by C-terminal half (C-lobe) of bovine colostrum protein lactoferrin: Binding and structural studies of the C-lobe complex with aspirin | | Descriptor: | 2-(ACETYLOXY)BENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | | Authors: | Mir, R, Singh, N, Sinha, M, Sharma, S, Kaur, P, Srinivasan, A, Singh, T.P. | | Deposit date: | 2009-07-15 | | Release date: | 2009-08-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structural basis for the prevention of nonsteroidal antiinflammatory drug-induced gastrointestinal tract damage by the C-lobe of bovine colostrum lactoferrin
Biophys.J., 97, 2009
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6SG9
 | | Head domain of the mt-SSU assemblosome from Trypanosoma brucei | | Descriptor: | 9S rRNA, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Saurer, M, Ramrath, D.J.F, Niemann, M, Calderaro, S, Prange, C, Mattei, S, Scaiola, A, Leitner, A, Bieri, P, Horn, E.K, Leibundgut, M, Boehringer, D, Schneider, A, Ban, N. | | Deposit date: | 2019-08-03 | | Release date: | 2019-09-18 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Mitoribosomal small subunit biogenesis in trypanosomes involves an extensive assembly machinery.
Science, 365, 2019
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4LB3
 | | Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | | Deposit date: | 2013-06-20 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.8 Å) | | Cite: | Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
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7ALM
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3IHD
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1RYJ
 | | Solution NMR Structure of Protein Mth1743 from Methanobacterium thermoautotrophicum. Ontario Centre for Structural Proteomics target MTH1743_1_70; Northeast Structural Genomics Consortium Target TT526. | | Descriptor: | unknown | | Authors: | Yee, A, Chang, X, Pineda-Lucena, A, Wu, B, Semesi, A, Le, B, Ramelot, T, Lee, G.M, Bhattacharyya, S, Gutierrez, P, Denisov, A, Lee, C.H, Cort, J.R, Kozlov, G, Liao, J, Finak, G, Chen, L, Wishart, D, Lee, W, McIntosh, L.P, Gehring, K, Kennedy, M.A, Edwards, A.M, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2003-12-22 | | Release date: | 2004-02-24 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | AN NMR APPROACH TO STRUCTURAL PROTEOMICS
Proc.Natl.Acad.Sci.USA, 99, 2002
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8PF4
 | | Crystal structure of Trypanosoma brucei trypanothione reductase in complex with 4-(((5-((4-fluorophenethyl)carbamoyl)furan-2-yl)methyl)(4-fluorophenyl)carbamoyl)-1-methyl-1-(3-phenylpropyl)piperazin-1-ium | | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Exertier, C, Ilari, A, Fiorillo, A, Antonelli, L. | | Deposit date: | 2023-06-15 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Fragment Merging, Growing, and Linking Identify New Trypanothione Reductase Inhibitors for Leishmaniasis.
J.Med.Chem., 67, 2024
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5F0P
 | | Structure of retromer VPS26-VPS35 subunits bound to SNX3 and DMT1(L557M) (SeMet labeled) | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Natural resistance-associated macrophage protein 2, ... | | Authors: | Lucas, M, Gershlick, D, Vidaurrazaga, A, Rojas, A.L, Bonifacino, J.S, Hierro, A. | | Deposit date: | 2015-11-27 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Structural Mechanism for Cargo Recognition by the Retromer Complex.
Cell, 167, 2016
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5IKD
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6AZZ
 | | Crystal structure of Pfs25 in complex with the transmission blocking antibody 1190 | | Descriptor: | 1190 antibody, heavy chain, light chain, ... | | Authors: | Scally, S.W, McLeod, B, Bosch, A, King, C.R, Julien, J.P. | | Deposit date: | 2017-09-13 | | Release date: | 2017-11-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular definition of multiple sites of antibody inhibition of malaria transmission-blocking vaccine antigen Pfs25.
Nat Commun, 8, 2017
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5IKO
 | | Crystal structure of human brain glycogen phosphorylase | | Descriptor: | Glycogen phosphorylase, brain form, HEXAETHYLENE GLYCOL, ... | | Authors: | Mathieu, C, Li de la Sierra-Gallay, I, Xu, X, Haouz, A, Rodrigues-Lima, F. | | Deposit date: | 2016-03-03 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Insights into Brain Glycogen Metabolism: THE STRUCTURE OF HUMAN BRAIN GLYCOGEN PHOSPHORYLASE.
J.Biol.Chem., 291, 2016
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4LAZ
 | | Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid | | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid | | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | | Deposit date: | 2013-06-20 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
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7B7F
 | | Room temperature X-ray structure of H/D-exchanged PLL lectin in complex with L-fucose | | Descriptor: | PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose | | Authors: | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | Deposit date: | 2020-12-10 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
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7B7E
 | | Room temperature X-ray structure of perdeuterated PLL lectin | | Descriptor: | PLL lectin | | Authors: | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | Deposit date: | 2020-12-10 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
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7B7C
 | | Room temperature X-ray structure of perdeuterated PLL lectin in complex with L-fucose | | Descriptor: | PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose | | Authors: | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | Deposit date: | 2020-12-10 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
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6AQN
 | | Crystal structure of PPK2 in complex with phosphonic acid inhibitor | | Descriptor: | GLYCEROL, Polyphosphate:AMP phosphotransferase, S,R MESO-TARTARIC ACID, ... | | Authors: | Nocek, B, Berlicki, l, Joachimiak, A, Yakunin, S. | | Deposit date: | 2017-08-20 | | Release date: | 2019-01-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.199 Å) | | Cite: | Structural Insights into Substrate Selectivity and Activity of Bacterial Polyphosphate Kinases
Acs Catalysis, 8, 2018
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5FR3
 | | X-ray crystal structure of aggregation-resistant protective antigen of Bacillus anthracis (mutant S559L T576E) | | Descriptor: | CALCIUM ION, GLYCEROL, PROTECTIVE ANTIGEN | | Authors: | Ganesan, A, Siekierska, A, Beerten, J, Brams, M, van Durme, J, De Baets, G, van der Kant, R, Gallardo, R, Ramakers, M, Langenberg, T, Wilkinson, H, De Smet, F, Ulens, C, Rousseau, F, Schymkowitz, J. | | Deposit date: | 2015-12-15 | | Release date: | 2016-01-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.935 Å) | | Cite: | Structural Hot Spots for the Solubility of Globular Proteins
Nat.Commun., 7, 2016
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5FVN
 | | X-ray crystal structure of Enterobacter cloacae OmpE36 porin. | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 3-HYDROXY-TETRADECANOIC ACID, 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, ... | | Authors: | Arunmanee, W, Pathania, M, Soloyova, A, Brun, A, Ridley, H, Basle, A, van den Berg, B, Lakey, J.H. | | Deposit date: | 2016-02-09 | | Release date: | 2016-08-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Gram-negative trimeric porins have specific LPS binding sites that are essential for porin biogenesis.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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8D8N
 | | gRAMP non-match PFS target RNA | | Descriptor: | RAMP superfamily protein, RNA (35-MER), RNA (5'-R(P*UP*CP*CP*GP*GP*GP*GP*CP*AP*GP*AP*AP*AP*AP*UP*UP*GP*GP*AP*CP*A)-3'), ... | | Authors: | Hu, C, Nam, K.H, Schuler, G, Ke, A. | | Deposit date: | 2022-06-08 | | Release date: | 2022-08-31 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Craspase is a CRISPR RNA-guided, RNA-activated protease.
Science, 377, 2022
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5FT4
 | | Crystal structure of the cysteine desulfurase CsdA from Escherichia coli at 1.996 Angstroem resolution | | Descriptor: | CITRIC ACID, CYSTEINE DESULFURASE CSDA, GLYCEROL, ... | | Authors: | Fernandez, F.J, Arda, A, Lopez-Estepa, M, Aranda, J, Penya-Soler, E, Garces, F, Quintana, J.F, Round, A, Campos-Oliva, R, Bruix, M, Coll, M, Tunon, I, Jimenez-Barbero, J, Vega, M.C. | | Deposit date: | 2016-01-11 | | Release date: | 2016-12-21 | | Last modified: | 2019-01-02 | | Method: | X-RAY DIFFRACTION (1.996 Å) | | Cite: | The Mechanism of Sulfur Transfer Across Protein- Protein Interfaces: The Csd Model
Acs Catalysis, 6, 2016
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2C7G
 | | FprA from Mycobacterium tuberculosis: His57Gln mutant | | Descriptor: | 4-OXO-NICOTINAMIDE-ADENINE DINUCLEOTIDE PHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH-FERREDOXIN REDUCTASE FPRA, ... | | Authors: | Pennati, A, Razeto, A, De Rosa, M, Pandini, V, Vanoni, M.A, Aliverti, A, Mattevi, A, Coda, A, Zanetti, G. | | Deposit date: | 2005-11-24 | | Release date: | 2006-07-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Role of the His57-Glu214 Ionic Couple Located in the Active Site of Mycobacterium Tuberculosis Fpra.
Biochemistry, 45, 2006
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