5B0B
 
 | | Polyketide cyclase OAC from Cannabis sativa, I7F mutant | | Descriptor: | ACETATE ION, Olivetolic acid cyclase | | Authors: | Yang, X, Matsui, T, Mori, T, Abe, I, Morita, H. | | Deposit date: | 2015-10-28 | | Release date: | 2016-01-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.187 Å) | | Cite: | Structural basis for olivetolic acid formation by a polyketide cyclase from Cannabis sativa
Febs J., 283, 2016
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5AO0
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5AO3
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5ANQ
 | | inhibitors of JumonjiC domain-containing histone demethylases | | Descriptor: | 2-{2-[(pyridin-3-ylmethyl)amino]pyrimidin-4-yl}pyridine-4-carboxylic acid, CHLORIDE ION, FE (II) ION, ... | | Authors: | Roatsch, M, Robaa, D, Pippel, M, Nettleship, J.E, Reddivari, Y, Bird, L.E, Hoffmann, I, Franz, H, Owens, R.J, Schuele, R, Flaig, R, Sippl, W, Jung, M. | | Deposit date: | 2015-09-07 | | Release date: | 2016-03-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Substituted 2-(2-Aminopyrimidin-4-Yl)Pyridine-4-Carboxylates as Potent Inhibitors of Jumonjic Domain-Containing Histone Demethylases.
Fut.Med.Chem., 8, 2016
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5AO4
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5C7K
 | | Crystal structure BG505 SOSIP gp140 HIV-1 Env trimer bound to broadly neutralizing antibodies PGT128 and 8ANC195 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab 8ANC195 heavy chain, ... | | Authors: | Kong, L, Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2015-06-24 | | Release date: | 2015-10-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (4.6019 Å) | | Cite: | Complete epitopes for vaccine design derived from a crystal structure of the broadly neutralizing antibodies PGT128 and 8ANC195 in complex with an HIV-1 Env trimer.
Acta Crystallogr.,Sect.D, 71, 2015
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4DCZ
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4DQ3
 | | Bovine beta-lactoglobulin complex with oleic acid | | Descriptor: | Beta-lactoglobulin, ETHANOL, GLYCEROL, ... | | Authors: | Loch, J.I, Lewinski, K. | | Deposit date: | 2012-02-15 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Binding of 18-carbon unsaturated fatty acids to bovine beta-lactoglobulin--structural and thermodynamic studies.
Int.J.Biol.Macromol., 57, 2013
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4DGV
 | | Structure of the Hepatitis C virus envelope glycoprotein E2 antigenic region 412-423 bound to the broadly neutralizing antibody HCV1, P2(1) form | | Descriptor: | E2 peptide, HCV1 Heavy Chain, HCV1 Light Chain, ... | | Authors: | Kong, L, Wilson, I.A, Law, M. | | Deposit date: | 2012-01-26 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.805 Å) | | Cite: | Structural basis of hepatitis C virus neutralization by broadly neutralizing antibody HCV1.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4DJ2
 | | Unwinding the Differences of the Mammalian PERIOD Clock Proteins from Crystal Structure to Cellular Function | | Descriptor: | Period circadian protein homolog 1 | | Authors: | Kucera, N, Schmalen, I, Hennig, S, Oellinger, R, Strauss, H.M, Grudziecki, A, Wieczorek, C, Kramer, A, Wolf, E. | | Deposit date: | 2012-02-01 | | Release date: | 2012-02-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Unwinding the differences of the mammalian PERIOD clock proteins from crystal structure to cellular function.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4DES
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4DJA
 | | Crystal structure of a prokaryotic (6-4) photolyase PhrB from Agrobacterium Tumefaciens with an Fe-S cluster and a 6,7-dimethyl-8-ribityllumazine antenna chromophore at 1.45A resolution | | Descriptor: | 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Scheerer, P, Zhang, F, Oberpichler, I, Lamparter, T, Krauss, N. | | Deposit date: | 2012-02-01 | | Release date: | 2013-04-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structure of a prokaryotic (6-4) photolyase with an Fe-S cluster and a 6,7-dimethyl-8-ribityllumazine antenna chromophore.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4E18
 | | Alpha-E-catenin is an autoinhibited molecule that co-activates vinculin | | Descriptor: | Catenin alpha-1, Vinculin | | Authors: | Choi, H.-J, Pokutta, S, Cadwell, G.W, Bankston, L.A, Liddington, R.C, Weis, W.I. | | Deposit date: | 2012-03-05 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.403 Å) | | Cite: | Conformational plasticity of alpha-catenin revealed by binding interactions with vinculin
To be Published
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4DET
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4DQ4
 | | Bovine beta-lactoglobulin complex with linoleic acid | | Descriptor: | Beta-lactoglobulin, ETHANOL, GLYCEROL, ... | | Authors: | Loch, J.I, Lewinski, K. | | Deposit date: | 2012-02-15 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Binding of 18-carbon unsaturated fatty acids to bovine beta-lactoglobulin--structural and thermodynamic studies.
Int.J.Biol.Macromol., 57, 2013
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4DMO
 | | Crystal structure of the (BACCR)NAT3 arylamine N-acetyltransferase from Bacillus cereus reveals a unique Cys-His-Glu catalytic triad | | Descriptor: | 3-(1-methylpiperidinium-1-yl)propane-1-sulfonate, N-hydroxyarylamine O-acetyltransferase | | Authors: | Kubiak, X, Li de la Sierra-Gallay, I, Haouz, A, Weber, P, Rodrigues-Lima, F. | | Deposit date: | 2012-02-08 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structural and Biochemical Characterization of an Active Arylamine N-Acetyltransferase Possessing a Non-canonical Cys-His-Glu Catalytic Triad.
J.Biol.Chem., 288, 2013
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4WG0
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4WW2
 | | Crystal structure of human TCR Alpha Chain-TRAV21-TRAJ8, Beta Chain-TRBV7-8, Antigen-presenting glycoprotein CD1d, and Beta-2-microglobulin | | Descriptor: | (15Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, ... | | Authors: | Le Nours, J, Praveena, T, Pellicci, D, Gherardin, N.A, Lim, R.T, Besra, G, Keshipeddy, S, Richardson, S.K, Howell, A.R, Gras, S, Godfrey, D.I, Rossjohn, J, Uldrich, A.P. | | Deposit date: | 2014-11-10 | | Release date: | 2016-02-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Atypical natural killer T-cell receptor recognition of CD1d-lipid antigens.
Nat Commun, 7, 2016
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2K8V
 | | Solution structure of Oxidised ERp18 | | Descriptor: | Thioredoxin domain-containing protein 12 | | Authors: | Rowe, M.L, Alanen, H.I, Ruddock, L.W, Kelly, G, Schmidt, J.M, Williamson, R.A, Howard, M.J. | | Deposit date: | 2008-09-25 | | Release date: | 2009-06-02 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure and dynamics of ERp18, a small endoplasmic reticulum resident oxidoreductase .
Biochemistry, 48, 2009
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6FC9
 | | The 1,8-bis(aminomethyl)anthracene and Quadruplex-duplex junction complex | | Descriptor: | DNA (27-MER), [8-(azaniumylmethyl)anthracen-1-yl]methylazanium | | Authors: | Santana, A, Serrano, I, Montalvillo-Jimenez, L, Corzana, F, Bastida, A, Jimenez-Barbero, J, Gonzalez, C, Asensio, J.L. | | Deposit date: | 2017-12-20 | | Release date: | 2019-04-10 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | De Novo Design of Selective Quadruplex-Duplex Junction Ligands and Structural Characterisation of Their Binding Mode: Targeting the G4 Hot-Spot.
Chemistry, 2020
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6EST
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6FP4
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1,8-Naphthyridine-2-carboxylic acid | | Descriptor: | (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid, 1,8-naphthyridine-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Silvestri, I, Fata, F, MIele, A.E, Boumis, G, Williams, D.L, Angelucci, F. | | Deposit date: | 2018-02-09 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as "Doorstop" for NADPH Entry.
ACS Chem. Biol., 13, 2018
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2KAF
 | | Solution structure of the SARS-unique domain-C from the nonstructural protein 3 (nsp3) of the severe acute respiratory syndrome coronavirus | | Descriptor: | Non-structural protein 3 | | Authors: | Johnson, M.A, Mohanty, B, Pedrini, B, Serrano, P, Chatterjee, A, Herrmann, T, Joseph, J, Saikatendu, K, Wilson, I.A, Buchmeier, M.J, Kuhn, P, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2008-11-05 | | Release date: | 2008-11-25 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | SARS coronavirus unique domain: three-domain molecular architecture in solution and RNA binding.
J.Mol.Biol., 400, 2010
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6FRR
 | | Structural and immunological properties of the allergen Art v 3 | | Descriptor: | Non-specific lipid-transfer protein, SULFATE ION | | Authors: | Brandstetter, H, Soh, W.T, Magler, I. | | Deposit date: | 2018-02-16 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.948 Å) | | Cite: | Boiling down the cysteine-stabilized LTP fold - loss of structural and immunological integrity of allergenic Art v 3 and Pru p 3 as a consequence of irreversible lanthionine formation.
Mol.Immunol., 116, 2019
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4WO4
 | | The molecular bases of Delta/Alpha beta T cell-mediated antigen recognition. | | Descriptor: | (15Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pellicci, D.G, Uldrich, A.P, Le Nours, J, Ross, F, Chabrol, E, Eckle, S.B.G, de Boer, R, Lim, R.T, McPherson, K, Besra, G, Howell, A.R, Moretta, L, McCluskey, J, Heemskerk, M.H.M, Gras, S, Rossjohn, J, Godfrey, D.I. | | Deposit date: | 2014-10-15 | | Release date: | 2014-11-26 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The molecular bases of delta / alpha beta T cell-mediated antigen recognition.
J.Exp.Med., 211, 2014
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