5Q8C
 
 | | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 221) | | Descriptor: | DCLRE1A, MALONATE ION, NICKEL (II) ION | | Authors: | Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2017-05-25 | | Release date: | 2018-08-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5Q8Q
 | | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 236) | | Descriptor: | DCLRE1A, MALONATE ION, NICKEL (II) ION | | Authors: | Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2017-05-25 | | Release date: | 2018-08-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5Q96
 | | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 252) | | Descriptor: | DCLRE1A, MALONATE ION, NICKEL (II) ION | | Authors: | Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2017-05-25 | | Release date: | 2018-08-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5Q9M
 | | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 268) | | Descriptor: | DCLRE1A, MALONATE ION, NICKEL (II) ION | | Authors: | Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2017-05-25 | | Release date: | 2018-08-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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3KMV
 | | Crystal structure of CBM42A from Clostridium thermocellum | | Descriptor: | ACETATE ION, Alpha-L-arabinofuranosidase B, CALCIUM ION, ... | | Authors: | Santos-Silva, T, Alves, V.D, Prates, J.A.M, Fontes, C.M.G.A, Romao, M.J. | | Deposit date: | 2009-11-11 | | Release date: | 2010-08-04 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Family 42 carbohydrate-binding modules display multiple arabinoxylan-binding interfaces presenting different ligand affinities.
Biochim.Biophys.Acta, 1804, 2010
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3MM0
 | | Crystal structure of chimeric avidin | | Descriptor: | Avidin, Avidin-related protein 4/5 | | Authors: | Livnah, O, Eisenberg-Domovich, Y, Maatta, J.A.E, Kulomaa, M.S, Hytonen, V.P, Nordlund, H.R. | | Deposit date: | 2010-04-19 | | Release date: | 2010-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Chimeric avidin shows stability against harsh chemical conditions-biochemical analysis and 3D structure.
Biotechnol.Bioeng., 108, 2011
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2K71
 | | Structure and dynamics of a DNA GNRA hairpin solved vy high-sensitivity NMR with two independent converging methods, simulated annealing (DYANA) and mesoscopic molecular modelling (BCE/AMBER) | | Descriptor: | 5'-D(*DGP*DCP*DGP*DAP*DAP*DAP*DGP*DC)-3' | | Authors: | Santini, G.P.H, Cognet, J.A.H, Xu, D, Singarapu, K.K, Herve du Penhoat, C.L.M. | | Deposit date: | 2008-07-29 | | Release date: | 2009-07-21 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Nucleic acid folding determined by mesoscale modeling and NMR spectroscopy: solution structure of d(GCGAAAGC).
J.Phys.Chem.B, 113, 2009
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6XKL
 | | SARS-CoV-2 HexaPro S One RBD up | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Wrapp, D, Hsieh, C.-L, Goldsmith, J.A, McLellan, J.S. | | Deposit date: | 2020-06-26 | | Release date: | 2020-07-15 | | Last modified: | 2020-09-30 | | Method: | ELECTRON MICROSCOPY (3.21 Å) | | Cite: | Structure-based design of prefusion-stabilized SARS-CoV-2 spikes.
Science, 369, 2020
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8OU8
 | | Crystal structure of E. coli threonyl tRNA synthetase in complex with a TM84 analogue | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Threonine--tRNA ligase, ... | | Authors: | Rodriguez Buitrago, J.A, Parisini, E, Aigars, J. | | Deposit date: | 2023-04-22 | | Release date: | 2023-07-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Synthesis and evaluation of an agrocin 84 toxic moiety (TM84) analogue as a malarial threonyl tRNA synthetase inhibitor.
Org.Biomol.Chem., 21, 2023
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2I53
 | | Crystal structure of Cyclin K | | Descriptor: | ACETATE ION, Cyclin K | | Authors: | Baek, K, Brown, R.S, Birrane, G, Ladias, J.A.A. | | Deposit date: | 2006-08-23 | | Release date: | 2007-01-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structure of Human Cyclin K, a Positive Regulator of Cyclin-dependent Kinase 9.
J.Mol.Biol., 366, 2007
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2ING
 | | X-ray Structure of the BRCA1 BRCT mutant M1775K | | Descriptor: | Breast cancer type 1 susceptibility protein, COBALT (II) ION, SULFATE ION | | Authors: | Birrane, G, Soni, A, Ladias, J.A.A. | | Deposit date: | 2006-10-07 | | Release date: | 2007-09-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Pathogenicity of the BRCA1 missense variant M1775K is determined by the disruption of the BRCT phosphopeptide-binding pocket: a multi-modal approach.
Eur.J.Hum.Genet., 16, 2008
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2IDH
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2KG2
 | | Solution structure of a PDZ protein | | Descriptor: | Tax1-binding protein 3 | | Authors: | Durney, M.A, Birrane, G, Anklin, C, Soni, A, Ladias, J.A.A. | | Deposit date: | 2009-03-02 | | Release date: | 2010-01-19 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the human Tax-interacting protein-1.
J.Biomol.Nmr, 45, 2009
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2M1J
 | | Ovine Doppel Signal peptide (1-30) | | Descriptor: | Prion-like protein doppel | | Authors: | Pimenta, J, Viegas, A, Sardinha, J, Santos, A, Cantante, C, Dias, F.M.V, Soares, R, Cabrita, E.J, Fontes, C.M.G.A, Prates, J.A.M, Pereira, R.M.L.N. | | Deposit date: | 2012-11-28 | | Release date: | 2013-10-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure and SRP54M predicted interaction of the N-terminal sequence (1-30) of the ovine Doppel protein.
Peptides, 49C, 2013
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5LZM
 | | COMPARISON OF THE CRYSTAL STRUCTURE OF BACTERIOPHAGE T4 LYSOZYME AT LOW, MEDIUM, AND HIGH IONIC STRENGTHS | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME | | Authors: | Bell, J.A, Wilson, K, Zhang, X.-J, Faber, H.R, Nicholson, H, Matthews, B.W. | | Deposit date: | 1991-01-25 | | Release date: | 1992-07-15 | | Last modified: | 2021-06-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Comparison of the crystal structure of bacteriophage T4 lysozyme at low, medium, and high ionic strengths.
Proteins, 10, 1991
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1I92
 | | STRUCTURAL BASIS OF THE NHERF PDZ1-CFTR INTERACTION | | Descriptor: | CHLORIDE ION, NA+/H+ EXCHANGE REGULATORY CO-FACTOR | | Authors: | Karthikeyan, S, Leung, T, Ladias, J.A.A. | | Deposit date: | 2001-03-16 | | Release date: | 2001-06-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis of the Na+/H+ exchanger regulatory factor PDZ1 interaction with the carboxyl-terminal region of the cystic fibrosis transmembrane conductance regulator.
J.Biol.Chem., 276, 2001
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2NTE
 | | Crystal Structure of the BARD1 BRCT Domains | | Descriptor: | 1,2-ETHANEDIOL, BRCA1-associated RING domain protein 1, CHLORIDE ION, ... | | Authors: | Birrane, G, Varma, A.K, Soni, A, Ladias, J.A.A. | | Deposit date: | 2006-11-07 | | Release date: | 2007-06-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the BARD1 BRCT domains.
Biochemistry, 46, 2007
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1DWW
 | | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and dihydrobiopterin | | Descriptor: | 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, N-OMEGA-HYDROXY-L-ARGININE, NITRIC OXIDE SYNTHASE, ... | | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | | Deposit date: | 1999-12-14 | | Release date: | 2000-02-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structures of the N(Omega)-Hydroxy-L-Arginine Complex of Inducible Nitric Oxide Synthase Oxygenase Dimer with Active Andinactive Pterins
Biochemistry, 39, 2000
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1DWX
 | | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and tetrahydrobiopterin | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, N-OMEGA-HYDROXY-L-ARGININE, NITRIC OXIDE SYNTHASE, ... | | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | | Deposit date: | 1999-12-14 | | Release date: | 2000-02-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structures of the N(Omega)-Hydroxy-L-Arginine Complex of Inducible Nitric Oxide Synthase Oxygenase Dimer with Active Andinactive Pterins
Biochemistry, 39, 2000
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1DWV
 | | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and 4-amino tetrahydrobiopterin | | Descriptor: | 2,4-DIAMINO-6-[2,3-DIHYDROXY-PROP-3-YL]-5,6,7,8-TETRAHYDROPTERIDINE, N-OMEGA-HYDROXY-L-ARGININE, NITRIC OXIDE SYNTHASE, ... | | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | | Deposit date: | 1999-12-14 | | Release date: | 2000-02-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structures of the N(Omega)-Hydroxy-L-Arginine Complex of Inducible Nitric Oxide Synthase Oxygenase Dimer with Active Andinactive Pterins
Biochemistry, 39, 2000
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2OEI
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2QFF
 | | Crystal structure of Staphylococcal Complement Inhibitor | | Descriptor: | Hypothetical protein | | Authors: | Milder, F.J, Rooijakkers, S.H.M, Bardoel, B.W, Ruyken, M, Van Strijp, J.A.G, Gros, P. | | Deposit date: | 2007-06-27 | | Release date: | 2007-09-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Staphylococcal complement inhibitor: structure and active sites.
J.Immunol., 179, 2007
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3RU4
 | | Crystal structure of the Bowman-Birk serine protease inhibitor BTCI in complex with trypsin and chymotrypsin | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, Bowman-Birk type seed trypsin and chymotrypsin inhibitor, ... | | Authors: | Esteves, G.F, Santos, C.R, Ventura, M.M, Barbosa, J.A.R.G, Freitas, S.M. | | Deposit date: | 2011-05-04 | | Release date: | 2012-08-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Crystal structure of the Bowman-Birk serine protease inhibitor BTCI in complex with trypsin and chymotrypsin
To be Published
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8SKB
 | | Crystal Structure of GDP-mannose 3,5 epimerase de Myrciaria dubia in complex with NAD | | Descriptor: | GDP-mannose 3,5 epimerase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C. | | Deposit date: | 2023-04-19 | | Release date: | 2024-03-13 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Structural insights into the Smirnoff-Wheeler pathway for vitamin C production in the Amazon fruit camu-camu.
J.Exp.Bot., 75, 2024
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8SCC
 | | Crystal Structure of L-galactose 1-dehydrogenase de Myrciaria dubia | | Descriptor: | L-galactose dehydrogenase | | Authors: | Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C. | | Deposit date: | 2023-04-05 | | Release date: | 2024-03-13 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural insights into the Smirnoff-Wheeler pathway for vitamin C production in the Amazon fruit camu-camu.
J.Exp.Bot., 75, 2024
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