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4NPD
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BU of 4npd by Molmil
High-resolution structure of C domain of staphylococcal protein A at cryogenic temperature
Descriptor: Immunoglobulin G-binding protein A, THIOCYANATE ION, ZINC ION
Authors:Deis, L.N, Pemble IV, C.W, Oas, T.G, Richardson, J.S, Richardson, D.C.
Deposit date:2013-11-21
Release date:2014-10-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Multiscale conformational heterogeneity in staphylococcal protein a: possible determinant of functional plasticity.
Structure, 22, 2014
4NVR
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BU of 4nvr by Molmil
2.22 Angstrom Resolution Crystal Structure of a Putative Acyltransferase from Salmonella enterica
Descriptor: CALCIUM ION, CHLORIDE ION, Putative acyltransferase
Authors:Minasov, G, Wawrzak, Z, Skarina, T, Gordon, E, Stam, J, Kwon, K, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-12-05
Release date:2013-12-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:2.22 Angstrom Resolution Crystal Structure of a Putative Acyltransferase from Salmonella enterica.
TO BE PUBLISHED
4NQV
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BU of 4nqv by Molmil
Crystal Structure of HLA A*0101 in complex with NP44, an 9-mer influenza epitope
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-1 alpha chain, ...
Authors:Rossjohn, J, Gras, S.
Deposit date:2013-11-25
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Preexisting CD8+ T-cell immunity to the H7N9 influenza A virus varies across ethnicities.
Proc.Natl.Acad.Sci.USA, 111, 2014
3BQR
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BU of 3bqr by Molmil
Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with an imidazo-pyridazine ligand
Descriptor: 4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid, Death-associated protein kinase 3, GLYCEROL, ...
Authors:Filippakopoulos, P, Rellos, P, Fedorov, O, Niesen, F, Pike, A.C.W, Pilka, E.S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2007-12-20
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of Human Death Associated Protein Kinase 3 (DAPK3) in Complex with an Imidazo-Pyridazine Ligand.
To be Published
3BUO
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BU of 3buo by Molmil
Crystal structure of c-Cbl-TKB domain complexed with its binding motif in EGF receptor'
Descriptor: 13-meric peptide from Epidermal growth factor receptor, E3 ubiquitin-protein ligase CBL
Authors:Ng, C, Jackson, R.A, Buschdorf, J.P, Sun, Q, Guy, G.R, Sivaraman, J.
Deposit date:2008-01-03
Release date:2008-02-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for a novel intrapeptidyl H-bond and reverse binding of c-Cbl-TKB domain substrates
Embo J., 27, 2008
4O5I
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BU of 4o5i by Molmil
Crystal structure of broadly neutralizing antibody F045-092 in complex with A/Victoria/361/2011 (H3N2) influenza hemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab F045-092 heavy chain, ...
Authors:Lee, P.S, Wilson, I.A.
Deposit date:2013-12-19
Release date:2014-04-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (6.501 Å)
Cite:Receptor mimicry by antibody F045-092 facilitates universal binding to the H3 subtype of influenza virus.
Nat Commun, 5, 2014
4O55
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BU of 4o55 by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid
Descriptor: (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid, Integrase, SULFATE ION
Authors:Feng, L, Kvaratskhelia, M.
Deposit date:2013-12-19
Release date:2014-07-02
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:A New Class of Multimerization Selective Inhibitors of HIV-1 Integrase.
Plos Pathog., 10, 2014
4O7X
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BU of 4o7x by Molmil
Crystal structure of human ALKBH5 in complex with Mn2+
Descriptor: MANGANESE (II) ION, RNA demethylase ALKBH5
Authors:Feng, C, Chen, Z, Liu, Y.
Deposit date:2013-12-26
Release date:2014-03-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structures of the human RNA demethylase Alkbh5 reveal basis for substrate recognition
J.Biol.Chem., 289, 2014
3C3R
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BU of 3c3r by Molmil
ALIX BRO1 CHMP4C complex
Descriptor: Charged multivesicular body protein 4c peptide, GLYCEROL, Programmed cell death 6-interacting protein
Authors:McCullough, J.B, Fisher, R.D, Whitby, F.G, Sundquist, W.I, Hill, C.P.
Deposit date:2008-01-28
Release date:2008-06-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:ALIX-CHMP4 interactions in the human ESCRT pathway.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3C82
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BU of 3c82 by Molmil
Bacteriophage lysozyme T4 lysozyme mutant K85A/R96H
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme
Authors:Mooers, B.H.M.
Deposit date:2008-02-08
Release date:2009-02-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Contributions of all 20 amino acids at site 96 to the stability and structure of T4 lysozyme.
Protein Sci., 18, 2009
3C4J
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BU of 3c4j by Molmil
ABC protein ArtP in complex with ATP-gamma-S
Descriptor: Amino acid ABC transporter (ArtP), MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Thaben, P.F, Eckey, V, Scheffel, F, Saenger, W, Schneider, E, Vahedi-Faridi, A.
Deposit date:2008-01-30
Release date:2009-02-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystal Structures of the ATP-binding cassette (ABC) Protein ArtP from Geobacillus stearothermophilus in complexes with nucleotides and nucleotide analogs reveal an intermediate semiclosed dimer in the post hydrolyses state and an asymmetry in the dimerisation region
To be Published
4OHN
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BU of 4ohn by Molmil
Crystal structure of an ABC uptake transporter substrate binding protein from Streptococcus pneumoniae with Bound Histidine
Descriptor: ABC transporter substrate-binding protein, ACETATE ION, HISTIDINE
Authors:Brunzelle, J.S, Wawrzak, W, Yim, Y, Kudritska, M, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-01-17
Release date:2015-01-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Crystal structure of an ABC uptake transporter substrate binding protein from Streptococcus pneumoniae with Bound Histidine
To be Published
3C70
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BU of 3c70 by Molmil
HNL from Hevea brasiliensis to atomic resolution
Descriptor: Hydroxynitrilase, SULFATE ION, THIOCYANATE ION
Authors:Schmidt, A.
Deposit date:2008-02-06
Release date:2008-06-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Atomic resolution crystal structures and quantum chemistry meet to reveal subtleties of hydroxynitrile lyase catalysis
J.Biol.Chem., 283, 2008
3C7Y
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BU of 3c7y by Molmil
Mutant R96A OF T4 lysozyme in wildtype background at 298K
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, lysozyme
Authors:Mooers, B.H.M.
Deposit date:2008-02-08
Release date:2009-02-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Contributions of all 20 amino acids at site 96 to the stability and structure of T4 lysozyme.
Protein Sci., 18, 2009
4ONS
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BU of 4ons by Molmil
Structural and thermodynamic characterization of cadherin-beta-catenin-alpha-catenin complex formation
Descriptor: Catenin alpha-2, Catenin beta-1
Authors:Pokutta, S, Choi, H.-J, Ahlsen, G, Hansen, S.D, Weis, W.I.
Deposit date:2014-01-29
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and Thermodynamic Characterization of Cadherin beta-Catenin alpha-Catenin Complex Formation.
J.Biol.Chem., 289, 2014
3BUS
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BU of 3bus by Molmil
Crystal Structure of RebM
Descriptor: Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:McCoy, J.G, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N.
Deposit date:2008-01-03
Release date:2008-03-25
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure and mechanism of the rebeccamycin sugar 4'-O-methyltransferase RebM.
J.Biol.Chem., 283, 2008
4OSN
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BU of 4osn by Molmil
Crystal structure of engineered HCMV glycoprotein B Domain II
Descriptor: Envelope glycoprotein B
Authors:Diestel, U, Muller, Y.A.
Deposit date:2014-02-13
Release date:2014-08-13
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structure of engineered HCMV glycoprotein B Domain II
To be Published
3BX8
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BU of 3bx8 by Molmil
Engineered Human Lipocalin 2 (LCN2), apo-form
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ENGINEERED HUMAN LIPOCALIN 2, PENTAETHYLENE GLYCOL
Authors:Schonfeld, D.L, Chatwell, L, Skerra, A.
Deposit date:2008-01-11
Release date:2009-01-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:High affinity molecular recognition and functional blockade of CTLA-4 by an engineered human lipocalin
To be Published
4OUF
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BU of 4ouf by Molmil
Crystal Structure of CBP bromodomain
Descriptor: 1,2-ETHANEDIOL, CREB-binding protein, DI(HYDROXYETHYL)ETHER
Authors:Roy, S, Das, C, Tyler, J.K, Kutateladze, T.G.
Deposit date:2014-02-17
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Binding of the histone chaperone ASF1 to the CBP bromodomain promotes histone acetylation.
Proc.Natl.Acad.Sci.USA, 111, 2014
4OD9
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BU of 4od9 by Molmil
Structure of Cathepsin D with inhibitor N-(3,4-dimethoxybenzyl)-Nalpha-{N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl}-D-phenylalaninamide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Graedler, U, Czodrowski, P, Tsaklakidis, C, Klein, M, Maskos, K, Leuthner, B.
Deposit date:2014-01-10
Release date:2014-08-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based optimization of non-peptidic Cathepsin D inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
3CR8
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BU of 3cr8 by Molmil
Hexameric APS kinase from Thiobacillus denitrificans
Descriptor: Sulfate adenylyltransferase, adenylylsulfate kinase
Authors:Gay, S.C, Segel, I.H, Fisher, A.J.
Deposit date:2008-04-04
Release date:2009-02-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure of the two-domain hexameric APS kinase from Thiobacillus denitrificans: structural basis for the absence of ATP sulfurylase activity.
Acta Crystallogr.,Sect.D, 65, 2009
4OJJ
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BU of 4ojj by Molmil
Structure of C-terminal domain from S. cerevisiae Pat1 decapping activator (Space group : P212121)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DNA topoisomerase 2-associated protein PAT1, ...
Authors:Fourati-Kammoun, Z, Kolesnikova, O, Back, R, Keller, J, Lazar, N, Gaudon-Plesse, C, Seraphin, B, Graille, M.
Deposit date:2014-01-21
Release date:2014-10-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:The C-terminal domain from S. cerevisiae Pat1 displays two conserved regions involved in decapping factor recruitment.
Plos One, 9, 2014
4OK7
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BU of 4ok7 by Molmil
Structure of bacteriophage SPN1S endolysin from Salmonella typhimurium
Descriptor: Endolysin, GLYCEROL, SULFATE ION
Authors:Park, Y, Lim, J, Kong, M, Ryu, S, Rhee, S.
Deposit date:2014-01-22
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of bacteriophage SPN1S endolysin reveals an unusual two-module fold for the peptidoglycan lytic and binding activity.
Mol.Microbiol., 92, 2014
3CY2
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BU of 3cy2 by Molmil
Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a beta carboline ligand II
Descriptor: (4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Filippakopoulos, P, Bullock, A, Fedorov, O, Huber, K, Bracher, F, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2008-04-25
Release date:2008-07-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:7,8-Dichloro-1-oxo-beta-carbolines as a Versatile Scaffold for the Development of Potent and Selective Kinase Inhibitors with Unusual Binding Modes
J.Med.Chem., 55, 2012
3D30
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BU of 3d30 by Molmil
Structure of an expansin like protein from Bacillus Subtilis at 1.9A resolution
Descriptor: Expansin like protein, FORMIC ACID, GLYCEROL
Authors:Kerff, F, Petrella, S, Herman, R, Sauvage, E, Joris, B, Charlier, P.
Deposit date:2008-05-09
Release date:2008-10-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure and activity of Bacillus subtilis YoaJ (EXLX1), a bacterial expansin that promotes root colonization.
Proc.Natl.Acad.Sci.USA, 105, 2008

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