PDB: 45522 resultsInfo pagesStatus searchChemie searchBIRD

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3VKA	Crystal structure of MoeO5 soaked for 3 hours in FsPP Descriptor: (2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid, MAGNESIUM ION, MoeO5 Authors: Ren, F, Ko, T.-P, Huang, C.-H, Guo, R.-T. Deposit date: 2011-11-11 Release date: 2012-05-09 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.57 Å) Cite: Insights into the mechanism of the antibiotic-synthesizing enzyme MoeO5 from crystal structures of different complexes Angew.Chem.Int.Ed.Engl., 51, 2012
3LPB	Crystal structure of Jak2 complexed with a potent 2,8-diaryl-quinoxaline inhibitor Descriptor: N-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide, Tyrosine-protein kinase JAK2 Authors: Tavares, G.A, Pissot-Soldermann, C, Gerspacher, M, Furet, P, Kroemer, M. Deposit date: 2010-02-05 Release date: 2010-04-28 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2 Å) Cite: Discovery and SAR of potent, orally available 2,8-diaryl-quinoxalines as a new class of JAK2 inhibitors Bioorg.Med.Chem.Lett., 20, 2010
3L9D	The Crystal Structure of smu.1046c from Streptococcus mutans UA159 Descriptor: Putative GTP pyrophosphokinase Authors: Su, X.-D, Huang, Y.H, Liu, X. Deposit date: 2010-01-05 Release date: 2011-01-12 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.484 Å) Cite: The Crystal Structure of smu.1046c from Streptococcus mutans UA159 TO BE PUBLISHED
3VA2	Crystal structure of human Interleukin-5 in complex with its alpha receptor Descriptor: Interleukin-5, Interleukin-5 receptor subunit alpha Authors: Kusano, S, Kukimoto-Niino, M, Shirouzu, M, Yokoyama, S. Deposit date: 2011-12-28 Release date: 2012-07-25 Method: X-RAY DIFFRACTION (2.703 Å) Cite: Structural basis of interleukin-5 dimer recognition by its alpha receptor Protein Sci., 21, 2012
3VHD	Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor, CH5164840 Descriptor: 4-amino-18,20-dimethyl-7-thia-3,5,11,15-tetraazatricyclo[15.3.1.1(2,6)]docosa-1(20),2,4,6(22),17(21),18-hexaene-10,16-dione, Heat shock protein HSP 90-alpha Authors: Fukami, T.A, Ono, N. Deposit date: 2011-08-24 Release date: 2012-07-18 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.52 Å) Cite: Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors Bioorg.Med.Chem.Lett., 22, 2012
3VKB	Crystal structure of MoeO5 soaked with FsPP overnight Descriptor: CHLORIDE ION, MAGNESIUM ION, MoeO5, ... Authors: Ren, F, Ko, T.-P, Huang, C.-H, Guo, R.-T. Deposit date: 2011-11-11 Release date: 2012-05-09 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Insights into the mechanism of the antibiotic-synthesizing enzyme MoeO5 from crystal structures of different complexes Angew.Chem.Int.Ed.Engl., 51, 2012
3VF9	Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Thienopyrazolylindole Inhibitor 027 Descriptor: 3-{2-[5-(difluoromethyl)-2H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}pentan-3-ol, Tyrosine-protein kinase SYK Authors: McLean, L.R, Zhang, Y. Deposit date: 2012-01-09 Release date: 2012-05-02 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.3 Å) Cite: X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase. Bioorg.Med.Chem.Lett., 22, 2012
3LIC	Crystal Structure of the extracellular domain of the putative histidine kinase soHK1S-Z6 Descriptor: 1,2-ETHANEDIOL, Sensor protein Authors: Zhang, Z, Hendrickson, W.A. Deposit date: 2010-01-24 Release date: 2010-05-05 Last modified: 2017-11-01 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural characterization of the predominant family of histidine kinase sensor domains. J.Mol.Biol., 400, 2010
3VQ1	Crystal structure of mouse TLR4/MD-2/lipid IVa complex Descriptor: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Ohto, U, Shimizu, T. Deposit date: 2012-03-17 Release date: 2012-05-09 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Structural basis of species-specific endotoxin sensing by innate immune receptor TLR4/MD-2 Proc.Natl.Acad.Sci.USA, 109, 2012
3VIB	Structural basis for multidrug recognition and antimicrobial resistance by MTRR, an efflux pump regulator from Neisseria Gonorrhoeae Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, MtrR, PHOSPHATE ION Authors: Kumaraswami, M, Shafer, W.M, Brennan, R.G. Deposit date: 2011-09-27 Release date: 2012-10-03 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structural basis for multidrug recognitionand antimicrobial resistance by MTRR, an efflux pump regulator from Neisseria Gonorrhoeae TO BE PUBLISHED
3LIB	Crystal Structure of the extracellular domain of the putative histidine kinase mmHK1S-Z3 Descriptor: Hypothetical sensory transduction histidine kinase, POTASSIUM ION Authors: Zhang, Z, Hendrickson, W.A. Deposit date: 2010-01-24 Release date: 2010-05-05 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.99 Å) Cite: Structural characterization of the predominant family of histidine kinase sensor domains. J.Mol.Biol., 400, 2010
3LKS	Crystal Structure of HLA B*3501 in complex with influenza NP418 epitope from 1980 strain Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ... Authors: Gras, S, Kedzierski, L, Valkenburg, S.A, Liu, Y.C, Denholm, J, Richards, M, Rimmelzwaan, G.F, Doherty, P.C, Turner, S.J, Rossjohn, J, Kedzierska, K. Deposit date: 2010-01-27 Release date: 2010-07-07 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Cross-reactive CD8+ T-cell immunity between the pandemic H1N1-2009 and H1N1-1918 influenza A viruses. Proc.Natl.Acad.Sci.USA, 107, 2010
3VUY	Crystal structure of A20 ZF7 in complex with linear tetraubiquitin Descriptor: POTASSIUM ION, Polyubiquitin-C, Tumor necrosis factor alpha-induced protein 3, ... Authors: Nishimasu, H, Ishitani, R, Nureki, O. Deposit date: 2012-07-09 Release date: 2013-02-13 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.981 Å) Cite: Specific recognition of linear polyubiquitin by A20 zinc finger 7 is involved in NF-kappaB regulation Embo J., 31, 2012
3L6H	Crystal structure of lactococcal OpuAC in its closed-liganded conformation complexed with glycine betaine Descriptor: Betaine ABC transporter permease and substrate binding protein, CHLORIDE ION, TRIMETHYL GLYCINE Authors: Berntsson, R.P.A, Wolters, J.C, Gul, N, Karasawa, A, Thunnissen, A.M.W.H, Slotboom, D.J, Poolman, B. Deposit date: 2009-12-23 Release date: 2010-05-19 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Ligand binding and crystal structures of the substrate-binding domain of the ABC transporter OpuA. Plos One, 5, 2010
3LRB	Structure of E. coli AdiC Descriptor: Arginine/agmatine antiporter Authors: Gao, X, Lu, F, Zhou, L, Shi, Y. Deposit date: 2010-02-10 Release date: 2010-02-23 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (3.61 Å) Cite: Structure and mechanism of an amino acid antiporter Science, 324, 2009
3L7N	Crystal structure of SMU.1228c Descriptor: Putative uncharacterized protein Authors: Fan, X.-X, Wang, K.-T, Su, X.-D. Deposit date: 2009-12-29 Release date: 2010-12-29 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Crystal structure of SMU.1228c TO BE PUBLISHED
3VQ5	HIV-1 IN core domain in complex with N-METHYL-1-(4-METHYL-2-PHENYL-1,3-THIAZOL-5-YL)METHANAMINE Descriptor: CADMIUM ION, CHLORIDE ION, N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine, ... Authors: Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. Deposit date: 2012-03-20 Release date: 2013-01-30 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
3LBY	Crystal structure of SMU.1697c, a putative methyltransferase from streptococcus mutans in complex with SAH Descriptor: Putative uncharacterized protein SMU.1697c, S-ADENOSYL-L-HOMOCYSTEINE Authors: Wang, K.-T, Nan, J, Su, X.-D. Deposit date: 2010-01-08 Release date: 2011-01-12 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of SMU.1697c, a putative methyltransferase from streptococcus mutans in complex with SAH To be published
3VVP	Crystal structure of MATE in complex with Br-NRF Descriptor: 6-bromo-1-ethyl-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid, Putative uncharacterized protein Authors: Tanaka, Y, Ishitani, R, Nureki, O. Deposit date: 2012-07-27 Release date: 2013-04-03 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.91 Å) Cite: Structural basis for the drug extrusion mechanism by a MATE multidrug transporter. Nature, 496, 2013
3LPT	HIV integrase Descriptor: (6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid, 2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol, CALCIUM ION, ... Authors: Nicolet, S, Christ, F, Voet, A, Marchand, A, Strelkov, S.V, de Maeyer, M, Chaltin, P, Debyzer, Z. Deposit date: 2010-02-05 Release date: 2010-05-12 Last modified: 2021-11-10 Method: X-RAY DIFFRACTION (2 Å) Cite: Rational design of small-molecule inhibitors of the LEDGF/p75-integrase interaction and HIV replication. Nat.Chem.Biol., 6, 2010
3LR0	Periplasmic domain of the risS sensor protein from Burkholderia pseudomallei, iodide phased at low pH Descriptor: IODIDE ION, Sensor protein Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2010-02-10 Release date: 2010-06-16 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural basis for pH sensing by the periplasmic domain of the risS histidine kinase from Bukholderia pseudomallei To be Published
3V8T	Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 477 Descriptor: 3-{2-[5-(difluoromethyl)-2H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK Authors: McLean, L.R, Zhang, Y. Deposit date: 2011-12-23 Release date: 2012-05-02 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2 Å) Cite: X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase. Bioorg.Med.Chem.Lett., 22, 2012
3LVB	Crystal structure of the Ferredoxin:NADP+ reductase from maize root at 1.7 angstroms - Test Set Withheld Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin-NADP reductase Authors: Faber, H.R, Karplus, P.A, Aliverti, A, Ferioli, C, Spinola, M. Deposit date: 2010-02-19 Release date: 2010-03-16 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Biochemical and crystallographic characterization of ferredoxin-NADP(+) reductase from nonphotosynthetic tissues Biochemistry, 40, 2001
3LPU	HIV integrase Descriptor: (2S)-2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid, 2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol, CALCIUM ION, ... Authors: Nicolet, S, Christ, F, Voet, A, Marchand, A, Strelkov, S.V, de Maeyer, M, Chaltin, P, Debyzer, Z. Deposit date: 2010-02-06 Release date: 2010-05-12 Last modified: 2021-11-10 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Rational design of small-molecule inhibitors of the LEDGF/p75-integrase interaction and HIV replication. Nat.Chem.Biol., 6, 2010
3LQU	Crystal structure of 3,4-Dihydroxy-2-butanone 4-phosphate synthase complexed with Ribulose-5 phosphate Descriptor: 3,4-dihydroxy-2-butanone 4-phosphate synthase, 5-O-phosphono-D-xylulose Authors: Kumar, P, Karthikeyan, S. Deposit date: 2010-02-10 Release date: 2010-09-15 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.522 Å) Cite: Potential anti-bacterial drug target: structural characterization of 3,4-dihydroxy-2-butanone-4-phosphate synthase from Salmonella typhimurium LT2. Proteins, 78, 2010

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