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2FSO	mitogen activated protein kinase p38alpha (D176A) activating mutant Descriptor: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside Authors: Diskin, R, Livnah, O. Deposit date: 2006-01-23 Release date: 2006-12-05 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (1.83 Å) Cite: Structures of p38alpha Active Mutants Reveal Conformational Changes in L16 Loop that Induce Autophosphorylation and Activation J.Mol.Biol., 365, 2007
2FSL	mitogen activated protein kinase p38alpha (D176A+F327S) activating mutant form-A Descriptor: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside Authors: Diskin, R, Livnah, O. Deposit date: 2006-01-23 Release date: 2006-12-05 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structures of p38alpha Active Mutants Reveal Conformational Changes in L16 Loop that Induce Autophosphorylation and Activation J.Mol.Biol., 365, 2007
3EFX	Novel binding site identified in a hybrid between cholera toxin and heat-labile enterotoxin, 1.9A crystal structure reveals the details Descriptor: Cholera enterotoxin subunit B, Heat-labile enterotoxin B chain, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]beta-D-glucopyranose Authors: Holmner, A, Lebens, M, Teneberg, S, Angstrom, J, Okvist, M, Krengel, U. Deposit date: 2008-09-10 Release date: 2008-09-23 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Novel binding site identified in a hybrid between cholera toxin and heat-labile enterotoxin: 1.9 A crystal structure reveals the details Structure, 12, 2004
3ECM	Crystal structure of the unliganded PDE8A catalytic domain Descriptor: High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ZINC ION Authors: Wang, H, Yan, Z, Yang, S, Cai, J, Robinson, H, Ke, H. Deposit date: 2008-09-01 Release date: 2008-11-25 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Kinetic and structural studies of phosphodiesterase-8A and implication on the inhibitor selectivity Biochemistry, 47, 2008
3FAS	X-ray structure of iGluR4 flip ligand-binding core (S1S2) in complex with (S)-glutamate at 1.40A resolution Descriptor: GLUTAMIC ACID, GLYCEROL, Glutamate receptor 4, ... Authors: Kasper, C, Frydenvang, K, Naur, P, Gajhede, M, Kastrup, J.S. Deposit date: 2008-11-18 Release date: 2008-12-09 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Molecular mechanism of agonist recognition by the ligand-binding core of the ionotropic glutamate receptor 4 Febs Lett., 582, 2008
3G10	Structure of S. pombe Pop2p - Mg2+ and Mn2+ bound form Descriptor: CCR4-Not complex subunit Caf1, MAGNESIUM ION, MANGANESE (II) ION Authors: Andersen, K.R, Jonstrup, A.T, Van, L.B, Brodersen, D.E. Deposit date: 2009-01-29 Release date: 2009-03-31 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.597 Å) Cite: The activity and selectivity of fission yeast Pop2p are affected by a high affinity for Zn2+ and Mn2+ in the active site Rna, 15, 2009
3G0Z	Structure of S. pombe Pop2p - Zn2+ and Mn2+ bound form Descriptor: CCR4-Not complex subunit Caf1, MANGANESE (II) ION, ZINC ION Authors: Andersen, K.R, Jonstrup, A.T, Van, L.B, Brodersen, D.E. Deposit date: 2009-01-29 Release date: 2009-03-31 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.004 Å) Cite: The activity and selectivity of fission yeast Pop2p are affected by a high affinity for Zn2+ and Mn2+ in the active site Rna, 15, 2009
3G6W	Asymetric GTP bound structure of UPRTase from Sulfolobus solfataricus containing PRPP-mg2+ in half of the active sites and R5P and PPi in the other half Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 5-O-phosphono-alpha-D-ribofuranose, GUANOSINE-5'-TRIPHOSPHATE, ... Authors: Kadziola, A, Christoffersen, S. Deposit date: 2009-02-09 Release date: 2009-09-01 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Structural and kinetic studies of the allosteric transition in Sulfolobus solfataricus uracil phosphoribosyltransferase: Permanent activation by engineering of the C-terminus J.Mol.Biol., 393, 2009
3GJC	Crystal Structure of the E290S mutant of LeuT with bound OG Descriptor: LEUCINE, SODIUM ION, Transporter, ... Authors: Winther, A.M.L, Quick, M, Javitch, J.A, Nissen, P. Deposit date: 2009-03-08 Release date: 2009-04-28 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Binding of an octylglucoside detergent molecule in the second substrate (S2) site of LeuT establishes an inhibitor-bound conformation Proc.Natl.Acad.Sci.USA, 106, 2009
3ECN	Crystal structure of PDE8A catalytic domain in complex with IBMX Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ... Authors: Wang, H, Yan, Z, Yang, S, Cai, J, Robinson, H, Ke, H. Deposit date: 2008-09-01 Release date: 2008-11-25 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Kinetic and structural studies of phosphodiesterase-8A and implication on the inhibitor selectivity Biochemistry, 47, 2008
3H6X	Crystal structure of dUTPase from Streptococcus mutans Descriptor: dUTPase Authors: Li, G.L, Wang, K.T, Liu, X, Li, L.F, Su, X.D. Deposit date: 2009-04-24 Release date: 2010-05-05 Last modified: 2018-05-23 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structure and activity analysis of dUTP nucleotidohydrolase from Streptococcus mutans To be Published
3FAT	X-ray structure of iGluR4 flip ligand-binding core (S1S2) in complex with (S)-AMPA at 1.90A resolution Descriptor: (S)-ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID, ACETIC ACID, GLYCEROL, ... Authors: Kasper, C, Frydenvang, K, Naur, P, Gajhede, M, Kastrup, J.S. Deposit date: 2008-11-18 Release date: 2008-12-09 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Molecular mechanism of agonist recognition by the ligand-binding core of the ionotropic glutamate receptor 4 Febs Lett., 582, 2008
3DHZ	Apo (iron free) structure of C. ammoniagenes R2 protein Descriptor: FE (II) ION, Ribonucleotide reductase subunit R2F Authors: Hogbom, M, Nordlund, P. Deposit date: 2008-06-19 Release date: 2008-07-01 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.63 Å) Cite: Structural and mutational studies of the carboxylate cluster in Iron-free Ribonucleotide Reductase R2. Biochemistry, 43, 2004
3DTG	Structural analysis of mycobacterial branched chain aminotransferase- implications for inhibitor design Descriptor: Branched-chain amino acid aminotransferase, GLYCEROL, O-benzylhydroxylamine, ... Authors: Castell, A, Unge, T. Deposit date: 2008-07-15 Release date: 2009-06-23 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural analysis of mycobacterial branched chain aminotransferase - implications for inhibitor design To be Published
3HHC	Interferon-lambda is functionally an interferon but structurally related to the IL-10 family Descriptor: IODIDE ION, Interleukin-28B Authors: Gad, H.H, Hamming, O.J, Hartmann, R. Deposit date: 2009-05-15 Release date: 2009-07-21 Last modified: 2018-01-24 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Interferon-{lambda} Is Functionally an Interferon but Structurally Related to the Interleukin-10 Family J.Biol.Chem., 284, 2009
3HFO	Crystal Structure of an Hfq protein from Synechocystis sp. Descriptor: Ssr3341 protein Authors: Boggild, A, Overgaard, M, Valentin-Hansen, P, Brodersen, D.E. Deposit date: 2009-05-12 Release date: 2009-07-14 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Cyanobacteria contain a structural homologue of the Hfq protein with altered RNA-binding properties. Febs J., 276, 2009
3EEO	M. HhaI co-crystallized with synthetic dsDNA containing a propane diol in place of the deoxycytidine residue targeted for methylation. Descriptor: 5'-D(P*DCP*DCP*DAP*DTP*DGP*DCP*DGP*DCP*DTP*DGP*DAP*DC)-3', 5'-D(P*DGP*DTP*DCP*DAP*DGP*(PDI)P*DGP*DCP*DAP*DTP*DGP*DG)-3', Modification methylase HhaI, ... Authors: Porta, J.C, Christman, J.K, Borgstahl, G.E.O. Deposit date: 2008-09-05 Release date: 2010-03-02 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.94 Å) Cite: M. HhaI co-crystallized with synthetic dsDNA containing a propane diol in place of the deoxycytidine residue targeted for methylation. To be Published
2Q2Z	Crystal Structure of KSP in Complex with Inhibitor 22 Descriptor: 1-[(4R)-4-[3-(4-ACETYLPIPERAZIN-1-YL)PROPYL]-1-(2-FLUORO-5-METHYLPHENYL)-4-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-3-YL]ETHANONE, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... Authors: Yan, Y. Deposit date: 2007-05-29 Release date: 2007-09-18 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (3 Å) Cite: Kinesin spindle protein (KSP) inhibitors. Part 8: Design and synthesis of 1,4-diaryl-4,5-dihydropyrazoles as potent inhibitors of the mitotic kinesin KSP. Bioorg.Med.Chem.Lett., 17, 2007
2GM2	NMR structure of Xanthomonas campestris XCC1710: Northeast Structural Genomics Consortium target XcR35 Descriptor: conserved hypothetical protein Authors: Cort, J.R, Xiao, R, Wang, D.Y, Ma, L.C, Ciano, M, Montelione, G.T, Ramelot, T.A, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) Deposit date: 2006-04-05 Release date: 2006-04-25 Last modified: 2024-05-29 Method: SOLUTION NMR Cite: NMR structure of Xanthomonas campestris XCC1710 protein To be Published
4YT4	Iron guanylylpyridinol (FeGP) cofactor-reconstituted HmdII from Methanocaldococcus jannaschii Descriptor: H(2)-forming methylenetetrahydromethanopterin dehydrogenase-related protein MJ1338, iron-guanylyl pyridinol cofactor Authors: Fujishiro, T, Ermler, U, Shima, S. Deposit date: 2015-03-17 Release date: 2015-07-01 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Towards a functional identification of catalytically inactive [Fe]-hydrogenase paralogs. Febs J., 282, 2015
3ICR	Crystal structure of oxidized Bacillus anthracis CoADR-RHD Descriptor: COENZYME A, Coenzyme A-Disulfide Reductase, FLAVIN-ADENINE DINUCLEOTIDE Authors: Wallen, J.R, Claiborne, A. Deposit date: 2009-07-18 Release date: 2009-11-17 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal structure and catalytic properties of Bacillus anthracis CoADR-RHD: implications for flavin-linked sulfur trafficking. Biochemistry, 48, 2009
3WR1	Crystal structure of Cormorant (Phalacrocorax carbo) hemoglobin Descriptor: Hemoglobin subunit alpha-A, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE Authors: Jagadeesan, G, Vinodh Kumar, V, Peters, H.G, Malathy, P, Harikrishna Etti, S, Gunasekaran, K, Aravindhan, S. Deposit date: 2014-02-09 Release date: 2014-03-05 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (3.5 Å) Cite: Crystal structure of Cormorant (Phalacrocorax carbo) hemoglobin To be Published
4AA4	P38ALPHA MAP KINASE BOUND TO CMPD 22 Descriptor: MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]PHENYL]FURAN-3-CARBOXAMIDE Authors: Gerhardt, S, Hargreaves, D. Deposit date: 2011-11-30 Release date: 2012-05-16 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.3 Å) Cite: The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases Bioorg.Med.Chem.Lett., 22, 2012
4A9Y	P38ALPHA MAP KINASE BOUND TO CMPD 8 Descriptor: MITOGEN-ACTIVATED PROTEIN KINASE 14, N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE Authors: Gerhardt, S, Hargreaves, D. Deposit date: 2011-11-29 Release date: 2012-05-16 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.2 Å) Cite: The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases Bioorg.Med.Chem.Lett., 22, 2012
4AA0	P38ALPHA MAP KINASE BOUND TO CMPD 2 Descriptor: MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide Authors: Gerhardt, S, Hargreaves, D. Deposit date: 2011-11-30 Release date: 2012-05-16 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.8 Å) Cite: The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases Bioorg.Med.Chem.Lett., 22, 2012

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