PDB: 19260 resultsInfo pagesStatus searchChemie searchBIRD

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3UVP	Human p38 MAP Kinase in Complex with a Benzamide Substituted Benzosuberone Descriptor: Mitogen-activated protein kinase 14, N-{2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}benzamide, octyl beta-D-glucopyranoside Authors: Mayer-Wrangowski, S.C, Richters, A, Gruetter, C, Rauh, D. Deposit date: 2011-11-30 Release date: 2012-11-07 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Targeting the Hinge Glycine Flip and the Activation Loop: Novel Approach to Potent p38 alpha Inhibitors. J.Med.Chem., 55, 2012
3UW1	Crystal structure of ribose-5-phosphate isomerase a from burkholderia thailandensis with ribose-5-phosphate Descriptor: RIBOSE-5-PHOSPHATE, Ribose-5-phosphate isomerase A Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2011-11-30 Release date: 2011-12-21 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.71 Å) Cite: Combining functional and structural genomics to sample the essential Burkholderia structome. Plos One, 8, 2013
3UQU	Crystal structure of BACE1 with its inhibitor Descriptor: Beta-secretase 1, CHLORIDE ION, N-[(1R)-1-(4-fluorophenyl)ethyl]-N'-[(2S,3S)-3-hydroxy-1-phenyl-4-(1H-pyrazol-1-yl)butan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide, ... Authors: Chen, T.T, Chen, W.Y, Xu, Y.C. Deposit date: 2011-11-21 Release date: 2012-11-21 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Flexibility of the Flap in the Active Site of BACE1 as Revealed by Crystal Structures and MD simulations to be published
3V51	Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor RM-1-176 Descriptor: 3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 Authors: Merritt, E.A, Larson, E.T. Deposit date: 2011-12-15 Release date: 2012-03-14 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012
3V5J	Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 090 Descriptor: 3-[4-(2-morpholin-4-ylethoxy)-2-(1~{H}-thieno[3,2-c]pyrazol-3-yl)-1~{H}-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK Authors: McLean, L.R, Zhang, Y. Deposit date: 2011-12-16 Release date: 2012-05-02 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.59 Å) Cite: X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase. Bioorg.Med.Chem.Lett., 22, 2012
3V5P	Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1288 Descriptor: 3-(4-methoxy-3-methylphenyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 Authors: Merritt, E.A, Larson, E.T. Deposit date: 2011-12-16 Release date: 2012-03-14 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012
3UW2	X-ray Crystal Structure of Phosphoglucomutase/phosphomannomutase family protein (BTH_I1489)from Burkholderia thailandensis Descriptor: 1,2-ETHANEDIOL, GLYCEROL, PHOSPHATE ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2011-11-30 Release date: 2012-02-01 Last modified: 2013-10-23 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Combining functional and structural genomics to sample the essential Burkholderia structome. Plos One, 8, 2013
3V60	Structure of S. cerevisiae PCNA conjugated to SUMO on lysine 164 Descriptor: Proliferating cell nuclear antigen, SULFATE ION, Ubiquitin-like protein SMT3 Authors: Armstrong, A.A, Mohideen, F, Lima, C.D. Deposit date: 2011-12-18 Release date: 2012-02-29 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Recognition of SUMO-modified PCNA requires tandem receptor motifs in Srs2. Nature, 483, 2012
3UWS	Crystal structure of a clostripain (PARMER_00083) from Parabacteroides merdae ATCC 43184 at 1.70 A resolution Descriptor: 1,2-ETHANEDIOL, hypothetical protein Authors: Joint Center for Structural Genomics (JCSG) Deposit date: 2011-12-02 Release date: 2012-06-13 Last modified: 2023-02-01 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystal Structure and Activity Studies of the C11 Cysteine Peptidase from Parabacteroides merdae in the Human Gut Microbiome. J.Biol.Chem., 291, 2016
3SX8	Crystal structure of ABBA+UDP+Gal with MPD as the cryoprotectant Descriptor: DI(HYDROXYETHYL)ETHER, Histo-blood group ABO system transferase, MANGANESE (II) ION, ... Authors: Johal, A.R, Evans, S.V. Deposit date: 2011-07-14 Release date: 2012-02-29 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.47 Å) Cite: Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases. Acta Crystallogr.,Sect.D, 68, 2012
3SXE	Crystal structure of AAAA+UDP+Gal with Glycerol as the cryoprotectant Descriptor: Histo-blood group ABO system transferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ... Authors: Johal, A.R, Evans, S.V. Deposit date: 2011-07-14 Release date: 2012-02-29 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.49 Å) Cite: Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases. Acta Crystallogr.,Sect.D, 68, 2012
3SS6	Crystal structure of the Bacillus anthracis acetyl-CoA acetyltransferase Descriptor: Acetyl-CoA acetyltransferase, POTASSIUM ION, SULFATE ION Authors: Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Peterson, S.N, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2011-07-07 Release date: 2011-07-20 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystal structure of the Bacillus anthracis acetyl-CoA acetyltransferase TO BE PUBLISHED
3SYP	Crystal structure of the G protein-gated inward rectifier K+ channel GIRK2 (Kir3.2) R201A mutant Descriptor: G protein-activated inward rectifier potassium channel 2, POTASSIUM ION Authors: Whorton, M.R, MacKinnon, R. Deposit date: 2011-07-18 Release date: 2011-10-12 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (3.12 Å) Cite: Crystal Structure of the Mammalian GIRK2 K(+) Channel and Gating Regulation by G Proteins, PIP(2), and Sodium. Cell(Cambridge,Mass.), 147, 2011
3STC	Crystal structure of loop 7 truncated mutant of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis Descriptor: 2-dehydro-3-deoxyphosphooctonate aldolase, CHLORIDE ION, SODIUM ION Authors: Allison, T.M, Jameson, G.B, Parker, E.J. Deposit date: 2011-07-09 Release date: 2011-11-23 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.91 Å) Cite: An Extended (beta)7(alpha)7 Substrate-Binding Loop Is Essential for Efficient Catalysis by 3-Deoxy-D-manno-Octulosonate 8-Phosphate Synthase Biochemistry, 50, 2011
3STW	Crystal Structure of tomato Methylketone Synthase I complexed with 2-tridecanone Descriptor: Methylketone synthase 1, tridec-12-en-2-one Authors: Auldridge, M.E, Austin, M.B, Noel, J.P. Deposit date: 2011-07-11 Release date: 2012-05-02 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.31 Å) Cite: Emergent Decarboxylase Activity and Attenuation of alpha/beta-Hydrolase Activity during the Evolution of Methylketone Biosynthesis in Tomato. Plant Cell, 24, 2012
3T00	Crystal Structure of Phosphonoacetate hydrolase from Sinorhizobium meliloti 1021 in complex with vanadate Descriptor: NICKEL (II) ION, VANADATE ION, ZINC ION, ... Authors: Agarwal, V, Nair, S.K. Deposit date: 2011-07-19 Release date: 2011-08-03 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structural and mechanistic insights into C-p bond hydrolysis by phosphonoacetate hydrolase. Chem.Biol., 18, 2011
3SY3	GBAA_1210 protein, a putative adenylate cyclase, from Bacillus anthracis Descriptor: GBAA_1210 protein, PHOSPHATE ION Authors: Osipiuk, J, Gu, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2011-07-15 Release date: 2011-07-27 Last modified: 2017-11-08 Method: X-RAY DIFFRACTION (2.14 Å) Cite: GBAA_1210 protein, a putative adenylate cyclase, from Bacillus anthracis. To be Published
3SYO	Crystal structure of the G protein-gated inward rectifier K+ channel GIRK2 (Kir3.2) in complex with sodium Descriptor: G protein-activated inward rectifier potassium channel 2, POTASSIUM ION, SODIUM ION Authors: Whorton, M.R, MacKinnon, R. Deposit date: 2011-07-18 Release date: 2011-10-12 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (3.54 Å) Cite: Crystal Structure of the Mammalian GIRK2 K(+) Channel and Gating Regulation by G Proteins, PIP(2), and Sodium. Cell(Cambridge,Mass.), 147, 2011
3T6C	Crystal structure of an enolase from pantoea ananatis (efi target efi-501676) with bound d-gluconate and mg Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, D-gluconic acid, ... Authors: Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) Deposit date: 2011-07-28 Release date: 2011-08-31 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.598 Å) Cite: Crystal structure of an enolase from pantoea ananatis (efi target efi-501676) with bound d-gluconate and mg to be published
3T8U	Crystal structure of ketosteroid isomerase Y14AY55FD99A from Pseudomonas testosteroni Descriptor: SULFATE ION, Steroid Delta-isomerase Authors: Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D. Deposit date: 2011-08-01 Release date: 2011-11-23 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Evaluating the catalytic contribution from the oxyanion hole in ketosteroid isomerase. J.Am.Chem.Soc., 133, 2011
3T27	Orthorhombic trypsin (bovine) in the presence of betaine Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... Authors: Venkat, M, Saxby, C, Cahn, J, Juers, D. Deposit date: 2011-07-22 Release date: 2011-12-28 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.95 Å) Cite: The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography. Acta Crystallogr.,Sect.D, 68, 2012
3TAW	Crystal structure of a putative glycoside hydrolase (BDI_3141) from Parabacteroides distasonis ATCC 8503 at 1.70 A resolution Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Hypothetical glycoside hydrolase, ... Authors: Joint Center for Structural Genomics (JCSG) Deposit date: 2011-08-04 Release date: 2011-08-24 Last modified: 2023-02-01 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystal structure of a Hypothetical glycoside hydrolase (BDI_3141) from Parabacteroides distasonis ATCC 8503 at 1.70 A resolution To be published
3T55	Crystal structure of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS) in complex with Phenoxymethyl Benzoic Acid (PMBA) Descriptor: 3-(phenoxymethyl)benzoic acid, Indole-3-glycerol phosphate synthase, MALONATE ION, ... Authors: Reddy, M.C.M, Bruning, J.B, Thurman, C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) Deposit date: 2011-07-26 Release date: 2012-08-08 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.06 Å) Cite: Structural Insights and Inhibition of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS): an Essential Enzyme for Tryptophan Biosynthesis To be Published
3TBJ	The 1.7A crystal structure of Actibind a T2 ribonucleases as antitumorigenic agents Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Almog, O, Gonzalez, A. Deposit date: 2011-08-07 Release date: 2012-08-22 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (1.8 Å) Cite: The 1.8 A crystal structure of ACTIBIND suggests a mode of action for T2 ribonucleases as antitumorigenic agents. J.Med.Chem., 55, 2012
3SOX	Structure of UHRF1 PHD finger in the free form Descriptor: E3 ubiquitin-protein ligase UHRF1, ZINC ION Authors: Rajakumara, E, Patel, D.J. Deposit date: 2011-06-30 Release date: 2011-08-03 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.6501 Å) Cite: PHD Finger Recognition of Unmodified Histone H3R2 Links UHRF1 to Regulation of Euchromatic Gene Expression. Mol.Cell, 43, 2011

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