PDB: 19326 件ウェブページステータス検索Chemie searchBIRD

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4BC1	Structure of mouse acetylcholinesterase inhibited by CBDP (30-min soak): cresyl-saligenin-phosphoserine adduct 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, CHLORIDE ION, ... 著者 Carletti, E, Colletier, J.-P, Schopfer, L.M, Santoni, G, Masson, P, Lockridge, O, Nachon, F, Weik, M. 登録日 2012-09-30 公開日 2013-02-06 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.95 Å) 主引用文献 Inhibition Pathways of the Potent Organophosphate Cbdp with Cholinesterases Revealed by X-Ray Crystallographic Snapshots and Mass Spectrometry Chem.Res.Toxicol., 26, 2013
4B80	Mus musculus Acetylcholinesterase in complex with N-(2-Diethylamino-ethyl)-1-(4-fluoro-phenyl)-methanesulfonamide 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... 著者 Andersson, C.D, Forsgren, N, Akfur, C, Allgardsson, A, Berg, L, Qian, W, Ekstrom, F, Linusson, A. 登録日 2012-08-24 公開日 2013-09-04 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Divergent structure-activity relationships of structurally similar acetylcholinesterase inhibitors. J. Med. Chem., 56, 2013
3ZO1	The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors 分子名称: 6-(1,9-DIAZASPIRO[5.5]UNDECAN-9-YL)-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ... 著者 Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I. 登録日 2013-02-20 公開日 2013-03-06 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases. Bioorg. Med. Chem., 21, 2013
4HE0	Crystal structure of human muscle fructose-1,6-bisphosphatase 分子名称: CHLORIDE ION, Fructose-1,6-bisphosphatase isozyme 2, MAGNESIUM ION, ... 著者 Shi, R, Zhu, D.W, Lin, S.X. 登録日 2012-10-03 公開日 2013-10-09 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.69 Å) 主引用文献 Crystal Structures of Human Muscle Fructose-1,6-Bisphosphatase: Novel Quaternary States, Enhanced AMP Affinity, and Allosteric Signal Transmission Pathway. Plos One, 8, 2013
3ZW6	MODEL OF HEXAMERIC AAA DOMAIN ARRANGEMENT OF GREEN-TYPE RUBISCO ACTIVASE FROM TOBACCO. 分子名称: RIBULOSE BISPHOSPHATE CARBOXYLASE/OXYGENASE ACTIVASE 1, CHLOROPLASTIC 著者 Stotz, M, Mueller-Cajar, O, Ciniawsky, S, Wendler, P, Hartl, F.U, Bracher, A, Hayer-Hartl, M. 登録日 2011-07-28 公開日 2011-11-09 最終更新日 2024-05-08 実験手法 ELECTRON MICROSCOPY (20 Å) 主引用文献 Structure of Green-Type Rubisco Activase from Tobacco Nat.Struct.Mol.Biol., 18, 2011
4B83	Mus musculus Acetylcholinesterase in complex with N-(2-Diethylamino- ethyl)-3-methoxy-benzenesulfonamide 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ... 著者 Andersson, C.D, Forsgren, N, Akfur, C, Allgardsson, A, Berg, L, Qian, W, Ekstrom, F, Linusson, A. 登録日 2012-08-24 公開日 2013-09-04 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors. J.Med.Chem., 56, 2013
4CE4	39S large subunit of the porcine mitochondrial ribosome 分子名称: 16S Ribosomal RNA, ICT1, MRPL13, ... 著者 Greber, B.J, Boehringer, D, Leitner, A, Bieri, P, Voigts-Hoffmann, F, Erzberger, J.P, Leibundgut, M, Aebersold, R, Ban, N. 登録日 2013-11-08 公開日 2013-12-18 最終更新日 2024-05-08 実験手法 ELECTRON MICROSCOPY (4.9 Å) 主引用文献 Architecture of the Large Subunit of the Mammalian Mitochondrial Ribosome. Nature, 505, 2014
4C38	PKA-S6K1 Chimera with compound 21e (CCT239066) bound 分子名称: 4-(1-ethyl-6-methyl-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR PEPTIDE, ... 著者 Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. 登録日 2013-08-21 公開日 2013-10-09 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design. Oncotarget, 4, 2013
4D8C	Crystal Structure of Human Beta Secretase in Complex with NVP-BXD552, derived from a co-crystallization experiment 分子名称: (3S,4S,5R)-3-(4-amino-3-{[(2R)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy}-5-fluorobenzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1, SULFATE ION 著者 Rondeau, J.M, Bourgier, E. 登録日 2012-01-10 公開日 2012-11-21 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides J.Med.Chem., 55, 2012
4D8Y	Crystal structure of the hexameric purine nucleoside phosphorylase from Bacillus subtilis in space group P212121 at pH 5.6 分子名称: GLYCEROL, Purine nucleoside phosphorylase deoD-type, SULFATE ION 著者 Santos, C.R, Meza, A.N, Martins, N.H, Giuseppe, P.O, Murakami, M.T. 登録日 2012-01-11 公開日 2012-09-26 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 Insights into phosphate cooperativity and influence of substrate modifications on binding and catalysis of hexameric purine nucleoside phosphorylases. Plos One, 7, 2012
4DA1	Crystal structure of branched-chain alpha-ketoacid dehydrogenase phosphatase with Mg (II) ions at the active site 分子名称: BETA-MERCAPTOETHANOL, MAGNESIUM ION, Protein phosphatase 1K, ... 著者 Brautigam, C.A, Chuang, J.L, Chuang, D.T. 登録日 2012-01-12 公開日 2012-02-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.383 Å) 主引用文献 Structural and biochemical characterization of human mitochondrial branched-chain alpha-ketoacid dehydrogenase phosphatase. J.Biol.Chem., 287, 2012
4D8X	Crystal structure of the hexameric purine nucleoside phosphorylase from Bacillus subtilis in space group P6322 at pH 4.6 分子名称: Purine nucleoside phosphorylase deoD-type 著者 Santos, C.R, Meza, A.N, Martins, N.H, Giuseppe, P.O, Murakami, M.T. 登録日 2012-01-11 公開日 2012-09-26 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Insights into phosphate cooperativity and influence of substrate modifications on binding and catalysis of hexameric purine nucleoside phosphorylases. Plos One, 7, 2012
4CSF	Structural insights into Toscana virus RNA encapsidation 分子名称: NUCLEOPROTEIN, RNA (5'-R(*UP*GP*UP*GP*UP*UP*UP*CP*UP)-3') 著者 Olal, D, Daumke, O. 登録日 2014-03-07 公開日 2014-04-09 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.598 Å) 主引用文献 Structural Insights Into RNA Encapsidation and Helical Assembly of the Toscana Virus Nucleoprotein. Nucleic Acids Res., 42, 2014
4D35	Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- fluorophenyl)propan-1-amine 分子名称: 3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2014-10-20 公開日 2014-12-24 最終更新日 2015-03-04 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
4D89	Crystal Structure of Human Beta Secretase in Complex with NVP-BXD552, derived from a soaking experiment 分子名称: (3S,4S,5R)-3-(4-amino-3-{[(2R)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy}-5-fluorobenzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 著者 Rondeau, J.M, Bourgier, E. 登録日 2012-01-10 公開日 2012-11-21 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides J.Med.Chem., 55, 2012
4D8F	Chlamydia trachomatis NrdB with a Mn/Fe cofactor (procedure 1 - high Mn) 分子名称: ACETIC ACID, FE (III) ION, MANGANESE (II) ION, ... 著者 Dassama, L.M.K, Boal, A.K, Krebs, C, Rosenzweig, A.C, Bollinger Jr, J.M. 登録日 2012-01-10 公開日 2012-02-15 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Evidence that the beta subunit of Chlamydia trachomatis ribonucleotide reductase is active with the manganese ion of its manganese(IV)/iron(III) cofactor in site 1. J.Am.Chem.Soc., 134, 2012
3ZJY	Crystal Structure of Importin 13 - RanGTP - eIF1A complex 分子名称: EUKARYOTIC TRANSLATION INITIATION FACTOR 1A, X-CHROMOSOMAL, GTP-BINDING NUCLEAR PROTEIN RAN, ... 著者 Gruenwald, M, Lazzaretti, D, Bono, F. 登録日 2013-01-21 公開日 2013-04-10 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (3.6 Å) 主引用文献 Structural Basis for the Nuclear Export Activity of Importin13. Embo J., 32, 2013
3ZO3	The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors 分子名称: 6-(2,9-DIAZASPIRO[5.5]UNDECAN-2-YL)-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ... 著者 Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I. 登録日 2013-02-20 公開日 2013-03-06 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases. Bioorg. Med. Chem., 21, 2013
3ZO2	The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(2,9-Diazaspiro[5.5]undecan-9-yl)-9H-purine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ... 著者 Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I. 登録日 2013-02-20 公開日 2013-03-06 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases. Bioorg. Med. Chem., 21, 2013
3ZNJ	Crystal structure of unliganded ClcF from R.opacus 1CP in crystal form 1. 分子名称: 1,2-ETHANEDIOL, 5-CHLOROMUCONOLACTONE DEHALOGENASE, CHLORIDE ION 著者 Roth, C, Groening, J.A.D, Kaschabek, S.R, Schloemann, M, Straeter, N. 登録日 2013-02-14 公開日 2013-03-06 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal Structure and Catalytic Mechanism of Chloromuconolactone Dehalogenase Clcf from Rhodococcus Opacus 1Cp. Mol.Microbiol., 88, 2013
4D8Z	Crystal structure of B. anthracis DHPS with compound 24 分子名称: (3R)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid, Dihydropteroate Synthase, SULFATE ION 著者 Hammoudeh, D, Lee, R.E, White, S.W. 登録日 2012-01-11 公開日 2012-03-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.198 Å) 主引用文献 Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity. Chemmedchem, 7, 2012
4D9Q	Inhibiting Alternative Pathway Complement Activation by Targeting the Exosite on Factor D 分子名称: Anti-Factor D, heavy chain, light chain, ... 著者 Murray, J.M, Wiesmann, C. 登録日 2012-01-11 公開日 2012-02-22 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Inhibiting alternative pathway complement activation by targeting the factor d exosite. J.Biol.Chem., 287, 2012
4D8H	Crystal structure of Symfoil-4P/PV2: de novo designed beta-trefoil architecture with symmetric primary structure, primitive version 2 (6xLeu / PV1) 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, de novo protein 著者 Blaber, M, Longo, L. 登録日 2012-01-10 公開日 2013-01-16 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.901 Å) 主引用文献 Simplified protein design biased for prebiotic amino acids yields a foldable, halophilic protein. Proc.Natl.Acad.Sci.USA, 110, 2013
4D34	Structure of bovine endothelial nitric oxide synthase heme domain in complex with 2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(3- fluorophenethyl)ethan-1-amine 分子名称: 2-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... 著者 Chreifi, G, Li, H, Poulos, T.L. 登録日 2014-10-20 公開日 2014-12-24 最終更新日 2015-03-04 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
4D8L	Crystal structure of the 2-pyrone-4,6-dicarboxylic acid hydrolase from sphingomonas paucimobilis 分子名称: 2-pyrone-4,6-dicarbaxylate hydrolase 著者 Malashkevich, V.N, Toro, R, Bonanno, J, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) 登録日 2012-01-10 公開日 2012-01-25 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure and Catalytic Mechanism of LigI: Insight into the Amidohydrolase Enzymes of cog3618 and Lignin Degradation. Biochemistry, 51, 2012

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