PDB: 66478 件ウェブページステータス検索Chemie searchBIRD

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4DHS	Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening 分子名称: (2-{2-[(3,5-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 PROTEIN SIGMA, CHLORIDE ION, ... 著者 Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. 登録日 2012-01-30 公開日 2013-07-31 最終更新日 2013-09-04 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
3TA2	A. fulgidus GlnK3, MgATP/2-OG complex 分子名称: 2-OXOGLUTARIC ACID, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... 著者 Maier, S, Schleberger, P, Lue, W, Wacker, T, Pflueger, T, Litz, C, Andrade, S.L.A. 登録日 2011-08-03 公開日 2011-10-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Mechanism of disruption of the Amt-GlnK complex by P(II)-mediated sensing of 2-oxoglutarate. Plos One, 6, 2011
4DNY	Crystal structure of enterohemorrhagic E. coli StcE(132-251) 分子名称: IODIDE ION, Metalloprotease stcE 著者 Yu, A.C.Y, Strynadka, N.C.J. 登録日 2012-02-09 公開日 2012-05-16 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 Structural Insight into the Bacterial Mucinase StcE Essential to Adhesion and Immune Evasion during Enterohemorrhagic E. coli Infection. Structure, 20, 2012
4DT7	Crystal structure of thrombin bound to the activation domain QEDQVDPRLIDGKMTRRGDS of protein C 分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, SODIUM ION, ... 著者 Pozzi, N, Barranco-Medina, S, Chen, Z, Di Cera, E. 登録日 2012-02-20 公開日 2012-05-09 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Exposure of R169 controls protein C activation and autoactivation. Blood, 120, 2012
4FQO	Crystal Structure of Calcium-Loaded S100B Bound to SBi4211 分子名称: 4,4'-[heptane-1,7-diylbis(oxy)]dibenzenecarboximidamide, CALCIUM ION, Protein S100-B 著者 McKnight, L.E, Raman, E.P, Bezawada, P, Kudrimoti, S, Wilder, P.T, Hartman, K.G, Toth, E.A, Coop, A, MacKerrell, A.D, Weber, D.J. 登録日 2012-06-25 公開日 2012-10-17 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structure-Based Discovery of a Novel Pentamidine-Related Inhibitor of the Calcium-Binding Protein S100B. ACS Med Chem Lett, 3, 2012
4DHN	Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening 分子名称: 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ... 著者 Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. 登録日 2012-01-30 公開日 2013-07-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
4EGM	The X-ray crystal structure of CYP199A4 in complex with 4-ethylbenzoic acid 分子名称: 4-ethylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Zhou, W, Bell, S.G, Yang, W, Zhou, R.M, Tan, A.B.H, Wong, L.-L. 登録日 2012-03-31 公開日 2013-02-20 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.91 Å) 主引用文献 Investigation of the substrate range of CYP199A4: modification of the partition between hydroxylation and desaturation activities by substrate and protein engineering Chemistry, 18, 2012
4EWD	Study on structure and function relationships in human Pirin with Mn ion 分子名称: MANGANESE (II) ION, Pirin 著者 Liu, F, Rehmani, I, Chen, L, Fu, R, Serrano, V, Wilson, D.W, Liu, A. 登録日 2012-04-26 公開日 2013-05-29 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Pirin is an iron-dependent redox regulator of NF-kappa B. Proc.Natl.Acad.Sci.USA, 110, 2013
4EDZ	Crystal structure of hH-PGDS with water displacing inhibitor 分子名称: 4-(3-methylisoquinolin-1-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide, GLUTATHIONE, Hematopoietic prostaglandin D synthase, ... 著者 Day, J.E, Thorarensen, A, Trujillo, J.I. 登録日 2012-03-27 公開日 2012-05-16 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Investigation of the binding pocket of human hematopoietic prostaglandin (PG) D2 synthase (hH-PGDS): a tale of two waters. Bioorg.Med.Chem.Lett., 22, 2012
4FQW	Crystal Structure of AAAA+UDP+Gal at pH 5.0 with MPD as the cryoprotectant 分子名称: Histo-blood group ABO system transferase, TETRAETHYLENE GLYCOL, URIDINE-5'-DIPHOSPHATE, ... 著者 Johal, A.R, Alfaro, J.A, Blackler, R.J, Schuman, B, Borisova, S.N, Evans, S.V. 登録日 2012-06-25 公開日 2013-12-25 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 pH-induced conformational changes in human ABO(H) blood group glycosyltransferases confirm the importance of electrostatic interactions in the formation of the semi-closed state. Glycobiology, 24, 2014
4FRD	Crystal Structure of ABBA+UDP+Gal at pH 9.0 with MPD as the cryoprotectant 分子名称: Histo-blood group ABO system transferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ... 著者 Johal, A.R, Alfaro, J.A, Blackler, R.J, Schuman, B, Borisova, S.N, Evans, S.V. 登録日 2012-06-26 公開日 2013-12-25 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 pH-induced conformational changes in human ABO(H) blood group glycosyltransferases confirm the importance of electrostatic interactions in the formation of the semi-closed state. Glycobiology, 24, 2014
4BQJ	structure of HSP90 with an inhibitor bound 分子名称: 5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-N-ethyl-1,2-oxazole-3-carboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA 著者 Casale, E, Brasca, M.G, Mantegani, S, Amboldi, N, Bindi, S, Caronni, D, Ceccarelli, W, Colombo, N, DePonti, A, Donati, D, Ermoli, A, Fachin, G, Felder, E.R, Ferguson, R.D, Fiorelli, C, Guanci, M, Isacchi, A, Pesenti, E, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Fogliatto, G. 登録日 2013-05-30 公開日 2013-10-23 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of Nms-E973 as Novel, Selective and Potent Inhibitor of Heat Shock Protein 90 (Hsp90). Bioorg.Med.Chem., 21, 2013
4FRB	Crystal Structure of ABBA+UDP+Gal at pH 8.0 with MPD as the cryoprotectant 分子名称: Histo-blood group ABO system transferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ... 著者 Johal, A.R, Alfaro, J.A, Blackler, R.J, Schuman, B, Borisova, S.N, Evans, S.V. 登録日 2012-06-26 公開日 2013-12-25 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 pH-induced conformational changes in human ABO(H) blood group glycosyltransferases confirm the importance of electrostatic interactions in the formation of the semi-closed state. Glycobiology, 24, 2014
3T22	Crystal structure of OxyR mutant from Porphyromonas gingivalis 分子名称: Redox-sensitive transcriptional activator OxyR 著者 Svintradze, D.V, Wright, H.T, Lewis, J.P. 登録日 2011-07-22 公開日 2013-04-17 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structures of the Porphyromonas gingivalis OxyR regulatory domain explain differences in expression of the OxyR regulon in Escherichia coli and P. gingivalis. Acta Crystallogr.,Sect.D, 69, 2013
4FDX	Kinetic and structural characterization of the 4-oxalocrotonate tautomerase isozymes from Methylibium petroleiphilum 分子名称: 4-oxalocrotonase tautomerase isozyme 著者 Terrell, C.R, Hoffman, D.W, Whitman, C.P. 登録日 2012-05-29 公開日 2013-06-12 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Structural and kinetic characterization of two 4-oxalocrotonate tautomerases in Methylibium petroleiphilum strain PM1. Arch.Biochem.Biophys., 537, 2013
3Q0R	Crystal structure of the PUMILIO-homology domain from Human PUMILIO2 in complex with p38alpha NREb 分子名称: 5'-R(UP*GP*UP*AP*GP*AP*UP*A)-3', Pumilio homolog 2 著者 Lu, G, Hall, T.M.T. 登録日 2010-12-15 公開日 2011-03-16 最終更新日 2013-06-19 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Alternate modes of cognate RNA recognition by human PUMILIO proteins. Structure, 19, 2011
4ENQ	Structure of E530D variant E. coli KatE 分子名称: CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Catalase HPII 著者 Loewen, P.C, Jha, V. 登録日 2012-04-13 公開日 2012-05-02 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Influence of main channel structure on H(2)O(2) access to the heme cavity of catalase KatE of Escherichia coli. Arch.Biochem.Biophys., 526, 2012
4H98	Candida glabrata dihydrofolate reductase complexed with NADPH and 5-{3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyphenyl]prop-1-yn-1-yl}-6-ethylpyrimidine-2,4-diamine (UCP1018) 分子名称: 5-{3-[3-(1,3-benzodioxol-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}-6-ethylpyrimidine-2,4-diamine, Dihydrofolate Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Paulsen, J.L, Anderson, A.C. 登録日 2012-09-24 公開日 2013-03-27 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species. Bioorg.Med.Chem.Lett., 23, 2013
6NKZ	Ternary complex crystal structure of K289M variant of DNA polymerase Beta with "hot-spot sequence" with beta-gamma methylene dGTP 分子名称: 2'-DEOXY-5'-O-(HYDROXY{[HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]OXY}PHOSPHORYL)GUANOSINE, DNA (5'-D(*CP*CP*GP*AP*AP*CP*AP*AP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*TP*(2DT))-3'), ... 著者 Batra, V.K, Wilson, S.H. 登録日 2019-01-07 公開日 2020-01-08 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 Revealing an Internal Stabilization Deficiency in the DNA Polymerase beta K289M Cancer Variant through the Combined Use of Chemical Biology and X-ray Crystallography. Biochemistry, 59, 2020
4EDY	Crystal structure of hH-PGDS with water displacing inhibitor 分子名称: 4-[2-(hydroxymethyl)naphthalen-1-yl]-N-[2-(morpholin-4-yl)ethyl]benzamide, DIMETHYL SULFOXIDE, GLUTATHIONE, ... 著者 Day, J.E, Thorarensen, A, Trujillo, J.I, Kiefer, J.R. 登録日 2012-03-27 公開日 2012-10-03 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Investigation of the binding pocket of human hematopoietic prostaglandin (PG) D2 synthase (hH-PGDS): a tale of two waters. Bioorg.Med.Chem.Lett., 22, 2012
4IFN	Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes 分子名称: (1R,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, kelch-like ECH-associated protein 1 著者 Pan, H, Lin, M, Yang, Y, Callaway, K, Baker, J, Diep, L, Yan, J, Tanaka, K, Zhu, Y.L, Konradi, A.W, Jobling, M, Tam, D, Ren, Z, Cheung, H, Bova, M, Riley, B.E, Yao, N, Artis, D.R. 登録日 2012-12-14 公開日 2013-12-18 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes Acta Crystallogr.,Sect.D
4CHM	Structure of Inner Membrane Complex (IMC) Sub-compartment Protein 1 (ISP1) from Toxoplasma gondii 分子名称: IMC SUB-COMPARTMENT PROTEIN ISP1, SULFATE ION 著者 Tonkin, M.L, Beck, J.R, Bradley, P.J, Boulanger, M.J. 登録日 2013-12-03 公開日 2014-04-09 最終更新日 2017-07-05 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 The Inner Membrane Complex Sub-Compartment Proteins Critical for Replication of the Apicomplexan Parasite Toxoplasma Gondii Adopt a Pleckstrin Homology Fold J.Biol.Chem., 289, 2014
4CM4	Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor 分子名称: 5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, GLYCEROL, ... 著者 Barrack, K.L, Hunter, W.N. 登録日 2014-01-15 公開日 2015-01-21 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
4CWS	Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor 分子名称: 2-{[2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-8-yl]amino}ethanol, HEAT SHOCK PROTEIN HSP 90-ALPHA 著者 Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. 登録日 2014-04-03 公開日 2014-07-09 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
4CL8	Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor 分子名称: 2,4-diamino-6-(3-formylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Barrack, K.L, Hunter, W.N. 登録日 2014-01-13 公開日 2015-01-21 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014

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