PDB: 13252 件ウェブページステータス検索Chemie searchBIRD

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1WCC	Screening for fragment binding by X-ray crystallography 分子名称: 2-AMINO-6-CHLOROPYRAZINE, CELL DIVISION PROTEIN KINASE 2 著者 Cleasby, A, O'Reilly, M, Hartshorn, M.J, Murray, C.W, Tickle, I.J, Jhoti, H, Frederickson, M. 登録日 2004-11-12 公開日 2005-01-27 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Fragment-Based Lead Discovery Using X-Ray Crystallography J.Med.Chem., 48, 2005
4O1D	Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors 分子名称: (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... 著者 Oh, A, Coons, M, Brillantes, B, Wang, W. 登録日 2013-12-15 公開日 2014-10-22 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.705 Å) 主引用文献 Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors. Plos One, 9, 2014
5T1J	Crystal Structure of the Tbox DNA binding domain of the transcription factor T-bet 分子名称: DNA, T-box transcription factor TBX21 著者 Liu, C.F, Brandt, G.S, Hoang, Q, Hwang, E.S, Naumova, N, Lazarevic, V, Dekker, J, Glimcher, L.H, Ringe, D, Petsko, G.A. 登録日 2016-08-19 公開日 2016-10-26 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.947 Å) 主引用文献 Crystal structure of the DNA binding domain of the transcription factor T-bet suggests simultaneous recognition of distant genome sites. Proc.Natl.Acad.Sci.USA, 113, 2016
5THT	Crystal Structure of G303A HDAC8 in complex with M344 分子名称: 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, ... 著者 Porter, N.J, Christianson, D.W. 登録日 2016-09-30 公開日 2016-12-21 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.407 Å) 主引用文献 Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8. Biochemistry, 55, 2016
4HEO	Hendra virus Phosphoprotein C terminal domain 分子名称: CHLORIDE ION, MAGNESIUM ION, Phosphoprotein 著者 Yabukarski, F, Tarbouriech, N, Jamin, M. 登録日 2012-10-04 公開日 2013-10-09 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Atomic Resolution Description of the Interaction between the Nucleoprotein and Phosphoprotein of Hendra Virus. Plos Pathog., 9, 2013
4O15	The crystal structure of a mutant NAMPT (S165F) in complex with GNE-618 分子名称: 1,2-ETHANEDIOL, N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, ... 著者 Oh, A, Coons, M, Brillantes, B, Wang, W. 登録日 2013-12-15 公開日 2014-10-22 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors. Plos One, 9, 2014
4O1C	The crystal structures of a mutant NAMPT H191R 分子名称: 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION 著者 Oh, A, Coons, M, Brillantes, B, Wang, W. 登録日 2013-12-15 公開日 2014-10-22 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.092 Å) 主引用文献 Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors. Plos One, 9, 2014
5THS	Crystal Structure of G302A HDAC8 in complex with M344 分子名称: 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, ... 著者 Porter, N.J, Christianson, D.W. 登録日 2016-09-30 公開日 2016-12-21 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8. Biochemistry, 55, 2016
5THU	Crystal Structure of G304A HDAC8 in complex with M344 分子名称: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, POTASSIUM ION, ... 著者 Porter, N.J, Christianson, D.W. 登録日 2016-09-30 公開日 2016-12-21 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8. Biochemistry, 55, 2016
4EOL	Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with the inhibitor RO3306 分子名称: (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2, ... 著者 Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. 登録日 2012-04-14 公開日 2013-02-06 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
4EOQ	Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with ATP 分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ... 著者 Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. 登録日 2012-04-14 公開日 2013-02-06 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
5THV	Crystal Structure of G305A HDAC8 in complex with M344 分子名称: 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, ... 著者 Porter, N.J, Christianson, D.W. 登録日 2016-09-30 公開日 2016-12-21 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.868 Å) 主引用文献 Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8. Biochemistry, 55, 2016
4H10	Intermolecular recognition revealed by the complex structure of human CLOCK-BMAL1 basic Helix-Loop-Helix domains with E-box DNA 分子名称: Aryl hydrocarbon receptor nuclear translocator-like protein 1, Circadian locomoter output cycles protein kaput, E-box DNA antisense strand, ... 著者 Wang, Z, Su, X.-D. 登録日 2012-09-10 公開日 2012-12-26 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.402 Å) 主引用文献 Intermolecular recognition revealed by the complex structure of human CLOCK-BMAL1 basic helix-loop-helix domains with E-box DNA. Cell Res., 23, 2013
4MY2	Crystal Structure of Norrin in fusion with Maltose Binding Protein 分子名称: Maltose-binding periplasmic protein, Norrin fusion protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose 著者 Ke, J, Jurecky, C, Chen, C, Gu, X, Parker, N, Williams, B.O, Melcher, K, Xu, H.E. 登録日 2013-09-27 公開日 2013-11-13 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structure and function of Norrin in assembly and activation of a Frizzled 4-Lrp5/6 complex. Genes Dev., 27, 2013
4EON	Thr 160 phosphorylated CDK2 H84S, Q85M, Q131E - human cyclin A3 complex with the inhibitor RO3306 分子名称: (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2, ... 著者 Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. 登録日 2012-04-14 公開日 2013-02-06 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
4EOR	Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with the inhibitor NU6102 分子名称: Cyclin-A2, Cyclin-dependent kinase 2, O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE 著者 Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. 登録日 2012-04-14 公開日 2013-02-06 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
4EOK	Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with the inhibitor NU6102 分子名称: Cyclin-A2, Cyclin-dependent kinase 2, MONOTHIOGLYCEROL, ... 著者 Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. 登録日 2012-04-14 公開日 2013-02-06 実験手法 X-RAY DIFFRACTION (2.57 Å) 主引用文献 An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
4EOS	Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with the inhibitor RO3306 分子名称: (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2 著者 Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. 登録日 2012-04-14 公開日 2013-02-06 実験手法 X-RAY DIFFRACTION (2.57 Å) 主引用文献 An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
4R9W	Crystal structure of platelet factor 4 complexed with fondaparinux 分子名称: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, Platelet factor 4 著者 Cai, Z, Zhu, Z, Liu, Q, Greene, M.I. 登録日 2014-09-08 公開日 2015-12-16 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Atomic description of the immune complex involved in heparin-induced thrombocytopenia. Nat Commun, 6, 2015
4R9Y	Crystal structure of KKOFab in complex with platelet factor 4 分子名称: Platelet factor 4, Platelet factor 4 antibody KKO heavy chain, Platelet factor 4 antibody KKO light chain 著者 Cai, Z, Zhu, Z, Liu, Q, Greene, M.I. 登録日 2014-09-08 公開日 2015-12-16 最終更新日 2017-11-22 実験手法 X-RAY DIFFRACTION (4.11 Å) 主引用文献 Atomic description of the immune complex involved in heparin-induced thrombocytopenia. Nat Commun, 6, 2015
3SFH	Crystal Structure of Human HDAC8 Inhibitor Complex, an Amino Acid Derived Inhibitor 分子名称: (2R)-2-amino-3-(2,4-dichlorophenyl)-1-(1,3-dihydro-2H-isoindol-2-yl)propan-1-one, ACETATE ION, Histone deacetylase 8, ... 著者 Stams, T, Vash, B. 登録日 2011-06-13 公開日 2011-07-20 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Human HDAC isoform selectivity achieved via exploitation of the acetate release channel with structurally unique small molecule inhibitors. Bioorg.Med.Chem., 19, 2011
3SFF	Crystal Structure of Human HDAC8 Inhibitor Complex, an Amino Acid Derived Inhibitor 分子名称: (2R)-2-amino-3-(3-chlorophenyl)-1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]propan-1-one, Histone deacetylase 8, POTASSIUM ION, ... 著者 Stams, T, Vash, B. 登録日 2011-06-13 公開日 2011-07-20 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Human HDAC isoform selectivity achieved via exploitation of the acetate release channel with structurally unique small molecule inhibitors. Bioorg.Med.Chem., 19, 2011
8BFC	Binary structure of 14-3-3s and RND3 phosphopeptide 分子名称: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... 著者 Somsen, B.A, Ottmann, C. 登録日 2022-10-24 公開日 2023-03-29 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach. J.Am.Chem.Soc., 145, 2023
7NM3	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-135 分子名称: 14-3-3 protein sigma, 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde, CALCIUM ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-02-23 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
7NK5	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-124 分子名称: 1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine, 14-3-3 protein sigma, CALCIUM ION, ... 著者 Wolter, M, Ottmann, C. 登録日 2021-02-17 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021

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