PDB: 12060 件ウェブページステータス検索Chemie searchBIRD

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3DBU	Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties 分子名称: 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION 著者 Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. 登録日 2008-06-02 公開日 2009-03-03 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties Biochemistry, 48, 2009
3DD0	Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties 分子名称: 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION 著者 Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. 登録日 2008-06-04 公開日 2009-03-03 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties Biochemistry, 48, 2009
3H7W	Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains with the artificial ligand THS017 分子名称: 2-nitro-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)aniline, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 著者 Key, J.M, Scheuermann, T.H, Anderson, P.C, Daggett, V, Gardner, K.H. 登録日 2009-04-28 公開日 2010-01-12 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Principles of ligand binding within a completely buried cavity in HIF2alpha PAS-B J.Am.Chem.Soc., 131, 2009
3H4J	crystal structure of pombe AMPK KDAID fragment 分子名称: SNF1-like protein kinase ssp2 著者 Chen, L, Jiao, Z.-H, Zheng, L.-S, Zhang, Y.-Y, Xie, S.-T, Wang, Z.-X, Wu, J.-W. 登録日 2009-04-20 公開日 2009-06-02 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structural insight into the autoinhibition mechanism of AMP-activated protein kinase Nature, 459, 2009
3H82	Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains with the artificial ligand THS020 分子名称: Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, N-(furan-2-ylmethyl)-2-nitro-4-(trifluoromethyl)aniline 著者 Key, J.M, Scheuermann, T.H, Anderson, P.C, Daggett, V, Gardner, K.H. 登録日 2009-04-28 公開日 2010-01-12 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Principles of ligand binding within a completely buried cavity in HIF2alpha PAS-B J.Am.Chem.Soc., 131, 2009
3HHU	Human heat-shock protein 90 (HSP90) in complex with {4-[3-(2,4-dihydroxy-5-isopropyl-phenyl)-5-thioxo- 1,5-dihydro-[1,2,4]triazol-4-yl]-benzyl}-carbamic acid ethyl ester {ZK 2819} 分子名称: Heat shock protein HSP 90-alpha, ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzyl)carbamate 著者 Adler, M, Whitlow, M. 登録日 2009-05-17 公開日 2009-07-14 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Potent triazolothione inhibitor of heat-shock protein-90. Chem.Biol.Drug Des., 74, 2009
4W6Y	Co-complex structure of the lectin domain of F18 fimbrial adhesin FedF with inhibitory nanobody NbFedF9 分子名称: F18 fimbrial adhesin AC, Nanobody NbFedF9, SULFATE ION 著者 Moonens, K, De Kerpel, M, Coddens, A, Cox, E, Pardon, E, Remaut, H, De Greve, H. 登録日 2014-08-21 公開日 2014-12-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Nanobody Mediated Inhibition of Attachment of F18 Fimbriae Expressing Escherichia coli. Plos One, 9, 2014
4W9S	2-(4-(1H-tetrazol-5-yl)phenyl)-5-hydroxypyrimidin-4(3H)-one bound to influenza 2009 H1N1 endonuclease 分子名称: 5-hydroxy-2-[4-(1H-tetrazol-5-yl)phenyl]pyrimidin-4(3H)-one, MANGANESE (II) ION, Polymerase acidic protein, ... 著者 Bauman, J.D, Patel, D, Das, K, Arnold, E. 登録日 2014-08-27 公開日 2014-10-01 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Phenyl Substituted 4-Hydroxypyridazin-3(2H)-ones and 5-Hydroxypyrimidin-4(3H)-ones: Inhibitors of Influenza A Endonuclease. J.Med.Chem., 57, 2014
4W94	Crystal structure of cross-linked tetragonal hen egg white lysozyme soaked with 5mM [Ru(CO)3Cl2]2 分子名称: CHLORIDE ION, DIMETHYLFORMAMIDE, Lysozyme C, ... 著者 Tabe, H, Fujita, K, Abe, S, Tsujimoto, M, Kuchimaru, T, Kizaka-Kondo, S, Takano, M, Kitagawa, S, Ueno, T. 登録日 2014-08-27 公開日 2014-12-31 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Preparation of a Cross-Linked Porous Protein Crystal Containing Ru Carbonyl Complexes as a CO-Releasing Extracellular Scaffold Inorg.Chem., 54, 2015
3QG6	Structural Basis for Ligand Recognition and Discrimination of a Quorum Quenching Antibody 分子名称: AP4-24H11 Heavy Chain, AP4-24H11 Light Chain, Agr autoinducing peptide, ... 著者 Kirchdoerfer, R.N, Janda, J.D, Kaufmann, G.F, Wilson, I.A. 登録日 2011-01-24 公開日 2011-03-23 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural Basis for Ligand Recognition and Discrimination of a Quorum-quenching Antibody. J.Biol.Chem., 286, 2011
4UYM	Crystal structure of sterol 14-alpha demethylase (CYP51B) from a pathogenic filamentous fungus Aspergillus fumigatus in complex with voriconazole 分子名称: 14-ALPHA STEROL DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole 著者 Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. 登録日 2014-09-02 公開日 2015-08-19 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Structure-Functional Characterization of Cytochrome P450 Sterol Alpha-Demethylase (Cyp51B) from Aspergillus Fumigatus and Molecular Basis for the Development of Antifungal Drugs J.Biol.Chem., 290, 2015
5L7Q	Structure of deformed wing virus, a honeybee pathogen 分子名称: VP1, vp2, vp3 著者 Skubnik, K, Novacek, J, Fuzik, T, Pridal, A, Paxton, R, Plevka, P. 登録日 2016-06-03 公開日 2017-03-29 最終更新日 2024-05-15 実験手法 ELECTRON MICROSCOPY (3.5 Å) 主引用文献 Structure of deformed wing virus, a major honey bee pathogen. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3QUG	Structure of heme transport protein IsdH-NEAT3 from S. aureus in complex with Gallium-porphyrin 分子名称: GLYCEROL, Iron-regulated surface determinant protein H, PROTOPORPHYRIN IX CONTAINING GA, ... 著者 Moriwaki, Y, Caaveiro, J.M.M, Tsumoto, K. 登録日 2011-02-24 公開日 2011-03-30 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Molecular basis of recognition of antibacterial porphyrins by heme-transporter IsdH-NEAT3 of Staphylococcus aureus. Biochemistry, 50, 2011
4W5I	Crystal structure of human tankyrase 2 in complex with 1-methyl-7-phenyl-1,2,3,4,5,6-hexahydro-1,6- naphthyridin-5-one 分子名称: 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5(1H)-one, GLYCEROL, SULFATE ION, ... 著者 Haikarainen, T, Lehtio, L. 登録日 2014-08-18 公開日 2015-06-10 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structure-based design, synthesis and evaluation in vitro of arylnaphthyridinones, arylpyridopyrimidinones and their tetrahydro derivatives as inhibitors of the tankyrases. Bioorg.Med.Chem., 23, 2015
4WBO	Bovine G Protein Coupled Receptor Kinase 1 in Complex with Amlexanox 分子名称: 2-amino-7-(1-methylethyl)-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid, CHLORIDE ION, Rhodopsin kinase 著者 Homan, K.T, Tesmer, J.J.G. 登録日 2014-09-03 公開日 2014-11-05 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.81 Å) 主引用文献 Identification and characterization of amlexanox as a g protein-coupled receptor kinase 5 inhibitor. Molecules, 19, 2014
4W6W	Co-complex structure of the lectin domain of F18 fimbrial adhesin FedF with inhibitory nanobody NbFedF6 分子名称: F18 fimbrial adhesin AC, NbFedF6 著者 Moonens, K, De Kerpel, M, Annelies, C, Cox, E, Pardon, E, Remaut, H, De Greve, H. 登録日 2014-08-21 公開日 2014-12-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.51 Å) 主引用文献 Nanobody Mediated Inhibition of Attachment of F18 Fimbriae Expressing Escherichia coli. Plos One, 9, 2014
4W6X	Co-complex structure of the lectin domain of F18 fimbrial adhesin FedF with inhibitory nanobody NbFedF7 分子名称: F18 fimbrial adhesin AC, Nanobody NbFedF7 著者 Moonens, K, De Kerpel, M, Coddens, A, Cox, E, Pardon, E, Remaut, H, De Greve, H. 登録日 2014-08-21 公開日 2014-12-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Nanobody Mediated Inhibition of Attachment of F18 Fimbriae Expressing Escherichia coli. Plos One, 9, 2014
4WD1	Acetoacetyl-CoA Synthetase from Streptomyces lividans 分子名称: 1,2-ETHANEDIOL, Acetoacetate-CoA ligase, CALCIUM ION 著者 Gulick, A.M, Mitchell, C.A. 登録日 2014-09-05 公開日 2015-01-28 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.903 Å) 主引用文献 The structure of S. lividans acetoacetyl-CoA synthetase shows a novel interaction between the C-terminal extension and the N-terminal domain. Proteins, 83, 2015
4WA9	The crystal structure of human abl1 wild type kinase domain in complex with axitinib 分子名称: AXITINIB, Tyrosine-protein kinase ABL1 著者 Johnson, E, McTigue, M, Cronin, C.N. 登録日 2014-08-28 公開日 2015-02-11 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Axitinib effectively inhibits BCR-ABL1(T315I) with a distinct binding conformation. Nature, 519, 2015
2WIG	NONAGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA4 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... 著者 Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F. 登録日 2009-05-11 公開日 2009-05-19 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Structure-activity analysis of aging and reactivation of human butyrylcholinesterase inhibited by analogues of tabun. Biochem. J., 421, 2009
4UVA	LSD1(KDM1A)-CoREST in complex with 1-Methyl-Tranylcypromine (1R,2S) 分子名称: LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS)-4a-[(1S,3E)-3-imino-1-phenylbutyl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate 著者 Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C. 登録日 2014-08-05 公開日 2014-09-10 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A. Eur.J.Med.Chem., 86C, 2014
4UX4	Crystal structure of human tankyrase 2 in complex with 1-methyl-7-(4- methylphenyl)-5-oxo-5,6-dihydro-1,6-naphthyridin-1-ium 分子名称: (1S)-1-methyl-7-(4-methylphenyl)-5-oxo-1,5-dihydro-1,6-naphthyridin-1-ium, GLYCEROL, SULFATE ION, ... 著者 Haikarainen, T, Lehtio, L. 登録日 2014-08-19 公開日 2015-06-10 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure-Based Design, Synthesis and Evaluation in Vitro of Arylnaphthyridinones, Arylpyridopyrimidinones and Their Tetrahydro Derivatives as Inhibitors of the Tankyrases. Bioorg.Med.Chem., 23, 2015
2WJ7	human alphaB crystallin 分子名称: ALPHA-CRYSTALLIN B CHAIN 著者 Naylor, C.E, Bagneris, C, Bateman, O.A, Cronin, N, Keep, N.H, Slingsby, C. 登録日 2009-05-22 公開日 2009-08-11 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.631 Å) 主引用文献 Crystal Structures of Alpha-Crystallin Domain Dimers of Alphab-Crystallin and Hsp20. J.Mol.Biol., 392, 2009
4WHG	Crystal Structure of TR3 LBD in complex with Molecule 3 分子名称: 1-(3,4,5-trihydroxyphenyl)octan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 著者 Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Wang, Y, Hou, P.P, Wu, Q, Lin, T.W. 登録日 2014-09-22 公開日 2015-09-09 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity Chem.Biol., 22, 2015
4WHZ	Design and Synthesis of Highly Potent and Isoform Selective JNK3 Inhibitors: SAR Studies on Aminopyrazole Derivatives 分子名称: 3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-{1-[(3S)-pyrrolidin-3-yl]-1H-pyrazol-4-yl}benzamide, Mitogen-activated protein kinase 10 著者 Park, H, LoGrasso, P. 登録日 2014-09-24 公開日 2014-11-26 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Design and Synthesis of Highly Potent and Isoform Selective JNK3 Inhibitors: SAR Studies on Aminopyrazole Derivatives. J.Med.Chem., 57, 2014

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