PDB: 160289 件ウェブページステータス検索Chemie searchBIRD

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4OF5	Refinement of RAGE-DNA complex in 3S59 without DNA 分子名称: Advanced glycosylation end product-specific receptor 著者 Yatime, L, Andersen, G.R. 登録日 2014-01-14 公開日 2014-04-23 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.803 Å) 主引用文献 The specificity of DNA recognition by the RAGE receptor. J.Exp.Med., 211, 2014
4D0W	Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors 分子名称: 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK2 著者 Bertrand, J, Canevari, G, Fasolini, M, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D. 登録日 2014-04-30 公開日 2014-07-23 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors. Bioorg.Med.Chem., 22, 2014
4OFV	Refinement of RAGE-DNA complex in 3S58 without DNA 分子名称: Advanced glycosylation end product-specific receptor 著者 Yatime, L, Andersen, G.R. 登録日 2014-01-15 公開日 2014-04-23 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 The specificity of DNA recognition by the RAGE receptor. J.Exp.Med., 211, 2014
4D1S	Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors 分子名称: 2-(5-chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1H-pyrrole-3-carboxamide, TYROSINE-PROTEIN KINASE JAK2 著者 Bertrand, J, Canevari, G, Fasolini, M, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D. 登録日 2014-05-05 公開日 2014-07-23 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors. Bioorg.Med.Chem., 22, 2014
4D0X	Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors 分子名称: 5-(2-aminopyrimidin-4-yl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK2 著者 Canevari, G, Fasolini, M, Bertrand, J, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D. 登録日 2014-04-30 公開日 2014-07-23 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors. Bioorg.Med.Chem., 22, 2014
4GTT	Engineered RabGGTase in complex with BMS analogue 12 分子名称: 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate, CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, ... 著者 Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S. 登録日 2012-08-29 公開日 2012-10-24 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Development of Selective, Potent RabGGTase Inhibitors J.Med.Chem., 55, 2012
4PCE	Crystal Structure of the first bromodomain of human BRD4 in complex with compound B13 分子名称: 1,2-ETHANEDIOL, 1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4H-indol-4-one, Bromodomain-containing protein 4 著者 Dong, J, Caflisch, A. 登録日 2014-04-15 公開日 2014-05-07 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.293 Å) 主引用文献 Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking. Bioorg.Med.Chem.Lett., 24, 2014
3FH7	Leukotriene A4 Hydrolase complexed with inhibitor 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate. 分子名称: 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate, ACETATE ION, GLYCEROL, ... 著者 Mamat, B, Davies, D.R. 登録日 2008-12-08 公開日 2010-01-05 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis. J.Med.Chem., 53, 2010
3IUT	The Crystal Structure of Cruzain in Complex with a Tetrafluorophenoxymethyl Ketone Inhibitor 分子名称: (3S)-3-(4-{(1S)-1,2-dimethyl-1-[(quinolin-6-ylmethyl)amino]propyl}-1H-1,2,3-triazol-1-yl)heptan-2-one, 1,2-ETHANEDIOL, Cruzipain 著者 Kerr, I.D, Debnath, M, Brinen, L.S. 登録日 2009-08-31 公開日 2010-03-02 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Nonpeptidic tetrafluorophenoxymethyl ketone cruzain inhibitors as promising new leads for chagas disease chemotherapy. J.Med.Chem., 53, 2010
3FH5	Leukotriene A4 Hydrolase complexed with inhibitor (2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine. 分子名称: (2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine, ACETATE ION, GLYCEROL, ... 著者 Mamat, B, Davies, D.R. 登録日 2008-12-08 公開日 2010-01-05 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis. J.Med.Chem., 53, 2010
3FH8	Leukotriene A4 Hydrolase complexed with inhibitor 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine. 分子名称: 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine, ACETATE ION, IMIDAZOLE, ... 著者 Mamat, B, Davies, D.R. 登録日 2008-12-09 公開日 2010-01-05 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis. J.Med.Chem., 53, 2010
3K3B	Co-crystal structure of the human kinesin Eg5 with a novel tetrahydro-beta-carboline 分子名称: 3-[(1R)-2-acetyl-6-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl]phenol, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... 著者 Bussiere, D.E, Bellamacina, C, Le, V. 登録日 2009-10-02 公開日 2009-12-15 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 The discovery of tetrahydro-beta-carbolines as inhibitors of the kinesin Eg5. Bioorg.Med.Chem.Lett., 20, 2010
4GTV	Engineered RabGGTase in complex with BMS analogue 13 分子名称: 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl diethylcarbamate, CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, ... 著者 Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S. 登録日 2012-08-29 公開日 2012-10-24 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Development of Selective, Potent RabGGTase Inhibitors J.Med.Chem., 55, 2012
4MTI	Crystal structure of cIAP1 BIR3 bound to T3258042 分子名称: (3S,8aR)-2-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)butanoyl]amino}acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION 著者 Snell, G.P, Dougan, D.R. 登録日 2013-09-19 公開日 2013-12-11 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Design, synthesis, and biological activities of novel hexahydropyrazino[1,2-a]indole derivatives as potent inhibitors of apoptosis (IAP) proteins antagonists with improved membrane permeability across MDR1 expressing cells. Bioorg.Med.Chem., 21, 2013
3FTY	Leukotriene A4 hydrolase in complex with fragment 3-(benzyloxy)pyridin-2-amine 分子名称: 3-(BENZYLOXY)PYRIDIN-2-AMINE, ACETATE ION, IMIDAZOLE, ... 著者 Davies, D.R. 登録日 2009-01-13 公開日 2009-07-28 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
3FUF	Leukotriene A4 hydrolase in complex with fragment 5-fluoroindole and bestatin 分子名称: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 5-fluoro-1H-indole, IMIDAZOLE, ... 著者 Davies, D.R. 登録日 2009-01-14 公開日 2009-07-28 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
3FU3	Leukotriene A4 hydrolase in complex with fragment 4-(2-amino-1,3-thiazol-4-yl)phenol 分子名称: 4-(2-amino-1,3-thiazol-4-yl)phenol, ACETATE ION, IMIDAZOLE, ... 著者 Davies, D.R. 登録日 2009-01-13 公開日 2009-07-28 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
3FUK	Leukotriene A4 hydrolase in complex with 1-[2-(1H-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid 分子名称: 1-[2-(1H-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid, ACETATE ION, IMIDAZOLE, ... 著者 Davies, D.R. 登録日 2009-01-14 公開日 2009-07-28 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
3FTZ	Leukotriene A4 hydrolase in complex with fragment 2-(pyridin-3-ylmethoxy)aniline 分子名称: 2-(pyridin-3-ylmethoxy)aniline, ACETATE ION, IMIDAZOLE, ... 著者 Davies, D.R. 登録日 2009-01-13 公開日 2010-01-05 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis. J.Med.Chem., 53, 2010
3FTX	Leukotriene A4 hydrolase in complex with dihydroresveratrol and bestatin 分子名称: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol, ACETATE ION, ... 著者 Davies, D.R. 登録日 2009-01-13 公開日 2009-07-28 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
3FU0	Leukotriene A4 hydrolase in complex with fragment 4-(4-fluorobenzoyl)pyridine 分子名称: (4-fluorophenyl)(pyridin-4-yl)methanone, ACETATE ION, IMIDAZOLE, ... 著者 Davies, D.R. 登録日 2009-01-13 公開日 2009-07-28 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
3FUI	Leukotriene A4 hydrolase in complex with N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline 分子名称: IMIDAZOLE, Leukotriene A-4 hydrolase, N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline, ... 著者 Davies, D.R. 登録日 2009-01-14 公開日 2009-07-28 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
3FUH	Leukotriene A4 hydrolase in complex with fragment 5-hydroxyindole and bestatin 分子名称: 1H-indol-5-ol, 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, IMIDAZOLE, ... 著者 Davies, D.R. 登録日 2009-01-14 公開日 2009-07-28 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
4MU7	Crystal structure of cIAP1 BIR3 bound to T3450325 分子名称: (3S,10aS)-2-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)butanoyl]amino}acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION 著者 Snell, G.P, Dougan, D.R. 登録日 2013-09-20 公開日 2013-12-11 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Design, synthesis, and biological activities of novel hexahydropyrazino[1,2-a]indole derivatives as potent inhibitors of apoptosis (IAP) proteins antagonists with improved membrane permeability across MDR1 expressing cells. Bioorg.Med.Chem., 21, 2013
3FTU	Leukotriene A4 hydrolase in complex with dihydroresveratrol 分子名称: 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol, ACETATE ION, IMIDAZOLE, ... 著者 Davies, D.R. 登録日 2009-01-13 公開日 2009-07-28 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009

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