PDB: 453 件ウェブページステータス検索Chemie searchBIRD

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3OVZ	Cathepsin K in complex with a covalent inhibitor with a ketoamide warhead 分子名称: Cathepsin K, N-[(1S)-3-amino-1-ethyl-2,3-dioxopropyl]-2-chloro-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide, SULFATE ION 著者 Fradera, X, van Zeeland, M, Uitdehaag, J.C.M. 登録日 2010-09-17 公開日 2010-12-22 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Trifluoromethylphenyl as P2 for ketoamide-based cathepsin S inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
3OVX	Cathepsin S in complex with a covalent inhibitor with an aldehyde warhead 分子名称: 2-chloro-N-[(1S)-1-formylpropyl]-3-(trifluoromethyl)benzamide, Cathepsin S, DIMETHYL SULFOXIDE 著者 Fradera, X, van Zeeland, M, Uitdehaag, J.C.M. 登録日 2010-09-17 公開日 2010-12-22 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Trifluoromethylphenyl as P2 for ketoamide-based cathepsin S inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
3OIS	Crystal Structure Xylellain, a cysteine protease from Xylella fastidiosa 分子名称: Cysteine protease, URIDINE-5'-DIPHOSPHATE 著者 Leite, N.R, Faro, A.R, Oliva, M.A.V, Thiemann, O.H, Oliva, G. 登録日 2010-08-19 公開日 2011-08-03 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 The crystal structure of the cysteine protease Xylellain from Xylella fastidiosa reveals an intriguing activation mechanism. Febs Lett., 587, 2013
3OF9	Structural Basis for Irreversible Inhibition of Human Cathepsin L by a Diazomethylketone Inhibitor 分子名称: Cathepsin L1, Nalpha-[(benzyloxy)carbonyl]-N-[(1S)-1-(4-tert-butoxybenzyl)-3-diazo-2-oxopropyl]-L-phenylalaninamide 著者 Shenoy, R.T, Sivaraman, J. 登録日 2010-08-14 公開日 2010-12-08 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.761 Å) 主引用文献 Structural basis for reversible and irreversible inhibition of human cathepsin L by their respective dipeptidyl glyoxal and diazomethylketone inhibitors. J.Struct.Biol., 173, 2011
3OF8	Structural Basis for Reversible and Irreversible Inhibition of Human Cathepsin L by their Respective Dipeptidyl Glyoxal and Diazomethylketone Inhibitors 分子名称: Cathepsin L1, Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-(4-tert-butoxyphenyl)-4-hydroxy-3-oxobutan-2-yl]-L-phenylalaninamide 著者 Shenoy, R.T, Sivaraman, J. 登録日 2010-08-14 公開日 2010-12-08 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural basis for reversible and irreversible inhibition of human cathepsin L by their respective dipeptidyl glyoxal and diazomethylketone inhibitors. J.Struct.Biol., 173, 2011
3O1G	Cathepsin K covalently bound to a 2-cyano pyrimidine inhibitor with a benzyl P3 group. 分子名称: Cathepsin K, N-benzyl-3-(2-cyano-6-propylpyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)benzamide, SULFATE ION 著者 Fradera, X, van Zeeland, M, Uitdehaag, J.C.M. 登録日 2010-07-21 公開日 2010-10-06 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Optimisation of 2-cyano-pyrimidine inhibitors of cathepsin K: improving selectivity over hERG. Bioorg.Med.Chem.Lett., 20, 2010
3O0U	Cathepsin K covalently bound to a cyano-pyrimidine inhibitor with improved selectivity over hERG 分子名称: 3-{2-[(E)-iminomethyl]-6-propylpyrimidin-4-yl}-N,N-dimethyl-5-(trifluoromethyl)benzamide, Cathepsin K 著者 Fradera, X, van Zeeland, M, Uitdehaag, J.C.M. 登録日 2010-07-20 公開日 2011-03-30 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Optimisation of 2-cyano-pyrimidine inhibitors of cathepsin K: improving selectivity over hERG. Bioorg.Med.Chem.Lett., 20, 2010
3N4C	6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors 分子名称: (E)-1-(1-methyl-6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}-1H-imidazo[4,5-c]pyridin-4-yl)methanimine, Cathepsin S, DIMETHYL SULFOXIDE, ... 著者 Fradera, X, Uitdehaag, J.C.M, van Zeeland, M. 登録日 2010-05-21 公開日 2011-04-06 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
3N3G	4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important 分子名称: (E)-1-(6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridin-2-yl)methanimine, 6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile, Cathepsin S, ... 著者 Fradera, X, Uitdehaag, J.C.M, van Zeeland, M. 登録日 2010-05-20 公開日 2010-07-14 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important. Bioorg.Med.Chem.Lett., 20, 2010
3MOR	Crystal structure of Cathepsin B from Trypanosoma Brucei 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Cathepsin B-like cysteine protease, ... 著者 Cupelli, K, Stehle, T. 登録日 2010-04-23 公開日 2011-11-02 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 In vivo protein crystallization opens new routes in structural biology. Nat.Methods, 9, 2012
3LXS	Crystal structure analysis of cruzain bound to vinyl sulfone derived inhibitor (WRR483) 分子名称: (Z)-N-(5-GUANIDINO-1-OXO-1-(5-PHENYL-1-(PHENYLSULFONYL)PENT-1-EN-3-YLAMINO)PENTAN-2-YL)-4-METHYLPIPERAZINE-1-CARBOXAMID E, 1,2-ETHANEDIOL, Cruzain, ... 著者 Kerr, I.D, Brinen, L.S. 登録日 2010-02-25 公開日 2010-10-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 In vitro and in vivo studies of the trypanocidal properties of WRR-483 against Trypanosoma cruzi. Plos Negl Trop Dis, 4, 2010
3LFY	CTD of Tarocystatin in complex with papain 分子名称: ASPARAGINE, GLYCINE, Papain, ... 著者 Chu, M.H, Liu, K.L, Yeh, K.W, Cheng, Y.S. 登録日 2010-01-19 公開日 2010-07-21 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Crystal structure of tarocystatin-papain complex: implications for the inhibition property of group-2 phytocystatins. Planta, 234, 2011
3KX1	Cathepsin K in complex with a selective 2-cyano-pyrimidine inhibitor 分子名称: 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile, Cathepsin K, SULFATE ION 著者 Fradera, X, Uitdehaag, J.C.M, van Zeeland, M. 登録日 2009-12-02 公開日 2010-03-02 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.51 Å) 主引用文献 Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors Bioorg.Med.Chem.Lett., 20, 2010
3KWZ	Cathepsin K in complex with a non-selective 2-cyano-pyrimidine inhibitor 分子名称: 4-(3-piperidin-1-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile, Cathepsin K, SULFATE ION 著者 Fradera, X, Uitdehaag, J.C.M, van Zeeland, M. 登録日 2009-12-02 公開日 2010-03-02 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors Bioorg.Med.Chem.Lett., 20, 2010
3KWB	Structure of CatK covalently bound to a dioxo-triazine inhibitor 分子名称: 3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile, Cathepsin K 著者 Uitdehaag, J.C.M, van Zeeland, M. 登録日 2009-12-01 公開日 2010-04-07 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Dioxo-triazines as a novel series of cathepsin K inhibitors Bioorg.Med.Chem.Lett., 20, 2010
3KW9	X-ray structure of Cathepsin K covalently bound to a triazine ligand 分子名称: 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile, Cathepsin K, trifluoroacetic acid 著者 Uitdehaag, J.C.M, van Zeeland, M. 登録日 2009-12-01 公開日 2010-03-02 最終更新日 2017-11-01 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
3KSE	Unreduced cathepsin L in complex with stefin A 分子名称: Cathepsin L1, Cystatin-A 著者 Renko, M, Turk, D. 登録日 2009-11-22 公開日 2010-12-01 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 Unreduced cathepsin L in complex with stefin A To be Published
3KKU	Cruzain in complex with a non-covalent ligand 分子名称: 1,2-ETHANEDIOL, Cruzipain, N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide, ... 著者 Ferreira, R.S, Eidam, O, Shoichet, B.K. 登録日 2009-11-06 公開日 2010-07-07 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.28 Å) 主引用文献 Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors. J.Med.Chem., 53, 2010
3KFQ	Unreduced cathepsin V in complex with stefin A 分子名称: Cathepsin L2, Cystatin-A 著者 Renko, M, Turk, D. 登録日 2009-10-27 公開日 2010-11-03 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Unreduced cathepsin V in complex with stefin A To be Published
3K9M	Cathepsin B in complex with stefin A 分子名称: Cathepsin B, Cystatin-A 著者 Renko, M, Turk, D. 登録日 2009-10-16 公開日 2009-11-03 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.61 Å) 主引用文献 Stefin A displaces the occluding loop of cathepsin B only by as much as required to bind to the active site cleft Febs J., 277, 2010
3K24	Crystal structure of mature apo-Cathepsin L C25A mutant in complex with Gln-Leu-Ala peptide 分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-6)-beta-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-2)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin L1, ... 著者 Adams-Cioaba, M.A, Krupa, J.C, Mort, J.S, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) 登録日 2009-09-29 公開日 2010-03-23 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural basis for the recognition and cleavage of histone H3 by cathepsin L. Nat Commun, 2, 2011
3IV2	Crystal structure of mature apo-Cathepsin L C25A mutant 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin L1, GLYCEROL, ... 著者 Adams-Cioaba, M.A, Krupa, J.C, Mort, J.S, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J. 登録日 2009-08-31 公開日 2010-03-23 最終更新日 2021-10-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural basis for the recognition and cleavage of histone H3 by cathepsin L. Nat Commun, 2, 2011
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
3IOQ	Crystal structure of the Carica candamarcensis cysteine protease CMS1MS2 in complex with E-64. 分子名称: 1,2-ETHANEDIOL, CMS1MS2, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, ... 著者 Gomes, M.T.R, Teixeira, R.D, Salas, C.E, Nagem, R.A.P. 登録日 2009-08-14 公開日 2010-02-16 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Crystal structure of the Carica candamarcensis cysteine protease CMS1MS2 in complex with E-64 To be Published
3IMA	Complex structure of tarocystatin and papain 分子名称: ACETATE ION, Cysteine proteinase inhibitor, Papain 著者 Chu, M.H, Liu, K.L, Yeh, K.W, Cheng, Y.S. 登録日 2009-08-10 公開日 2010-02-16 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Crystal structure of tarocystatin-papain complex: implications for the inhibition property of group-2 phytocystatins. Planta, 234, 2011

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