PDB: 454 件ウェブページステータス検索Chemie searchBIRD

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2XU1	CATHEPSIN L WITH A NITRILE INHIBITOR 分子名称: (2S,4R)-1-[1-(4-chlorophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide, CATHEPSIN L1 著者 Banner, D.W, Benz, J.M, Steinbacher, S, Haap, W. 登録日 2010-10-14 公開日 2011-01-12 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Systematic Investigation of Halogen Bonding in Protein-Ligand Interactions. Angew.Chem.Int.Ed.Engl., 50, 2011
2XU3	CATHEPSIN L WITH A NITRILE INHIBITOR 分子名称: (2S,4R)-4-(2-chlorophenyl)sulfonyl-1-[1-(5-chlorothiophen-2-yl)cyclopropyl]carbonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CATHEPSIN L1, ... 著者 Banner, D.W, Benz, J.M, Haap, W. 登録日 2010-10-14 公開日 2011-01-12 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (0.9 Å) 主引用文献 Systematic Investigation of Halogen Bonding in Protein-Ligand Interactions. Angew.Chem.Int.Ed.Engl., 50, 2011
2YJB	CATHEPSIN L WITH A NITRILE INHIBITOR 分子名称: (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]carbonyl-pyrrolidine-2-carboxamide, CATHEPSIN L1, GLYCEROL 著者 Banner, D.W, Benz, J.M, Haap, W. 登録日 2011-05-19 公開日 2011-11-23 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Halogen Bonding at the Active Sites of Human Cathepsin L and Mek1 Kinase: Efficient Interactions in Different Environments. Chemmedchem, 6, 2011
2XU4	CATHEPSIN L WITH A NITRILE INHIBITOR 分子名称: (2S,4R)-4-(2-chlorophenyl)sulfonyl-1-[1-(4-fluorophenyl)cyclopropyl]carbonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide, CATHEPSIN L1, GLYCEROL 著者 Banner, D.W, Benz, J.M, Haap, W. 登録日 2010-10-14 公開日 2011-01-12 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 Systematic Investigation of Halogen Bonding in Protein-Ligand Interactions. Angew.Chem.Int.Ed.Engl., 50, 2011
2XU5	CATHEPSIN L WITH A NITRILE INHIBITOR 分子名称: (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-(4-methylphenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide, CATHEPSIN L1, CITRATE ANION, ... 著者 Banner, D.W, Benz, J.M, Haap, W. 登録日 2010-10-14 公開日 2011-01-12 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Systematic Investigation of Halogen Bonding in Protein-Ligand Interactions. Angew.Chem.Int.Ed.Engl., 50, 2011
2YJ8	CATHEPSIN L WITH A NITRILE INHIBITOR 分子名称: (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-(4-iodophenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide, CATHEPSIN L1, GLYCEROL 著者 Banner, D.W, Benz, J.M, Haap, W. 登録日 2011-05-19 公開日 2011-11-23 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Halogen Bonding at the Active Sites of Human Cathepsin L and Mek1 Kinase: Efficient Interactions in Different Environments. Chemmedchem, 6, 2011
3AI8	Cathepsin B in complex with the nitroxoline 分子名称: 5-nitroquinolin-8-ol, Cathepsin B 著者 Renko, M, Mirkovic, B, Gobec, S, Kos, J, Turk, D. 登録日 2010-05-11 公開日 2011-05-18 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Novel mechanism of cathepsin B inhibition by antibiotic nitroxoline and related compounds Chemmedchem, 6, 2011
3BCN	Crystal structure of a papain-like cysteine protease Ervatamin-A complexed with irreversible inhibitor E-64 分子名称: BETA-MERCAPTOETHANOL, Ervatamin-A, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE 著者 Ghosh, R, Chakrabarti, C, Dattagupta, J.K, Biswas, S. 登録日 2007-11-13 公開日 2007-11-27 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Structural insights into the substrate specificity and activity of ervatamins, the papain-like cysteine proteases from a tropical plant, Ervatamia coronaria Febs J., 275, 2008
3BC3	Exploring inhibitor binding at the S subsites of cathepsin L 分子名称: Cathepsin L heavy and light chains, S-benzyl-N-(biphenyl-4-ylacetyl)-L-cysteinyl-N~5~-(diaminomethyl)-D-ornithyl-N-(2-phenylethyl)-L-tyrosinamide 著者 Chowdhury, S.F, Joseph, L, Kumar, S, Tulsidas, S.R, Bhat, S, Ziomek, E, Nard, R.M, Sivaraman, J, Purisima, E.O. 登録日 2007-11-12 公開日 2008-03-18 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Exploring inhibitor binding at the S' subsites of cathepsin L J.Med.Chem., 51, 2008
3C9E	Crystal structure of the cathepsin K : chondroitin sulfate complex. 分子名称: 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid, CALCIUM ION, Cathepsin K, ... 著者 Kienetz, M, Cherney, M.M, James, M.N.G, Bromme, D. 登録日 2008-02-15 公開日 2008-08-26 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 The crystal and molecular structures of a cathepsin K:chondroitin sulfate complex. J.Mol.Biol., 383, 2008
3BPM	Crystal Structure of Falcipain-3 with Its inhibitor, Leupeptin 分子名称: Cysteine protease falcipain-3, Leupeptin, SULFATE ION 著者 kerr, I.D, Lee, J.H, Brinen, L.S. 登録日 2007-12-18 公開日 2008-12-30 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structures of falcipain-2 and falcipain-3 bound to small molecule inhibitors: implications for substrate specificity. J.Med.Chem., 52, 2009
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
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
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
3P5W	Actinidin from Actinidia arguta planch (Sarusashi) 分子名称: Actinidin, CADMIUM ION 著者 Manickam, Y, Nirmal, N, Suzuki, A, Sugiyama, Y, Yamane, T, Devadasan, V, Sharma, A. 登録日 2010-10-11 公開日 2010-11-03 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural analysis of actinidin and a comparison of cadmium and sulfur anomalous signals from actinidin crystals measured using in-house copper- and chromium-anode X-ray sources Acta Crystallogr.,Sect.D, 66, 2010
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
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
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
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
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
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
3P5U	Actinidin from Actinidia arguta planch (Sarusashi) 分子名称: Actinidin, CADMIUM ION 著者 Manickam, Y, Nirmal, N, Suzuki, A, Sugiyama, Y, Yamane, T, Devadasan, V, Sharma, A. 登録日 2010-10-11 公開日 2010-11-03 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structural analysis of actinidin and a comparison of cadmium and sulfur anomalous signals from actinidin crystals measured using in-house copper- and chromium-anode X-ray sources Acta Crystallogr.,Sect.D, 66, 2010
3P5X	Actinidin from Actinidia arguta planch (Sarusashi) 分子名称: Actinidin, CADMIUM ION 著者 Manickam, Y, Nirmal, N, Suzuki, A, Sugiyama, Y, Yamane, T, Devadasan, V, Sharma, A. 登録日 2010-10-11 公開日 2010-11-03 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural analysis of actinidin and a comparison of cadmium and sulfur anomalous signals from actinidin crystals measured using in-house copper- and chromium-anode X-ray sources Acta Crystallogr.,Sect.D, 66, 2010

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