PDB: 457 件ウェブページステータス検索Chemie searchBIRD

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3IEJ	Pyrazole-based Cathepsin S Inhibitors with Arylalkynes as P1 Binding Elements 分子名称: 2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol, Cathepsin S 著者 Bembenek, S. 登録日 2009-07-22 公開日 2009-10-06 最終更新日 2021-10-13 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Pyrazole-based cathepsin S inhibitors with arylalkynes as P1 binding elements. Bioorg.Med.Chem.Lett., 19, 2009
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
3I06	Crystal structure of cruzain covalently bound to a purine nitrile 分子名称: 6-[(3,5-difluorophenyl)amino]-9-ethyl-9H-purine-2-carbonitrile, Cruzipain 著者 Ferreira, R.S, Shoichet, B.K, McKerrow, J.H. 登録日 2009-06-24 公開日 2009-12-15 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Identification and optimization of inhibitors of trypanosomal cysteine proteases: cruzain, rhodesain, and TbCatB. J.Med.Chem., 53, 2010
3HHA	Crystal structure of cathepsin L in complex with AZ12878478 分子名称: ACETATE ION, Cathepsin L1, GLYCEROL, ... 著者 Asaad, N, Bethel, P.A, Coulson, M.D, Dawson, J, Ford, S.J, Gerhardt, S, Grist, M, Hamlin, G.A, James, M.J, Jones, E.V, Karoutchi, G.I, Kenny, P.W, Morley, A.D, Oldham, K, Rankine, N, Ryan, D, Wells, S.L, Wood, L, Augustin, M, Krapp, S, Simader, H, Steinbacher, S. 登録日 2009-05-15 公開日 2009-06-23 最終更新日 2021-10-13 実験手法 X-RAY DIFFRACTION (1.27 Å) 主引用文献 Dipeptidyl nitrile inhibitors of Cathepsin L. Bioorg.Med.Chem.Lett., 19, 2009
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
3HWN	CATHEPSIN L with AZ13010160 分子名称: Cathepsin L1, Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2E)-2-iminoethyl]-3-{5-[(Z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-L-phenylalaninamide 著者 Kenny, P, Morley, A. 登録日 2009-06-18 公開日 2009-09-15 最終更新日 2021-10-13 実験手法 X-RAY DIFFRACTION (2.33 Å) 主引用文献 Design of selective Cathepsin inhibitors Bioorg.Med.Chem.Lett., 19, 2009
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
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
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
3P5V	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 (1.9 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
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
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
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
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
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
3PNR	Structure of PbICP-C in complex with falcipain-2 分子名称: CADMIUM ION, Falcipain 2, GLYCEROL, ... 著者 Hansen, G, Hilgenfeld, R. 登録日 2010-11-19 公開日 2011-07-27 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structural basis for the regulation of cysteine-protease activity by a new class of protease inhibitors in Plasmodium. Structure, 19, 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
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
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
3QSD	Structure of cathepsin B1 from Schistosoma mansoni in complex with CA074 inhibitor 分子名称: ACETATE ION, Cathepsin B-like peptidase (C01 family), DI(HYDROXYETHYL)ETHER, ... 著者 Rezacova, P, Jilkova, A, Brynda, J, Horn, M, Mares, M. 登録日 2011-02-21 公開日 2011-08-10 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Structural Basis for Inhibition of Cathepsin B Drug Target from the Human Blood Fluke, Schistosoma mansoni. J.Biol.Chem., 286, 2011
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
1CSB	Crystal structure of cathepsin b inhibited with CA030 at 2.1 angstroms resolution: A basis for the design of specific epoxysuccinyl inhibitors 分子名称: CATHEPSIN B heavy chain, CATHEPSIN B light chain, N-[(3R)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-L-isoleucyl-L-proline 著者 Turk, D, Bode, W. 登録日 1994-12-09 公開日 1996-04-03 最終更新日 2012-12-12 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structure of cathepsin B inhibited with CA030 at 2.0-A resolution: A basis for the design of specific epoxysuccinyl inhibitors. Biochemistry, 34, 1995
2DC6	X-ray crystal structure analysis of bovine spleen cathepsin B-CA073 complex 分子名称: BENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE, GLYCEROL, PHOSPHATE ION, ... 著者 Watanabe, D. 登録日 2005-12-28 公開日 2006-01-24 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Quantitative estimation of each active subsite of cathepsin B for the inhibitory activity, based on the inhibitory activitybinding mode relationship of a series of epoxysuccinyl inhibitors by X-ray crystal structure analyses of the complexes To be Published
2DC7	X-ray crystal structure analysis of bovine spleen cathepsin B-CA042 complex 分子名称: CATHEPSIN B, GLYCEROL, N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE, ... 著者 Watanabe, D. 登録日 2005-12-31 公開日 2006-01-24 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Quantitative estimation of each active subsite of cathepsin B for the inhibitory activity, based on the inhibitory activitybinding mode relationship of a series of epoxysuccinyl inhibitors by X-ray crystal structure analyses of the complexes To be Published
2DCC	X-ray crystal structure analysis of bovine spleen cathepsin B-CA077 complex 分子名称: BENZYL N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE, CATHEPSIN B, GLYCEROL, ... 著者 Watanabe, D. 登録日 2006-01-01 公開日 2006-01-24 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Quantitative estimation of each active subsite of cathepsin B for the inhibitory activity, based on the inhibitory activitybinding mode relationship of a series of epoxysuccinyl inhibitors by X-ray crystal structure analyses of the complexes To be Published

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