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

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2HHN	Cathepsin S in complex with non covalent arylaminoethyl amide. 分子名称: Cathepsin S, N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE, SULFATE ION 著者 Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S, Kulathila, R, Clark, K. 登録日 2006-06-28 公開日 2007-05-08 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers Bioorg.Med.Chem.Lett., 16, 2006
2HXZ	Crystal Structure of Cathepsin S in complex with a Nonpeptidic Inhibitor (Hexagonal spacegroup) 分子名称: Cathepsin S, N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE, SULFATE ION 著者 Patterson, A.W, Wood, W.J, Hornsby, M, Lesley, S, Spraggon, G, Ellman, J.A. 登録日 2006-08-04 公開日 2006-10-24 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Identification of selective, nonpeptidic nitrile inhibitors of cathepsin s using the substrate activity screening method. J.Med.Chem., 49, 2006
2IPP	Crystal Structure of the tetragonal form of human liver cathepsin B 分子名称: 2-PYRIDINETHIOL, Cathepsin B 著者 Huber, C.P, Campbell, R.L, Hasnain, S, Hirama, T, To, R. 登録日 2006-10-12 公開日 2006-12-12 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Crystal Structure of the tetragonal form of human liver cathepsin B To be Published
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
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
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
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
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
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
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
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
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
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
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
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
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
1CQD	THE 2.1 ANGSTROM STRUCTURE OF A CYSTEINE PROTEASE WITH PROLINE SPECIFICITY FROM GINGER RHIZOME, ZINGIBER OFFICINALE 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (PROTEASE II), ... 著者 Choi, K.H, Laursen, R.A, Allen, K.N. 登録日 1999-06-15 公開日 1999-09-28 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 The 2.1 A structure of a cysteine protease with proline specificity from ginger rhizome, Zingiber officinale. Biochemistry, 38, 1999
1CTE	CRYSTAL STRUCTURES OF RECOMBINANT RAT CATHEPSIN B AND A CATHEPSIN B-INHIBITOR COMPLEX: IMPLICATIONS FOR STRUCTURE-BASED INHIBITOR DESIGN 分子名称: 2-PYRIDINETHIOL, CATHEPSIN B 著者 Huber, C.P, Jia, Z. 登録日 1995-05-03 公開日 1995-07-31 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal structures of recombinant rat cathepsin B and a cathepsin B-inhibitor complex. Implications for structure-based inhibitor design. J.Biol.Chem., 270, 1995
1CVZ	CRYSTAL STRUCTURE ANALYSIS OF PAPAIN WITH CLIK148(CATHEPSIN L SPECIFIC INHIBITOR) 分子名称: N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-ETHYL)-SUCCINAMIDE, PAPAIN 著者 Tsuge, H. 登録日 1999-08-24 公開日 2000-08-30 最終更新日 2022-12-21 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Inhibition mechanism of cathepsin L-specific inhibitors based on the crystal structure of papain-CLIK148 complex. Biochem.Biophys.Res.Commun., 266, 1999
1CPJ	CRYSTAL STRUCTURES OF RECOMBINANT RAT CATHEPSIN B AND A CATHEPSIN B-INHIBITOR COMPLEX: IMPLICATIONS FOR STRUCTURE-BASED INHIBITOR DESIGN 分子名称: CATHEPSIN B 著者 Huber, C.P, Jia, Z. 登録日 1995-07-17 公開日 1995-12-07 最終更新日 2021-11-03 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal structures of recombinant rat cathepsin B and a cathepsin B-inhibitor complex. Implications for structure-based inhibitor design. J.Biol.Chem., 270, 1995
1DEU	CRYSTAL STRUCTURE OF HUMAN PROCATHEPSIN X: A CYSTEINE PROTEASE WITH THE PROREGION COVALENTLY LINKED TO THE ACTIVE SITE CYSTEINE 分子名称: PROCATHEPSIN X 著者 Sivaraman, J, Nagler, D.K, Zhang, R, Menard, R, Cygler, M. 登録日 1999-11-15 公開日 2000-02-18 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal structure of human procathepsin X: a cysteine protease with the proregion covalently linked to the active site cysteine. J.Mol.Biol., 295, 2000

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