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

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1YK8	Cathepsin K complexed with a cyanamide-based inhibitor 分子名称: Cathepsin K, TERT-BUTYL 2-CYANO-2-METHYLHYDRAZINECARBOXYLATE 著者 Barrett, D.G, Deaton, D.N, Hassell, A.M, McFadyen, R.B, Miller, A.B, Miller, L.R, Payne, J.A, Shewchuk, L.M, Willard, D.H, Wright, L.L. 登録日 2005-01-17 公開日 2005-07-19 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Acyclic cyanamide-based inhibitors of cathepsin K. Bioorg.Med.Chem.Lett., 15, 2005
1YK7	Cathepsin K complexed with a cyanopyrrolidine inhibitor 分子名称: Cathepsin K, N2-[(BENZYLOXY)CARBONYL]-N1-[(3S)-1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE 著者 Barrett, D.G, Deaton, D.N, Hassell, A.M, McFadyen, R.B, Miller, A.B, Miller, L.R, Shewchuk, L.M, Tavares, F.X, Willard, D.H, Wright, L.L. 登録日 2005-01-17 公開日 2005-03-22 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Novel and potent cyclic cyanamide-based cathepsin K inhibitors. Bioorg.Med.Chem.Lett., 15, 2005
1YT7	Cathepsin K complexed with a constrained ketoamide inhibitor 分子名称: (1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2-YL}METHYL)PROPYL (1S)-1-{OXO[(2-OXO-1,3-OXAZOLIDIN-3-YL)AMINO]ACETYL}PENTYLCARBAMATE, Cathepsin K, SULFATE ION 著者 Barrett, D.G, Boncek, V.M, Catalano, J.G, Deaton, D.N, Hassell, A.M, Jurgensen, C.H, Long, S.T, McFadyen, R.B, Miller, A.B, Miller, L.R, Payne, J.A, Ray, J.A, Samano, V, Shewchuk, L.M, Tavares, F.X, Wells-Knecht, K.J, Willard, D.H, Wright, L.L, Zhou, H.Q. 登録日 2005-02-10 公開日 2005-07-19 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 P(2)-P(3) conformationally constrained ketoamide-based inhibitors of cathepsin K. Bioorg.Med.Chem.Lett., 15, 2005
2WBF	Crystal Structure Analysis of SERA5E from plasmodium falciparum with loop 690-700 ordered 分子名称: CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... 著者 Smith, B.J, Malby, R.L, Colman, P.M, Clarke, O.B. 登録日 2009-02-27 公開日 2009-03-31 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural insights into the protease-like antigen Plasmodium falciparum SERA5 and its noncanonical active-site serine. J. Mol. Biol., 392, 2009
4AXM	TRIAZINE CATHEPSIN INHIBITOR COMPLEX 分子名称: 4-[(4-chlorobenzyl)(cyclohexyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide, CATHEPSIN L1, GLYCEROL 著者 Ehmke, V, Diederich, F, Banner, D.W, Benz, J. 登録日 2012-06-13 公開日 2013-05-08 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Optimization of Triazine Nitriles as Rhodesain Inhibitors: Structure-Activity Relationships, Bioisosteric Imidazopyridine Nitriles, and X-Ray Crystal Structure Analysis with Human Cathepsin L Chemmedchem, 8, 2013
4AXL	HUMAN CATHEPSIN L APO FORM WITH ZN 分子名称: ACETATE ION, CATHEPSIN L1, GLYCEROL, ... 著者 Banner, D.W, Benz, J. 登録日 2012-06-13 公開日 2013-05-08 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Optimization of Triazine Nitriles as Rhodesain Inhibitors: Structure-Activity Relationships, Bioisosteric Imidazopyridine Nitriles, and X-Ray Crystal Structure Analysis with Human Cathepsin L Chemmedchem, 8, 2013
4BSQ	MOUSE CATHEPSIN S WITH COVALENT LIGAND 分子名称: (1R,2R,4R)-N-(2-azanylideneethyl)-2-morpholin-4-ylcarbonyl-4-(phenylsulfonyl)cyclopentane-1-carboxamide, CATHEPSIN S, SULFATE ION 著者 Banner, D.W, Benz, J, Gsell, B, Stihle, M, Ruf, A, Hilpert, H. 登録日 2013-06-11 公開日 2013-11-27 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Identification of Potent and Selective Cathepsin S (Cats) Inhibitors Containing Different Central Cyclic Scaffolds. J.Med.Chem., 56, 2013
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
4BQV	MOUSE CATHEPSIN S WITH COVALENT LIGAND 分子名称: (2S,4R)-N-(1-cyanocyclopropyl)-1-(1-methylcyclopropanecarbonyl)-4-[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide, CATHEPSIN S 著者 Banner, D.W, Benz, J, Gsell, B, Stihle, M, Ruf, A, Haap, W. 登録日 2013-06-03 公開日 2014-06-18 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Cathepsin S Nitrile Inhibitors To be Published
4BPV	MOUSE CATHEPSIN S WITH COVALENT LIGAND 分子名称: (4R)-4-[(2-chloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide, CATHEPSIN S 著者 Banner, D.W, Benz, J, Gsell, B, Stihle, M, Ruf, A, Haap, W. 登録日 2013-05-28 公開日 2014-06-11 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Cathepsin S Nitrile Inhibitors To be Published
4BS5	MOUSE CATHEPSIN S WITH COVALENT LIGAND 分子名称: (2S,4R)-N-[1-(iminomethyl)cyclopropyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-2-carboxamide, CATHEPSIN S 著者 Banner, D.W, Benz, J, Gsell, B, Stihle, M, Ruf, A, Haap, W. 登録日 2013-06-07 公開日 2013-11-27 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Identification of Potent and Selective Cathepsin S (Cats) Inhibitors Containing Different Central Cyclic Scaffolds. J.Med.Chem., 56, 2013
4BS6	MOUSE CATHEPSIN S WITH COVALENT LIGAND 分子名称: (2S,4R)-4-[2-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-(trifluoromethyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide, CATHEPSIN S, GLYCEROL 著者 Banner, D.W, Benz, J, Gsell, B, Stihle, M, Ruf, A, Haap, W. 登録日 2013-06-07 公開日 2014-06-18 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Cathepsin S Nitrile Inhibitors To be Published
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
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
2YJ9	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 実験手法 X-RAY DIFFRACTION (1.35 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
2YJC	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, Haap, W. 登録日 2011-05-19 公開日 2011-11-23 最終更新日 2011-11-30 実験手法 X-RAY DIFFRACTION (1.14 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
2YJ2	CATHEPSIN L WITH A NITRILE INHIBITOR 分子名称: (2S,4R)-1-[1-(4-BROMOPHENYL)CYCLOPROPYL]CARBONYL-4-(2-CHLOROPHENYL)SULFONYL-N-[1-(IMINOMETHYL)CYCLOPROPYL]PYRROLIDINE-2-CARBOXAMIDE, CATHEPSIN L1, GLYCEROL 著者 Banner, D.W, Benz, J.M, Haap, W. 登録日 2011-05-18 公開日 2011-11-23 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.15 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
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
4DMX	Cathepsin K inhibitor 分子名称: (1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide, Cathepsin K, GLYCEROL 著者 Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M. 登録日 2012-02-08 公開日 2012-07-11 最終更新日 2018-01-24 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis. J.Med.Chem., 55, 2012
4DMY	Cathepsin K inhibitor 分子名称: (1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide, Cathepsin K, GLYCEROL, ... 著者 Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M. 登録日 2012-02-08 公開日 2012-07-11 最終更新日 2018-01-24 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis. J.Med.Chem., 55, 2012
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

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