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

---

1AU2	CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PROPANONE INHIBITOR 分子名称: 1-[[(4-PHENOXYPHENYL)SULFONYL]AMINO]-3-[[N/N-(4-PYRIDINYLCARBONYL)-L-LEUCYL]AMINO]-2-PROPANOL, CATHEPSIN K 著者 Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S. 登録日 1997-09-10 公開日 1998-10-14 最終更新日 2023-08-02 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structure and Design of Potent and Selective Cathepsin K Inhibitors J.Am.Chem.Soc., 119, 1997
1BGO	CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PEPTIDOMIMETIC INHIBITOR 分子名称: 1-[2-(3-BIPHENYL)-4-METHYLVALERYL)]AMINO-3-(2-PYRIDYLSULFONYL)AMINO-2-PROPANONE, CATHEPSIN K 著者 Desjarlais, R.L, Yamashita, D.S, Oh, H.-J, Bondinell, W.E, Uzinskas, I.N, Erhard, K.F, Allen, A.C, Haltiwanger, R.C, Zhao, B, Smith, W.W, Abdel-Meguid, S.S, D'Alessio, K, Janson, C.A, Mcqueney, M.S, Tomaszek, T.A, Levy, M.A, Veber, D.F. 登録日 1998-05-29 公開日 1999-06-08 最終更新日 2023-08-02 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Use of X-Ray Co-Crystal Structures and Molecular Modeling to Design Potent and Selective Non-Peptide Inhibitors of Cathepsin K J.Am.Chem.Soc., 120, 1998
8AHV	Crystal structure of human cathepsin L in complex with calpain inhibitor XII 分子名称: (phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S},3~{S})-2-oxidanyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)hexan-3-yl]amino]pentan-2-yl]carbamate, 1,2-ETHANEDIOL, Cathepsin L, ... 著者 Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. 登録日 2022-07-22 公開日 2023-08-02 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
1AYV	CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT THIAZOLHYDRAZIDE INHIBITOR 分子名称: CATHEPSIN K, N-[2-[1-(N-BENZYLOXYCARBONYLAMINO)-3-METHYLBUTYL]THIAZOL-4-YLCARBONYL]-N'-(BENZYLOXYCARBONYL-L-LEUCINYL)HYDRAZIDE 著者 Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S. 登録日 1997-11-10 公開日 1998-11-25 最終更新日 2023-08-02 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Design of potent and selective human cathepsin K inhibitors that span the active site. Proc.Natl.Acad.Sci.USA, 94, 1997
1AU3	CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PYRROLIDINONE INHIBITOR 分子名称: 1-[N[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL-4-[[N/N-[(PHENYLMETHOXY)CARBONYL]-/NL-LEUCYL]AMINO]-3-PYRROLIDINONE/N, CATHEPSIN K 著者 Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S. 登録日 1997-09-10 公開日 1998-10-14 最終更新日 2023-08-02 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Conformationally constrained 1,3-diamino ketones: a series of potent inhibitors of the cysteine protease cathepsin K. J.Med.Chem., 41, 1998
1AYU	CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT SYMMETRIC BISCARBOHYDRAZIDE INHIBITOR 分子名称: 1,5-BIS(N-BENZYLOXYCARBONYL-L-LEUCINYL)CARBOHYDRAZIDE, CATHEPSIN K 著者 Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S. 登録日 1997-11-10 公開日 1998-11-25 最終更新日 2023-08-02 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Design of potent and selective human cathepsin K inhibitors that span the active site. Proc.Natl.Acad.Sci.USA, 94, 1997
1AU4	CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PYRROLIDINONE INHIBITOR 分子名称: 4-[[N-[(PHENYLMETHOXY)CARBONYL]-/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-(PYRIDINYLMETHOXY)CARBONYL]AMINO]-4-METHYLPENT/NYL]-3-PYRROLIDINONE/N, CATHEPSIN K 著者 Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S. 登録日 1997-09-10 公開日 1998-10-14 最終更新日 2023-08-02 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Conformationally constrained 1,3-diamino ketones: a series of potent inhibitors of the cysteine protease cathepsin K. J.Med.Chem., 41, 1998
1BQI	USE OF PAPAIN AS A MODEL FOR THE STRUCTURE-BASED DESIGN OF CATHEPSIN K INHIBITORS. CRYSTAL STRUCTURES OF TWO PAPAIN INHIBITOR COMPLEXES DEMONSTRATE BINDING TO S'-SUBSITES. 分子名称: CARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONE, PAPAIN 著者 Lalonde, J.M, Zhao, B, Smith, W.W, Janson, C.A, Desjarlais, R.L, Tomaszek, T.A, Carr, T.J, Thompson, S.K, Yamashita, D.S, Veber, D.F, Abdel-Mequid, S.S. 登録日 1998-08-16 公開日 1999-08-16 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Use of papain as a model for the structure-based design of cathepsin K inhibitors: crystal structures of two papain-inhibitor complexes demonstrate binding to S'-subsites. J.Med.Chem., 41, 1998
1BP4	USE OF PAPAIN AS A MODEL FOR THE STRUCTURE-BASED DESIGN OF CATHEPSIN K INHIBITORS. CRYSTAL STRUCTURES OF TWO PAPAIN INHIBITOR COMPLEXES DEMONSTRATE BINDING TO S'-SUBSITES. 分子名称: N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide, PAPAIN 著者 Lalonde, J.M, Zhao, B, Smith, W.W, Janson, C.A, Desjarlais, R.L, Tomaszek, T.A, Carr, T.J, Thompson, S.K, Yamashita, D.S, Veber, D.F, Abdel-Mequid, S.S. 登録日 1998-08-12 公開日 1999-08-12 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Use of papain as a model for the structure-based design of cathepsin K inhibitors: crystal structures of two papain-inhibitor complexes demonstrate binding to S'-subsites. J.Med.Chem., 41, 1998
8B4F	Crystal structure of human cathepsin L forming a thiohemiacetal with N-Boc-2-aminoacetaldehyde 分子名称: 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... 著者 Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. 登録日 2022-09-20 公開日 2023-09-27 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
8B4T	Human cathepsin B in complex with the carbamate inhibitor 7 分子名称: (2S)-2-[[(2S)-2-[(4-chloranylphenoxy)carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid, Cathepsin B 著者 Rubesova, P, Guetschow, M, Mares, M. 登録日 2022-09-21 公開日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Human cathepsin B in complex with the carbamate inhibitor 7 To Be Published
8B5F	Human cathepsin B in complex with the carbamate inhibitor 31 分子名称: (2S)-2-[[(2S)-2-[[3-chloranyl-4-[[3-phenyl-2-(phenylmethyl)propanoyl]amino]phenoxy]carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid, 1,2-ETHANEDIOL, Cathepsin B 著者 Rubesova, P, Guetschow, M, Mares, M. 登録日 2022-09-22 公開日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Human cathepsin B in complex with the carbamate inhibitor 31 To Be Published
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
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
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
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
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
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
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
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
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

<234567891011121314151617>