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

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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
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
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
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
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
3BPF	Crystal Structure of Falcipain-2 with Its inhibitor, E64 分子名称: Cysteine protease falcipain-2, GLYCEROL, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE 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 (2.9 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
3BWK	Crystal Structure of Falcipain-3 with Its inhibitor, K11017 分子名称: Cysteine protease falcipain-3, N~2~-(morpholin-4-ylcarbonyl)-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-leucinamide, SULFATE ION 著者 Kerr, I, Lee, J.H, Brinen, L.S. 登録日 2008-01-09 公開日 2009-01-20 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.42 Å) 主引用文献 Vinyl sulfones as antiparasitic agents and a structural basis for drug design. J.Biol.Chem., 284, 2009
3H8B	A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 9) 分子名称: Cathepsin L1, N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide 著者 Tulsidas, S.R, Chowdhury, S.F, Kumar, S, Joseph, L, Purisima, E.O, Sivaraman, J. 登録日 2009-04-29 公開日 2009-10-20 最終更新日 2014-02-05 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 A combined crystallographic and molecular dynamics study of cathepsin L retrobinding inhibitors J.Med.Chem., 52, 2009
3H89	A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 4) 分子名称: Cathepsin L1, N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-tyrosinamide 著者 Tulsidas, S.R, Chowdhury, S.F, Kumar, S, Joseph, L, Purisima, E.O, Sivaraman, J. 登録日 2009-04-29 公開日 2009-10-20 最終更新日 2014-02-05 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 A combined crystallographic and molecular dynamics study of cathepsin L retrobinding inhibitors J.Med.Chem., 52, 2009
3HD3	High resolution crystal structure of cruzain bound to the vinyl sulfone inhibitor SMDC-256047 分子名称: (1R,2R)-2-[(4-chlorophenyl)carbonyl]-N-{(1S)-1-[2-(phenylsulfonyl)ethyl]pentyl}cyclohexanecarboxamide, 1,2-ETHANEDIOL, Cruzipain, ... 著者 Kerr, I.D, Debnath, M, Brinen, L.S. 登録日 2009-05-06 公開日 2009-10-06 最終更新日 2021-10-13 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Novel non-peptidic vinylsulfones targeting the S2 and S3 subsites of parasite cysteine proteases. Bioorg.Med.Chem.Lett., 19, 2009
3HHI	Crystal Structure of Cathepsin B from T. brucei in complex with CA074 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cathepsin B-like cysteine protease, GLYCEROL, ... 著者 Wu, P, Kerr, I.D, Brinen, L.S. 登録日 2009-05-15 公開日 2010-05-26 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal Structures of TbCatB and rhodesain, potential chemotherapeutic targets and major cysteine proteases of Trypanosoma brucei Plos Negl Trop Dis, 4, 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
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
3IV2	Crystal structure of mature apo-Cathepsin L C25A mutant 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin L1, GLYCEROL, ... 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. 登録日 2009-08-31 公開日 2010-03-23 最終更新日 2021-10-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural basis for the recognition and cleavage of histone H3 by cathepsin L. Nat Commun, 2, 2011
3IOQ	Crystal structure of the Carica candamarcensis cysteine protease CMS1MS2 in complex with E-64. 分子名称: 1,2-ETHANEDIOL, CMS1MS2, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, ... 著者 Gomes, M.T.R, Teixeira, R.D, Salas, C.E, Nagem, R.A.P. 登録日 2009-08-14 公開日 2010-02-16 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Crystal structure of the Carica candamarcensis cysteine protease CMS1MS2 in complex with E-64 To be Published
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
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
3H7D	The crystal structure of the cathepsin K Variant M5 in complex with chondroitin-4-sulfate 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 Cherney, M.M, Kienetz, M, Bromme, D, James, M.N.G. 登録日 2009-04-24 公開日 2010-04-28 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.242 Å) 主引用文献 Structure-activity analysis of cathepsin K/chondroitin 4-sulfate interactions. J.Biol.Chem., 286, 2011
3H8C	A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors (compound 14) 分子名称: Cathepsin L1, N-(biphenyl-4-ylacetyl)-S-methyl-L-cysteinyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide 著者 Tulsidas, S.R, Chowdhury, S.F, Kumar, S, Joseph, L, Purisima, E.O, Sivaraman, J. 登録日 2009-04-29 公開日 2009-10-20 最終更新日 2014-11-12 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 A Combined Crystallographic and Molecular Dynamics Study of Cathepsin L Retrobinding Inhibitors J.Med.Chem., 2009

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