9GJ2
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![BU of 9gj2 by Molmil](/molmil-images/mine/9gj2) | Crystal structure of human cathepsin S produced in insect cells in complex with ketoamide 13b | 分子名称: | 1,2-ETHANEDIOL, CITRIC ACID, Cathepsin S, ... | 著者 | Falke, S, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Reinke, P.Y.A, Guenther, S, Turk, D, Meents, A. | 登録日 | 2024-08-20 | 公開日 | 2024-09-04 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Crystal structure of human cathepsin S produced in insect cells in complex with ketoamide 13b To Be Published
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6YYR
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![BU of 6yyr by Molmil](/molmil-images/mine/6yyr) | Structure of Cathepsin S in complex with Compound 20b | 分子名称: | (2~{R})-~{N}-(2-azanylideneethyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethanoylamino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-propanamide, 1,2-ETHANEDIOL, CITRATE ANION, ... | 著者 | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | 登録日 | 2020-05-05 | 公開日 | 2021-05-12 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors. J.Med.Chem., 63, 2020
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3OVX
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![BU of 3ovx by Molmil](/molmil-images/mine/3ovx) | |
6YYO
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![BU of 6yyo by Molmil](/molmil-images/mine/6yyo) | Structure of Cathepsin S in complex with Compound 1 | 分子名称: | 1,2-ETHANEDIOL, 6-(4-methylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine, CITRATE ANION, ... | 著者 | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | 登録日 | 2020-05-05 | 公開日 | 2021-05-12 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors. J.Med.Chem., 63, 2020
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2H7J
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![BU of 2h7j by Molmil](/molmil-images/mine/2h7j) | Crystal Structure of Cathepsin S in complex with a Nonpeptidic Inhibitor. | 分子名称: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 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 | 著者 | Patterson, A.W, Wood, W.J, Hornsby, M, Lesley, S, Spraggon, G, Ellman, J.A. | 登録日 | 2006-06-02 | 公開日 | 2006-10-24 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.5 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
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2HHN
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![BU of 2hhn by Molmil](/molmil-images/mine/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
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8RND
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![BU of 8rnd by Molmil](/molmil-images/mine/8rnd) | Cathepsin S in complex with NNPI-C10 inhibitor | 分子名称: | 1,2-ETHANEDIOL, Cathepsin S, DI(HYDROXYETHYL)ETHER, ... | 著者 | Petruzzella, A, Lau, K, Pojer, F, Oricchio, E. | 登録日 | 2024-01-09 | 公開日 | 2024-06-05 | 最終更新日 | 2024-09-11 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Antibody-peptide conjugates deliver covalent inhibitors blocking oncogenic cathepsins. Nat.Chem.Biol., 20, 2024
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4P6G
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2OP3
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![BU of 2op3 by Molmil](/molmil-images/mine/2op3) | The structure of cathepsin S with a novel 2-arylphenoxyacetaldehyde inhibitor derived by the Substrate Activity Screening (SAS) method | 分子名称: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL, Cathepsin S, ... | 著者 | Spraggon, G, Inagaki, H, Tsuruoka, H, Hornsby, M, Lesley, S.A, Ellman, J.A. | 登録日 | 2007-01-26 | 公開日 | 2007-05-22 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Characterization and optimization of selective, nonpeptidic inhibitors of cathepsin S with an unprecedented binding mode. J.Med.Chem., 50, 2007
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2FRQ
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![BU of 2frq by Molmil](/molmil-images/mine/2frq) | Human Cathepsin S with Inhibitor CRA-26871 | 分子名称: | N-[4-(AMINOMETHYL)-1,1-DIOXIDOTETRAHYDRO-2H-THIOPYRAN-4-YL]-3-(1-METHYLCYCLOPENTYL)-N~2~-[(1E)-N-(PHENYLSULFONYL)ETHANIMIDOYL]-L-ALANINAMIDE, cathepsin S | 著者 | Somoza, J.R. | 登録日 | 2006-01-19 | 公開日 | 2006-07-25 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Human Cathepsin S with Inhibitor CRA-26871 To be Published
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3N3G
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![BU of 3n3g by Molmil](/molmil-images/mine/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
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2FQ9
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![BU of 2fq9 by Molmil](/molmil-images/mine/2fq9) | Cathepsin S with nitrile inhibitor | 分子名称: | N-(1-CYANOCYCLOPROPYL)-3-({[(2S)-5-OXOPYRROLIDIN-2-YL]METHYL}SULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE, cathepsin S | 著者 | Somoza, J.R. | 登録日 | 2006-01-17 | 公開日 | 2006-03-21 | 最終更新日 | 2019-07-24 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Cathepsin S with nitrile inhibitor To be Published
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2FT2
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![BU of 2ft2 by Molmil](/molmil-images/mine/2ft2) | Human Cathepsin S with Inhibitor CRA-29728 | 分子名称: | N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(MORPHOLIN-4-YLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE, cathepsin S | 著者 | Somoza, J.R. | 登録日 | 2006-01-23 | 公開日 | 2006-07-25 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Human Cathepsin S with Inhibitor CRA-29728 To be Published
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8PI3
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![BU of 8pi3 by Molmil](/molmil-images/mine/8pi3) | Cathepsin S Y132D mutant in complex with NNPI-C10 inhibitor | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CADMIUM ION, ... | 著者 | Petruzzella, A, Lau, K, Pojer, F, Oricchio, E. | 登録日 | 2023-06-21 | 公開日 | 2024-06-05 | 最終更新日 | 2024-09-11 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Antibody-peptide conjugates deliver covalent inhibitors blocking oncogenic cathepsins. Nat.Chem.Biol., 20, 2024
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5QC8
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![BU of 5qc8 by Molmil](/molmil-images/mine/5qc8) | Crystal structure of human Cathepsin-S with bound ligand | 分子名称: | Cathepsin S, N-benzyl-1-{3-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine | 著者 | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | 登録日 | 2017-08-04 | 公開日 | 2017-12-20 | 最終更新日 | 2021-11-17 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Crystal structure of human Cathepsin-S with bound ligand To be published
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5QBV
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![BU of 5qbv by Molmil](/molmil-images/mine/5qbv) | Crystal structure of human Cathepsin-S with bound ligand | 分子名称: | Cathepsin S, N-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyridazin-3-yl)benzyl]benzamide | 著者 | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | 登録日 | 2017-08-04 | 公開日 | 2017-12-20 | 最終更新日 | 2021-11-17 | 実験手法 | X-RAY DIFFRACTION (1.796 Å) | 主引用文献 | Diazinones as P2 replacements for pyrazole-based cathepsin S inhibitors Bioorg.Med.Chem.Lett., 20, 2010
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5QCC
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![BU of 5qcc by Molmil](/molmil-images/mine/5qcc) | Crystal structure of human Cathepsin-S with bound ligand | 分子名称: | Cathepsin S, tert-butyl 4-(2-{3-(4-chloro-3-iodophenyl)-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate | 著者 | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | 登録日 | 2017-08-04 | 公開日 | 2017-12-20 | 最終更新日 | 2021-11-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of human Cathepsin-S with bound ligand To be published
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1NQC
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![BU of 1nqc by Molmil](/molmil-images/mine/1nqc) | Crystal structures of Cathepsin S inhibitor complexes | 分子名称: | Cathepsin S, N-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]-N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE | 著者 | Pauly, T.A, Sulea, T, Ammirati, M, Sivaraman, J, Danley, D.E, Griffor, M.C, Kamath, A.V, Wang, I.K, Laird, E.R, Menard, R, Cygler, M, Rath, V.L. | 登録日 | 2003-01-21 | 公開日 | 2003-04-15 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Specificity determinants of human cathepsin s revealed
by crystal structures of complexes. Biochemistry, 42, 2003
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4P6E
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![BU of 4p6e by Molmil](/molmil-images/mine/4p6e) | Crystal Structure of Human Cathepsin S Bound to a Non-covalent Inhibitor | 分子名称: | Cathepsin S, N-[(8R)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide, SULFATE ION | 著者 | Wang, Y, Jadhav, P.K, Deng, G.G. | 登録日 | 2014-03-24 | 公開日 | 2014-10-29 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of Cathepsin S Inhibitor LY3000328 for the Treatment of Abdominal Aortic Aneurysm. Acs Med.Chem.Lett., 5, 2014
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2HH5
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![BU of 2hh5 by Molmil](/molmil-images/mine/2hh5) | Crystal Structure of Cathepsin S in complex with a Zinc mediated non-covalent arylaminoethyl amide | 分子名称: | CHLORIDE ION, Cathepsin S, N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE, ... | 著者 | Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S. | 登録日 | 2006-06-27 | 公開日 | 2006-08-15 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 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
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3N4C
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![BU of 3n4c by Molmil](/molmil-images/mine/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
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5QC0
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![BU of 5qc0 by Molmil](/molmil-images/mine/5qc0) | Crystal structure of human Cathepsin-S with bound ligand | 分子名称: | 2-(dimethylamino)-1-[4-(2-oxo-2-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethyl)piperidin-1-yl]ethan-1-one, Cathepsin S | 著者 | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | 登録日 | 2017-08-04 | 公開日 | 2017-12-20 | 最終更新日 | 2021-11-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of human Cathepsin-S with bound ligand To be published
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1MS6
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![BU of 1ms6 by Molmil](/molmil-images/mine/1ms6) | Dipeptide Nitrile Inhibitor Bound to Cathepsin S. | 分子名称: | Cathepsin S, MORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE | 著者 | Ward, Y.D, Thomson, D.S, Frye, L.L, Cywin, C.L, Morwick, T, Emmanuel, M.J, Zindell, R, McNeil, D, Bekkali, Y, Giradot, M, Hrapchak, M, DeTuri, M, Crane, K, White, D, Pav, S, Wang, Y, Hao, M.H, Grygon, C.A, Labadia, M.E, Freeman, D.M, Davidson, W, Hopkins, J.L, Brown, M.L, Spero, D.M. | 登録日 | 2002-09-19 | 公開日 | 2003-04-22 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Design and synthesis of dipeptide nitriles as reversible and potent Cathepsin S inhibitors J.Med.Chem., 45, 2002
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5QC7
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![BU of 5qc7 by Molmil](/molmil-images/mine/5qc7) | Crystal structure of human Cathepsin-S with bound ligand | 分子名称: | 2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, Cathepsin S, DIMETHYL SULFOXIDE, ... | 著者 | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | 登録日 | 2017-08-04 | 公開日 | 2017-12-20 | 最終更新日 | 2021-11-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of human Cathepsin-S with bound ligand To be published
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2FRA
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![BU of 2fra by Molmil](/molmil-images/mine/2fra) | Human Cathepsin S with CRA-27934, a Nitrile Inhibitor | 分子名称: | N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE, cathepsin S | 著者 | Somoza, J.R. | 登録日 | 2006-01-19 | 公開日 | 2006-07-25 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Human Cathepsin S with CRA-27934, a Nitrile Inhibitor To be Published
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