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 | Descriptor: | 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, ... | Authors: | Spraggon, G, Inagaki, H, Tsuruoka, H, Hornsby, M, Lesley, S.A, Ellman, J.A. | Deposit date: | 2007-01-26 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Characterization and optimization of selective, nonpeptidic inhibitors of cathepsin S with an unprecedented binding mode. J.Med.Chem., 50, 2007
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2OZ2
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![BU of 2oz2 by Molmil](/molmil-images/mine/2oz2) | |
2PRE
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![BU of 2pre by Molmil](/molmil-images/mine/2pre) | Crystal structure of plant cysteine protease Ervatamin-C complexed with irreversible inhibitor E-64 at 2.7 A resolution | Descriptor: | Ervatamin-C, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, SULFATE ION | Authors: | Ghosh, R, Chakrabarti, C, Dattagupta, J.K, Biswas, S. | Deposit date: | 2007-05-04 | Release date: | 2008-01-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 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
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1VSN
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![BU of 1vsn by Molmil](/molmil-images/mine/1vsn) | |
1HUC
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![BU of 1huc by Molmil](/molmil-images/mine/1huc) | |
4BQV
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![BU of 4bqv by Molmil](/molmil-images/mine/4bqv) | MOUSE CATHEPSIN S WITH COVALENT LIGAND | Descriptor: | (2S,4R)-N-(1-cyanocyclopropyl)-1-(1-methylcyclopropanecarbonyl)-4-[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide, CATHEPSIN S | Authors: | Banner, D.W, Benz, J, Gsell, B, Stihle, M, Ruf, A, Haap, W. | Deposit date: | 2013-06-03 | Release date: | 2014-06-18 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Cathepsin S Nitrile Inhibitors To be Published
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4BPV
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![BU of 4bpv by Molmil](/molmil-images/mine/4bpv) | MOUSE CATHEPSIN S WITH COVALENT LIGAND | Descriptor: | (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 | Authors: | Banner, D.W, Benz, J, Gsell, B, Stihle, M, Ruf, A, Haap, W. | Deposit date: | 2013-05-28 | Release date: | 2014-06-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Cathepsin S Nitrile Inhibitors To be Published
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4BS5
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![BU of 4bs5 by Molmil](/molmil-images/mine/4bs5) | MOUSE CATHEPSIN S WITH COVALENT LIGAND | Descriptor: | (2S,4R)-N-[1-(iminomethyl)cyclopropyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-2-carboxamide, CATHEPSIN S | Authors: | Banner, D.W, Benz, J, Gsell, B, Stihle, M, Ruf, A, Haap, W. | Deposit date: | 2013-06-07 | Release date: | 2013-11-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Identification of Potent and Selective Cathepsin S (Cats) Inhibitors Containing Different Central Cyclic Scaffolds. J.Med.Chem., 56, 2013
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4BS6
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![BU of 4bs6 by Molmil](/molmil-images/mine/4bs6) | MOUSE CATHEPSIN S WITH COVALENT LIGAND | Descriptor: | (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 | Authors: | Banner, D.W, Benz, J, Gsell, B, Stihle, M, Ruf, A, Haap, W. | Deposit date: | 2013-06-07 | Release date: | 2014-06-18 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Cathepsin S Nitrile Inhibitors To be Published
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4BSQ
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![BU of 4bsq by Molmil](/molmil-images/mine/4bsq) | MOUSE CATHEPSIN S WITH COVALENT LIGAND | Descriptor: | (1R,2R,4R)-N-(2-azanylideneethyl)-2-morpholin-4-ylcarbonyl-4-(phenylsulfonyl)cyclopentane-1-carboxamide, CATHEPSIN S, SULFATE ION | Authors: | Banner, D.W, Benz, J, Gsell, B, Stihle, M, Ruf, A, Hilpert, H. | Deposit date: | 2013-06-11 | Release date: | 2013-11-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Identification of Potent and Selective Cathepsin S (Cats) Inhibitors Containing Different Central Cyclic Scaffolds. J.Med.Chem., 56, 2013
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1KHQ
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![BU of 1khq by Molmil](/molmil-images/mine/1khq) | ORTHORHOMBIC FORM OF PAPAIN/ZLFG-DAM COVALENT COMPLEX | Descriptor: | Papain, peptidic inhibitor | Authors: | Janowski, R, Kozak, M, Jankowska, E, Grzonka, Z, Jaskolski, M. | Deposit date: | 2001-11-30 | Release date: | 2003-09-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Two polymorphs of a covalent complex between papain and a diazomethylketone inhibitor J.Pept.Res., 64, 2004
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4AXM
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![BU of 4axm by Molmil](/molmil-images/mine/4axm) | TRIAZINE CATHEPSIN INHIBITOR COMPLEX | Descriptor: | 4-[(4-chlorobenzyl)(cyclohexyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide, CATHEPSIN L1, GLYCEROL | Authors: | Ehmke, V, Diederich, F, Banner, D.W, Benz, J. | Deposit date: | 2012-06-13 | Release date: | 2013-05-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 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
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1IWD
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![BU of 1iwd by Molmil](/molmil-images/mine/1iwd) | |
4AXL
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![BU of 4axl by Molmil](/molmil-images/mine/4axl) | HUMAN CATHEPSIN L APO FORM WITH ZN | Descriptor: | ACETATE ION, CATHEPSIN L1, GLYCEROL, ... | Authors: | Banner, D.W, Benz, J. | Deposit date: | 2012-06-13 | Release date: | 2013-05-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | 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
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1ITO
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![BU of 1ito by Molmil](/molmil-images/mine/1ito) | Crystal Structure Analysis of Bovine Spleen Cathepsin B-E64c complex | Descriptor: | Cathepsin B, N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-2-METHYL-BUTANE | Authors: | Yamamoto, A, Tomoo, T, Matsugi, K, Hara, T, In, Y, Murata, M, Kitamura, K, Ishida, T. | Deposit date: | 2002-01-19 | Release date: | 2003-01-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.286 Å) | Cite: | Structural basis for development of cathepsin B-specific noncovalent-type inhibitor: crystal structure of cathepsin B-E64c complex BIOCHIM.BIOPHYS.ACTA, 1597, 2002
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4DMX
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![BU of 4dmx by Molmil](/molmil-images/mine/4dmx) | Cathepsin K inhibitor | Descriptor: | (1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide, Cathepsin K, GLYCEROL | Authors: | 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. | Deposit date: | 2012-02-08 | Release date: | 2012-07-11 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | (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
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4DMY
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![BU of 4dmy by Molmil](/molmil-images/mine/4dmy) | Cathepsin K inhibitor | Descriptor: | (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, ... | Authors: | 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. | Deposit date: | 2012-02-08 | Release date: | 2012-07-11 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | (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
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1ME3
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![BU of 1me3 by Molmil](/molmil-images/mine/1me3) | |
1ME4
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![BU of 1me4 by Molmil](/molmil-images/mine/1me4) | |
1KHP
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![BU of 1khp by Molmil](/molmil-images/mine/1khp) | Monoclinic form of papain/ZLFG-DAM covalent complex | Descriptor: | Papain, peptidic inhibitor | Authors: | Janowski, R, Kozak, M, Jankowska, E, Grzonka, Z, Jaskolski, M. | Deposit date: | 2001-11-30 | Release date: | 2003-09-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Two polymorphs of a covalent complex between papain and a diazomethylketone inhibitor J.Pept.Res., 64, 2004
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1MHW
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![BU of 1mhw by Molmil](/molmil-images/mine/1mhw) | Design of non-covalent inhibitors of human cathepsin L. From the 96-residue proregion to optimized tripeptides | Descriptor: | 4-biphenylacetyl-Cys-(D)Arg-Tyr-N-(2-phenylethyl) amide, Cathepsin L | Authors: | Chowdhury, S, Sivaraman, J, Wang, J, Devanathan, G, Lachance, P, Qi, H, Menard, R, Lefebvre, J, Konishi, Y, Cygler, M, Sulea, T, Purisima, E.O. | Deposit date: | 2002-08-21 | Release date: | 2002-12-11 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design of non-covalent inhibitors of human cathepsin L. From the 96-residue proregion to optimized tripeptides J.Med.Chem., 45, 2002
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1M6D
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![BU of 1m6d by Molmil](/molmil-images/mine/1m6d) | Crystal structure of human cathepsin F | Descriptor: | 4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1-(3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)-2-PHENYLETHYL]-AMIDE, Cathepsin F | Authors: | Somoza, J.R, Palmer, J.T, Ho, J.D. | Deposit date: | 2002-07-15 | Release date: | 2003-07-15 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The crystal structure of human cathepsin F and its implications for the development of novel immunomodulators J.Mol.Biol., 322, 2002
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2YJC
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![BU of 2yjc by Molmil](/molmil-images/mine/2yjc) | CATHEPSIN L WITH A NITRILE INHIBITOR | Descriptor: | (2S,4R)-1-[1-(4-chlorophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide, CATHEPSIN L1 | Authors: | Banner, D.W, Benz, J.M, Haap, W. | Deposit date: | 2011-05-19 | Release date: | 2011-11-23 | Last modified: | 2011-11-30 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Halogen Bonding at the Active Sites of Human Cathepsin L and Mek1 Kinase: Efficient Interactions in Different Environments. Chemmedchem, 6, 2011
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2YJ9
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![BU of 2yj9 by Molmil](/molmil-images/mine/2yj9) | CATHEPSIN L WITH A NITRILE INHIBITOR | Descriptor: | (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]carbonyl-pyrrolidine-2-carboxamide, CATHEPSIN L1, GLYCEROL | Authors: | Banner, D.W, Benz, J.M, Haap, W. | Deposit date: | 2011-05-19 | Release date: | 2011-11-23 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Halogen Bonding at the Active Sites of Human Cathepsin L and Mek1 Kinase: Efficient Interactions in Different Environments. Chemmedchem, 6, 2011
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2YJ2
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![BU of 2yj2 by Molmil](/molmil-images/mine/2yj2) | CATHEPSIN L WITH A NITRILE INHIBITOR | Descriptor: | (2S,4R)-1-[1-(4-BROMOPHENYL)CYCLOPROPYL]CARBONYL-4-(2-CHLOROPHENYL)SULFONYL-N-[1-(IMINOMETHYL)CYCLOPROPYL]PYRROLIDINE-2-CARBOXAMIDE, CATHEPSIN L1, GLYCEROL | Authors: | Banner, D.W, Benz, J.M, Haap, W. | Deposit date: | 2011-05-18 | Release date: | 2011-11-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Halogen Bonding at the Active Sites of Human Cathepsin L and Mek1 Kinase: Efficient Interactions in Different Environments. Chemmedchem, 6, 2011
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