3I06
| Crystal structure of cruzain covalently bound to a purine nitrile | Descriptor: | 6-[(3,5-difluorophenyl)amino]-9-ethyl-9H-purine-2-carbonitrile, Cruzipain | Authors: | Ferreira, R.S, Shoichet, B.K, McKerrow, J.H. | Deposit date: | 2009-06-24 | Release date: | 2009-12-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Identification and optimization of inhibitors of trypanosomal cysteine proteases: cruzain, rhodesain, and TbCatB. J.Med.Chem., 53, 2010
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3KWB
| Structure of CatK covalently bound to a dioxo-triazine inhibitor | Descriptor: | 3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile, Cathepsin K | Authors: | Uitdehaag, J.C.M, van Zeeland, M. | Deposit date: | 2009-12-01 | Release date: | 2010-04-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Dioxo-triazines as a novel series of cathepsin K inhibitors Bioorg.Med.Chem.Lett., 20, 2010
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2DC6
| X-ray crystal structure analysis of bovine spleen cathepsin B-CA073 complex | Descriptor: | BENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE, GLYCEROL, PHOSPHATE ION, ... | Authors: | Watanabe, D. | Deposit date: | 2005-12-28 | Release date: | 2006-01-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Quantitative estimation of each active subsite of cathepsin B for the inhibitory activity, based on the inhibitory activitybinding mode relationship of a series of epoxysuccinyl inhibitors by X-ray crystal structure analyses of the complexes To be Published
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2DC7
| X-ray crystal structure analysis of bovine spleen cathepsin B-CA042 complex | Descriptor: | CATHEPSIN B, GLYCEROL, N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE, ... | Authors: | Watanabe, D. | Deposit date: | 2005-12-31 | Release date: | 2006-01-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Quantitative estimation of each active subsite of cathepsin B for the inhibitory activity, based on the inhibitory activitybinding mode relationship of a series of epoxysuccinyl inhibitors by X-ray crystal structure analyses of the complexes To be Published
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2DCC
| X-ray crystal structure analysis of bovine spleen cathepsin B-CA077 complex | Descriptor: | BENZYL N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE, CATHEPSIN B, GLYCEROL, ... | Authors: | Watanabe, D. | Deposit date: | 2006-01-01 | Release date: | 2006-01-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Quantitative estimation of each active subsite of cathepsin B for the inhibitory activity, based on the inhibitory activitybinding mode relationship of a series of epoxysuccinyl inhibitors by X-ray crystal structure analyses of the complexes To be Published
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2DCD
| X-ray crystal structure analysis of bovine spleen cathepsin B-CA078 complex | Descriptor: | CATHEPSIN B, GLYCEROL, N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINE, ... | Authors: | Watanabe, D. | Deposit date: | 2006-01-01 | Release date: | 2006-01-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Quantitative estimation of each active subsite of cathepsin B for the inhibitory activity, based on the inhibitory activitybinding mode relationship of a series of epoxysuccinyl inhibitors by X-ray crystal structure analyses of the complexes To be Published
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2DCB
| X-ray crystal structure analysis of bovine spleen cathepsin B-CA076 complex | Descriptor: | CATHEPSIN B, GLYCEROL, N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE, ... | Authors: | Watanabe, D. | Deposit date: | 2006-01-01 | Release date: | 2006-01-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Quantitative estimation of each active subsite of cathepsin B for the inhibitory activity, based on the inhibitory activitybinding mode relationship of a series of epoxysuccinyl inhibitors by X-ray crystal structure analyses of the complexes To be Published
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2DCA
| X-ray crystal structure analysis of bovine spleen cathepsin B-CA075 complex | Descriptor: | CATHEPSIN B, GLYCEROL, N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE, ... | Authors: | Watanabe, D. | Deposit date: | 2006-01-01 | Release date: | 2006-01-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Quantitative estimation of each active subsite of cathepsin B for the inhibitory activity, based on the inhibitory activitybinding mode relationship of a series of epoxysuccinyl inhibitors by X-ray crystal structure analyses of the complexes To be Published
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2DC9
| X-ray crystal structure analysis of bovine spleen cathepsin B-CA074Me complex | Descriptor: | CATHEPSIN B, GLYCEROL, METHYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE, ... | Authors: | Watanabe, D. | Deposit date: | 2005-12-31 | Release date: | 2006-01-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Quantitative estimation of each active subsite of cathepsin B for the inhibitory activity, based on the inhibitory activitybinding mode relationship of a series of epoxysuccinyl inhibitors by X-ray crystal structure analyses of the complexes To be Published
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2DC8
| X-ray crystal structure analysis of bovine spleen cathepsin B-CA059 complex | Descriptor: | CATHEPSIN B, GLYCEROL, N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCINE, ... | Authors: | Watanabe, D. | Deposit date: | 2005-12-31 | Release date: | 2006-01-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Quantitative estimation of each active subsite of cathepsin B for the inhibitory activity, based on the inhibitory activitybinding mode relationship of a series of epoxysuccinyl inhibitors by X-ray crystal structure analyses of the complexes To be Published
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2FYE
| Mutant Human Cathepsin S with irreversible inhibitor CRA-14013 | Descriptor: | N-[(1R)-1-[({[(5S)-3,5-DIMETHYL-2,5-DIHYDROISOXAZOL-4-YL]METHYL}SULFONYL)METHYL]-2-OXO-2-({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)ETHYL]MORPHOLINE-4-CARBOXAMIDE, cathepsin S preproprotein | Authors: | Somoza, J.R. | Deposit date: | 2006-02-07 | Release date: | 2006-08-08 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mutant Human Cathepsin S with irreversible inhibitor CRA-14013 To be Published
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2FQ9
| Cathepsin S with nitrile inhibitor | Descriptor: | 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 | Authors: | Somoza, J.R. | Deposit date: | 2006-01-17 | Release date: | 2006-03-21 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Cathepsin S with nitrile inhibitor To be Published
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2FRA
| Human Cathepsin S with CRA-27934, a Nitrile Inhibitor | Descriptor: | N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE, cathepsin S | Authors: | Somoza, J.R. | Deposit date: | 2006-01-19 | Release date: | 2006-07-25 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Human Cathepsin S with CRA-27934, a Nitrile Inhibitor To be Published
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2FT2
| Human Cathepsin S with Inhibitor CRA-29728 | Descriptor: | N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(MORPHOLIN-4-YLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE, cathepsin S | Authors: | Somoza, J.R. | Deposit date: | 2006-01-23 | Release date: | 2006-07-25 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Human Cathepsin S with Inhibitor CRA-29728 To be Published
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2FO5
| Crystal structure of recombinant barley cysteine endoprotease B isoform 2 (EP-B2) in complex with leupeptin | Descriptor: | ACE-LEU-LEU-argininal (leupeptin), Cysteine proteinase EP-B 2, SULFATE ION | Authors: | Bethune, M.T, Strop, P, Brunger, A.T, Khosla, C. | Deposit date: | 2006-01-12 | Release date: | 2006-07-18 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Heterologous Expression, Purification, Refolding, and Structural-Functional Characterization of EP-B2, a Self-Activating Barley Cysteine Endoprotease. Chem.Biol., 13, 2006
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2FUD
| Human Cathepsin S with Inhibitor CRA-27566 | Descriptor: | N-{(1R)-2-[(4-CYANO-1,1-DIOXIDOTETRAHYDRO-2H-THIOPYRAN-4-YL)AMINO]-2-OXO-1-[(TRIMETHYLSILYL)METHYL]ETHYL}MORPHOLINE-4-CARBOXAMIDE, cathepsin S | Authors: | Somoza, J.R. | Deposit date: | 2006-01-26 | Release date: | 2006-08-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Human Cathepsin S with Inhibitor CRA-27566 To be Published
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2FTD
| Crystal structure of Cathepsin K complexed with 7-Methyl-Substituted Azepan-3-one compound | Descriptor: | Cathepsin K, N-[(1S)-1-({[(3S,4S,7R)-3-HYDROXY-7-METHYL-1-(PYRIDIN-2-YLSULFONYL)-2,3,4,7-TETRAHYDRO-1H-AZEPIN-4-YL]AMINO}CARBONYL)-3-METHYLBUTYL]-1-BENZOFURAN-2-CARBOXAMIDE | Authors: | Yamashita, D.S, Baoguang, Z. | Deposit date: | 2006-01-24 | Release date: | 2007-01-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors. J.Med.Chem., 49, 2006
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2FRQ
| Human Cathepsin S with Inhibitor CRA-26871 | Descriptor: | N-[4-(AMINOMETHYL)-1,1-DIOXIDOTETRAHYDRO-2H-THIOPYRAN-4-YL]-3-(1-METHYLCYCLOPENTYL)-N~2~-[(1E)-N-(PHENYLSULFONYL)ETHANIMIDOYL]-L-ALANINAMIDE, cathepsin S | Authors: | Somoza, J.R. | Deposit date: | 2006-01-19 | Release date: | 2006-07-25 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Human Cathepsin S with Inhibitor CRA-26871 To be Published
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2F1G
| Cathepsin S in complex with non-covalent 2-(Benzoxazol-2-ylamino)-acetamide | Descriptor: | Cathepsin S, GLYCEROL, N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE | Authors: | Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S, Kulathila, R, Clark, K. | Deposit date: | 2005-11-14 | Release date: | 2006-04-04 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Synthesis and evaluation of arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 3: Heterocyclic P3. Bioorg.Med.Chem.Lett., 16, 2006
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2GHU
| Crystal structure of falcipain-2 from Plasmodium falciparum | Descriptor: | falcipain 2 | Authors: | Hogg, T, Nagarajan, K, Schmidt, C.L, Hilgenfeld, R. | Deposit date: | 2006-03-27 | Release date: | 2006-06-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural and Functional Characterization of Falcipain-2, a Hemoglobinase from the Malarial Parasite Plasmodium falciparum. J.Biol.Chem., 281, 2006
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2G6D
| Human cathepsin S mutant with vinyl sulfone inhibitor CRA-14009 | Descriptor: | N-[(1S)-1-[({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)CARBONYL]-3-(PHENYLSULFONYL)PROPYL]MORPHOLINE-4-CARBOXAMIDE, cathepsin S | Authors: | Somoza, J.R. | Deposit date: | 2006-02-24 | Release date: | 2006-04-04 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Human cathepsin S mutant with vinyl sulfone inhibitor CRA-14009 To be Published
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2F7D
| A mutant rabbit cathepsin K with a nitrile inhibitor | Descriptor: | (1R,2R)-N-(2-AMINOETHYL)-2-{[(4-METHOXYPHENYL)SULFONYL]METHYL}CYCLOHEXANECARBOXAMIDE, Cathepsin K | Authors: | Somoza, J.R. | Deposit date: | 2005-11-30 | Release date: | 2006-03-07 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Beta-substituted cyclohexanecarboxamide: a nonpeptidic framework for the design of potent inhibitors of cathepsin K. J.Med.Chem., 49, 2006
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2G7Y
| Human Cathepsin S with inhibitor CRA-16981 | Descriptor: | (1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-2-OXOETHYL MORPHOLINE-4-CARBOXYLATE, Cathepsin S | Authors: | Somoza, J.R. | Deposit date: | 2006-03-01 | Release date: | 2006-09-05 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Human Cathepsin S with inhibitor CRA-16981 To be Published
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2H7J
| Crystal Structure of Cathepsin S in complex with a Nonpeptidic Inhibitor. | Descriptor: | 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 | Authors: | Patterson, A.W, Wood, W.J, Hornsby, M, Lesley, S, Spraggon, G, Ellman, J.A. | Deposit date: | 2006-06-02 | Release date: | 2006-10-24 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of selective, nonpeptidic nitrile inhibitors of cathepsin s using the substrate activity screening method. J.Med.Chem., 49, 2006
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5PAD
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