3OVZ
 
 | | Cathepsin K in complex with a covalent inhibitor with a ketoamide warhead | | Descriptor: | Cathepsin K, N-[(1S)-3-amino-1-ethyl-2,3-dioxopropyl]-2-chloro-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide, SULFATE ION | | Authors: | Fradera, X, van Zeeland, M, Uitdehaag, J.C.M. | | Deposit date: | 2010-09-17 | | Release date: | 2010-12-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Trifluoromethylphenyl as P2 for ketoamide-based cathepsin S inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
|
|
3OVX
 | |
3OIS
 | | Crystal Structure Xylellain, a cysteine protease from Xylella fastidiosa | | Descriptor: | Cysteine protease, URIDINE-5'-DIPHOSPHATE | | Authors: | Leite, N.R, Faro, A.R, Oliva, M.A.V, Thiemann, O.H, Oliva, G. | | Deposit date: | 2010-08-19 | | Release date: | 2011-08-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The crystal structure of the cysteine protease Xylellain from Xylella fastidiosa reveals an intriguing activation mechanism.
Febs Lett., 587, 2013
|
|
3OF9
 | |
3OF8
 | |
3O1G
 | |
3O0U
 | |
3N4C
 | | 6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors | | Descriptor: | (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, ... | | Authors: | Fradera, X, Uitdehaag, J.C.M, van Zeeland, M. | | Deposit date: | 2010-05-21 | | Release date: | 2011-04-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
|
|
3N3G
 | | 4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important | | Descriptor: | (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, ... | | Authors: | Fradera, X, Uitdehaag, J.C.M, van Zeeland, M. | | Deposit date: | 2010-05-20 | | Release date: | 2010-07-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | 4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important.
Bioorg.Med.Chem.Lett., 20, 2010
|
|
3MOR
 | | Crystal structure of Cathepsin B from Trypanosoma Brucei | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Cathepsin B-like cysteine protease, ... | | Authors: | Cupelli, K, Stehle, T. | | Deposit date: | 2010-04-23 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | In vivo protein crystallization opens new routes in structural biology.
Nat.Methods, 9, 2012
|
|
3LXS
 | |
3LFY
 | | CTD of Tarocystatin in complex with papain | | Descriptor: | ASPARAGINE, GLYCINE, Papain, ... | | Authors: | Chu, M.H, Liu, K.L, Yeh, K.W, Cheng, Y.S. | | Deposit date: | 2010-01-19 | | Release date: | 2010-07-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of tarocystatin-papain complex: implications for the inhibition property of group-2 phytocystatins.
Planta, 234, 2011
|
|
3KX1
 | |
3KWZ
 | |
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
|
|
3KW9
 | |
3KSE
 | |
3KKU
 | | Cruzain in complex with a non-covalent ligand | | Descriptor: | 1,2-ETHANEDIOL, Cruzipain, N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide, ... | | Authors: | Ferreira, R.S, Eidam, O, Shoichet, B.K. | | Deposit date: | 2009-11-06 | | Release date: | 2010-07-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors.
J.Med.Chem., 53, 2010
|
|
3KFQ
 | |
3K9M
 | | Cathepsin B in complex with stefin A | | Descriptor: | Cathepsin B, Cystatin-A | | Authors: | Renko, M, Turk, D. | | Deposit date: | 2009-10-16 | | Release date: | 2009-11-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Stefin A displaces the occluding loop of cathepsin B only by as much as required to bind to the active site cleft
Febs J., 277, 2010
|
|
3K24
 | | Crystal structure of mature apo-Cathepsin L C25A mutant in complex with Gln-Leu-Ala peptide | | Descriptor: | 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, ... | | Authors: | 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) | | Deposit date: | 2009-09-29 | | Release date: | 2010-03-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for the recognition and cleavage of histone H3 by cathepsin L.
Nat Commun, 2, 2011
|
|
3IV2
 | | Crystal structure of mature apo-Cathepsin L C25A mutant | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin L1, GLYCEROL, ... | | Authors: | Adams-Cioaba, M.A, Krupa, J.C, Mort, J.S, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J. | | Deposit date: | 2009-08-31 | | Release date: | 2010-03-23 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for the recognition and cleavage of histone H3 by cathepsin L.
Nat Commun, 2, 2011
|
|
3IUT
 | | The Crystal Structure of Cruzain in Complex with a Tetrafluorophenoxymethyl Ketone Inhibitor | | Descriptor: | (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 | | Authors: | Kerr, I.D, Debnath, M, Brinen, L.S. | | Deposit date: | 2009-08-31 | | Release date: | 2010-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Nonpeptidic tetrafluorophenoxymethyl ketone cruzain inhibitors as promising new leads for chagas disease chemotherapy.
J.Med.Chem., 53, 2010
|
|
3IOQ
 | | Crystal structure of the Carica candamarcensis cysteine protease CMS1MS2 in complex with E-64. | | Descriptor: | 1,2-ETHANEDIOL, CMS1MS2, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, ... | | Authors: | Gomes, M.T.R, Teixeira, R.D, Salas, C.E, Nagem, R.A.P. | | Deposit date: | 2009-08-14 | | Release date: | 2010-02-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystal structure of the Carica candamarcensis cysteine protease CMS1MS2 in complex with E-64
To be Published
|
|
3IMA
 | | Complex structure of tarocystatin and papain | | Descriptor: | ACETATE ION, Cysteine proteinase inhibitor, Papain | | Authors: | Chu, M.H, Liu, K.L, Yeh, K.W, Cheng, Y.S. | | Deposit date: | 2009-08-10 | | Release date: | 2010-02-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Crystal structure of tarocystatin-papain complex: implications for the inhibition property of group-2 phytocystatins.
Planta, 234, 2011
|
|
