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) | |
2O6X
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![BU of 2o6x by Molmil](/molmil-images/mine/2o6x) | Crystal Structure of ProCathepsin L1 from Fasciola hepatica | Descriptor: | Secreted cathepsin L 1 | Authors: | Brinen, L.S, Dalton, J.P, Geiger, S, Marion, R, Stack, C.M. | Deposit date: | 2006-12-08 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural and functional relationships in the virulence-associated cathepsin L proteases of the parasitic liver fluke, Fasciola hepatica. J.Biol.Chem., 283, 2008
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2P86
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![BU of 2p86 by Molmil](/molmil-images/mine/2p86) | The high resolution crystal structure of rhodesain, the major cathepsin L protease from T. brucei rhodesiense, bound to inhibitor K11002 | Descriptor: | 1,2-ETHANEDIOL, 3-[[N-[MORPHOLIN-N-YL]-CARBONYL]-PHENYLALANINYL-AMINO]-5- PHENYL-PENTANE-1-SULFONYLBENZENE, Cysteine protease | Authors: | Brinen, L.S, Marion, R. | Deposit date: | 2007-03-21 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | THE high resolution structure of rhodesain, the major cathepsin L protease from trypanosoma brucei rhodesiense, illustrates the basis for differences in inhibition profiles from other papain family cysteine proteases To be Published
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2P7U
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![BU of 2p7u by Molmil](/molmil-images/mine/2p7u) | |
1EWM
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![BU of 1ewm by Molmil](/molmil-images/mine/1ewm) | |
1SLW
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![BU of 1slw by Molmil](/molmil-images/mine/1slw) | |
1SLV
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![BU of 1slv by Molmil](/molmil-images/mine/1slv) | |
1SLU
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![BU of 1slu by Molmil](/molmil-images/mine/1slu) | |
1SLX
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![BU of 1slx by Molmil](/molmil-images/mine/1slx) | |
1EWO
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![BU of 1ewo by Molmil](/molmil-images/mine/1ewo) | |
1F2B
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![BU of 1f2b by Molmil](/molmil-images/mine/1f2b) | CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO VINYL SULFONE DERIVED INHIBITOR (III) | Descriptor: | 3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID 4-NITRO-PHENYL ESTER, CRUZAIN | Authors: | Brinen, L.S, Hansell, E, Roush, W.R, McKerrow, J.H, Fletterick, R.J. | Deposit date: | 2000-05-23 | Release date: | 2000-07-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A target within the target: probing cruzain's P1' site to define structural determinants for the Chagas' disease protease. Structure Fold.Des., 8, 2000
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1F2C
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![BU of 1f2c by Molmil](/molmil-images/mine/1f2c) | CRYSTAL STRUCTURE ANALYSIS OF CRYZAIN BOUND TO VINYL SULFONE DERIVED INHIBITOR (IV) | Descriptor: | 3-[[N-[4-METHYL-PIPERAZINYL]CARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID BENZYLOXY-AMIDE, CRUZAIN | Authors: | Brinen, L.S, Hansell, E, Roush, W.R, McKerrow, J.H, Fletterick, R.J. | Deposit date: | 2000-05-23 | Release date: | 2000-07-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A target within the target: probing cruzain's P1' site to define structural determinants for the Chagas' disease protease. Structure Fold.Des., 8, 2000
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1F2A
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![BU of 1f2a by Molmil](/molmil-images/mine/1f2a) | CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO A VINYL SULFONE DERIVED INHIBITOR (II) | Descriptor: | 3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONYLMETHYLBENZENE, CRUZAIN | Authors: | Brinen, L.S, Hansell, E, Roush, W.R, McKerrow, J.H, Fletterick, R.J. | Deposit date: | 2000-05-23 | Release date: | 2000-07-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A target within the target: probing cruzain's P1' site to define structural determinants for the Chagas' disease protease. Structure Fold.Des., 8, 2000
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1EWL
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![BU of 1ewl by Molmil](/molmil-images/mine/1ewl) | |
1F29
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![BU of 1f29 by Molmil](/molmil-images/mine/1f29) | CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO A VINYL SULFONE DERIVED INHIBITOR (I) | Descriptor: | 3-[[N-[MORPHOLIN-N-YL]-CARBONYL]-PHENYLALANINYL-AMINO]-5- PHENYL-PENTANE-1-SULFONYLBENZENE, CRUZAIN | Authors: | Brinen, L.S, Hansell, E, Roush, W.R, McKerrow, J.H, Fletterick, R.J. | Deposit date: | 2000-05-23 | Release date: | 2000-07-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A target within the target: probing cruzain's P1' site to define structural determinants for the Chagas' disease protease. Structure Fold.Des., 8, 2000
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3HHI
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![BU of 3hhi by Molmil](/molmil-images/mine/3hhi) | Crystal Structure of Cathepsin B from T. brucei in complex with CA074 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cathepsin B-like cysteine protease, GLYCEROL, ... | Authors: | Wu, P, Kerr, I.D, Brinen, L.S. | Deposit date: | 2009-05-15 | Release date: | 2010-05-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structures of TbCatB and rhodesain, potential chemotherapeutic targets and major cysteine proteases of Trypanosoma brucei Plos Negl Trop Dis, 4, 2010
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3HD3
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![BU of 3hd3 by Molmil](/molmil-images/mine/3hd3) | High resolution crystal structure of cruzain bound to the vinyl sulfone inhibitor SMDC-256047 | Descriptor: | (1R,2R)-2-[(4-chlorophenyl)carbonyl]-N-{(1S)-1-[2-(phenylsulfonyl)ethyl]pentyl}cyclohexanecarboxamide, 1,2-ETHANEDIOL, Cruzipain, ... | Authors: | Kerr, I.D, Debnath, M, Brinen, L.S. | Deposit date: | 2009-05-06 | Release date: | 2009-10-06 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Novel non-peptidic vinylsulfones targeting the S2 and S3 subsites of parasite cysteine proteases. Bioorg.Med.Chem.Lett., 19, 2009
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3LXS
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3IUT
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![BU of 3iut by Molmil](/molmil-images/mine/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
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3BWK
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![BU of 3bwk by Molmil](/molmil-images/mine/3bwk) | Crystal Structure of Falcipain-3 with Its inhibitor, K11017 | Descriptor: | Cysteine protease falcipain-3, N~2~-(morpholin-4-ylcarbonyl)-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-leucinamide, SULFATE ION | Authors: | Kerr, I, Lee, J.H, Brinen, L.S. | Deposit date: | 2008-01-09 | Release date: | 2009-01-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Vinyl sulfones as antiparasitic agents and a structural basis for drug design. J.Biol.Chem., 284, 2009
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3BPM
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![BU of 3bpm by Molmil](/molmil-images/mine/3bpm) | Crystal Structure of Falcipain-3 with Its inhibitor, Leupeptin | Descriptor: | Cysteine protease falcipain-3, Leupeptin, SULFATE ION | Authors: | kerr, I.D, Lee, J.H, Brinen, L.S. | Deposit date: | 2007-12-18 | Release date: | 2008-12-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of falcipain-2 and falcipain-3 bound to small molecule inhibitors: implications for substrate specificity. J.Med.Chem., 52, 2009
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3BPF
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![BU of 3bpf by Molmil](/molmil-images/mine/3bpf) | Crystal Structure of Falcipain-2 with Its inhibitor, E64 | Descriptor: | Cysteine protease falcipain-2, GLYCEROL, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE | Authors: | kerr, I.D, Lee, J.H, Brinen, L.S. | Deposit date: | 2007-12-18 | Release date: | 2008-12-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structures of falcipain-2 and falcipain-3 bound to small molecule inhibitors: implications for substrate specificity. J.Med.Chem., 52, 2009
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2OZ2
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![BU of 2oz2 by Molmil](/molmil-images/mine/2oz2) | |
1U9Q
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![BU of 1u9q by Molmil](/molmil-images/mine/1u9q) | Crystal structure of cruzain bound to an alpha-ketoester | Descriptor: | [1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER, cruzipain | Authors: | Lange, M, Weston, S.G, Cheng, H, Culliane, M, Fiorey, M.M, Grisostomi, C, Hardy, L.W, Hartstough, D.S, Pallai, P.V, Tilton, R.F, Baldino, C.M, Brinen, L.S, Engel, J.C, Choe, Y, Price, M.S, Craik, C.S. | Deposit date: | 2004-08-10 | Release date: | 2005-03-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Development of alpha-keto-based inhibitors of cruzain, a cysteine protease implicated in Chagas disease Bioorg.Med.Chem., 13, 2005
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