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1F29
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CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO A VINYL SULFONE DERIVED INHIBITOR (I)
Descriptor:CRUZAIN, 3-[[N-[MORPHOLIN-N-YL]-CARBONYL]-PHENYLALANINYL-AMINO]-5- PHENYL-PENTANE-1-SULFONYLBENZENE
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
1F2A
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CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO A VINYL SULFONE DERIVED INHIBITOR (II)
Descriptor:CRUZAIN, 3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONYLMETHYLBENZENE
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
1F2B
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CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO VINYL SULFONE DERIVED INHIBITOR (III)
Descriptor:CRUZAIN, 3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID 4-NITRO-PHENYL ESTER
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
1F2C
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CRYSTAL STRUCTURE ANALYSIS OF CRYZAIN BOUND TO VINYL SULFONE DERIVED INHIBITOR (IV)
Descriptor:CRUZAIN, 3-[[N-[4-METHYL-PIPERAZINYL]CARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID BENZYLOXY-AMIDE
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
2OP9
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SUBSTRATE SPECIFICITY PROFILING AND IDENTIFICATION OF A NEW CLASS OF INHIBITOR FOR THE MAJOR PROTEASE OF THE SARS CORONAVIRUS
Descriptor:Replicase polyprotein 1ab (pp1ab, ORF1AB) 3C-like proteinase (3CL-PRO, 3CLp), ...
Authors:Craik, C.S., Goetz, D.H.
Deposit date:2007-01-27
Release date:2007-07-17
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Substrate Specificity Profiling and Identification of a New Class of Inhibitor for the Major Protease of the SARS Coronavirus.
Biochemistry, 46, 2007
2OZ2
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CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO VINYL SULFONE DERIVED INHIBITOR (K11777)
Descriptor:Cruzipain, SULFATE ION, NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-L-PHENYLALANINAMIDE
Authors:Rickert, M., Brinen, L.
Deposit date:2007-02-23
Release date:2008-02-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Vinyl sulfones as antiparasitic agents and a structural basis for drug design.
J.Biol.Chem., 284, 2009
2P7U
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THE CRYSTAL STRUCTURE OF RHODESAIN, THE MAJOR CYSTEINE PROTEASE OF T. BRUCEI RHODESIENSE, BOUND TO INHIBITOR K777
Descriptor:Cysteine protease, NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-L-PHENYLALANINAMIDE
Authors:Brinen, L.S., Marion, R.
Deposit date:2007-03-20
Release date:2008-03-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Vinyl sulfones as antiparasitic agents and a structural basis for drug design.
J.Biol.Chem., 284, 2009
2P86
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THE HIGH RESOLUTION CRYSTAL STRUCTURE OF RHODESAIN, THE MAJOR CATHEPSIN L PROTEASE FROM T. BRUCEI RHODESIENSE, BOUND TO INHIBITOR K11002
Descriptor:Cysteine protease, 3-[[N-[MORPHOLIN-N-YL]-CARBONYL]-PHENYLALANINYL-AMINO]-5- PHENYL-PENTANE-1-SULFONYLBENZENE, 1,2-ETHANEDIOL
Authors:Brinen, L.S., Marion, R.
Deposit date:2007-03-21
Release date:2008-04-01
Last modified:2018-10-24
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
3BWK
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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:2011-09-07
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
3LXS
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CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO VINYL SULFONE DERIVED INHIBITOR (WRR483)
Descriptor:Cruzain, (Z)-N-(5-GUANIDINO-1-OXO-1-(5-PHENYL-1-(PHENYLSULFONYL)PENT-1-EN-3-YLAMINO)PENTAN-2-YL)-4-METHYLPIPERAZINE-1-CARBOXAMIDE, 1,2-ETHANEDIOL, ...
Authors:Kerr, I.D., Brinen, L.S.
Deposit date:2010-02-25
Release date:2010-10-20
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:In vitro and in vivo studies of the trypanocidal properties of WRR-483 against Trypanosoma cruzi.
Plos Negl Trop Dis, 4, 2010
1ME3
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HIGH RESOLUTION CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN NON-COVALENTLY BOUND TO A HYDROXYMETHYL KETONE INHIBITOR (II)
Descriptor:Cruzipain, [1-(3-HYDROXY-2-OXO-1-PHENETHYL-PROPYLCARBAMOYL)2-PHENYL-ETHYL]-CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER
Authors:Brinen, L.S., Huang, L., Ellman, J.A.
Deposit date:2002-08-07
Release date:2002-12-18
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal Structures of Reversible Ketone-based Inhibitors of the Cysteine Protease Cruzain
Bioorg.Med.Chem., 11, 2003
1ME4
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HIGH RESOLUTION CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN NON-COVALENTLY BOUND TO A HYDROXYMETHYL KETONE INHIBITOR (I)
Descriptor:CRUZIPAIN, [1-(1-BENZYL-3-HYDROXY-2-OXO-PROPYLCARBAMOYL)-2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER
Authors:Brinen, L.S., Huang, L., Ellman, J.A.
Deposit date:2002-08-07
Release date:2002-12-18
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal Structures of Reversible Ketone-based Inhibitors of the Cysteine Protease Cruzain
Bioorg.Med.Chem., 11, 2003