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1F2B
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BU of 1f2b by Molmil
CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO VINYL SULFONE DERIVED INHIBITOR (III)
分子名称: 3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID 4-NITRO-PHENYL ESTER, CRUZAIN
著者Brinen, L.S, Hansell, E, Roush, W.R, McKerrow, J.H, Fletterick, R.J.
登録日2000-05-23
公開日2000-07-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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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BU of 1f2c by Molmil
CRYSTAL STRUCTURE ANALYSIS OF CRYZAIN BOUND TO VINYL SULFONE DERIVED INHIBITOR (IV)
分子名称: 3-[[N-[4-METHYL-PIPERAZINYL]CARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID BENZYLOXY-AMIDE, CRUZAIN
著者Brinen, L.S, Hansell, E, Roush, W.R, McKerrow, J.H, Fletterick, R.J.
登録日2000-05-23
公開日2000-07-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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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BU of 1f2a by Molmil
CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO A VINYL SULFONE DERIVED INHIBITOR (II)
分子名称: 3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONYLMETHYLBENZENE, CRUZAIN
著者Brinen, L.S, Hansell, E, Roush, W.R, McKerrow, J.H, Fletterick, R.J.
登録日2000-05-23
公開日2000-07-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A target within the target: probing cruzain's P1' site to define structural determinants for the Chagas' disease protease.
Structure Fold.Des., 8, 2000
1F29
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BU of 1f29 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF CRUZAIN BOUND TO A VINYL SULFONE DERIVED INHIBITOR (I)
分子名称: 3-[[N-[MORPHOLIN-N-YL]-CARBONYL]-PHENYLALANINYL-AMINO]-5- PHENYL-PENTANE-1-SULFONYLBENZENE, CRUZAIN
著者Brinen, L.S, Hansell, E, Roush, W.R, McKerrow, J.H, Fletterick, R.J.
登録日2000-05-23
公開日2000-07-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A target within the target: probing cruzain's P1' site to define structural determinants for the Chagas' disease protease.
Structure Fold.Des., 8, 2000
3BWK
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BU of 3bwk by Molmil
Crystal Structure of Falcipain-3 with Its inhibitor, K11017
分子名称: Cysteine protease falcipain-3, N~2~-(morpholin-4-ylcarbonyl)-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-leucinamide, SULFATE ION
著者Kerr, I, Lee, J.H, Brinen, L.S.
登録日2008-01-09
公開日2009-01-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Vinyl sulfones as antiparasitic agents and a structural basis for drug design.
J.Biol.Chem., 284, 2009
3LXS
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BU of 3lxs by Molmil
Crystal structure analysis of cruzain bound to vinyl sulfone derived inhibitor (WRR483)
分子名称: (Z)-N-(5-GUANIDINO-1-OXO-1-(5-PHENYL-1-(PHENYLSULFONYL)PENT-1-EN-3-YLAMINO)PENTAN-2-YL)-4-METHYLPIPERAZINE-1-CARBOXAMID E, 1,2-ETHANEDIOL, Cruzain, ...
著者Kerr, I.D, Brinen, L.S.
登録日2010-02-25
公開日2010-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献In vitro and in vivo studies of the trypanocidal properties of WRR-483 against Trypanosoma cruzi.
Plos Negl Trop Dis, 4, 2010
2P86
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BU of 2p86 by Molmil
The high resolution crystal structure of rhodesain, the major cathepsin L protease from T. brucei rhodesiense, bound to inhibitor K11002
分子名称: 1,2-ETHANEDIOL, 3-[[N-[MORPHOLIN-N-YL]-CARBONYL]-PHENYLALANINYL-AMINO]-5- PHENYL-PENTANE-1-SULFONYLBENZENE, Cysteine protease
著者Brinen, L.S, Marion, R.
登録日2007-03-21
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献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
2OP9
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Substrate Specificity Profiling and Identification of a New Class of Inhibitor for the Major Protease of the SARS Coronavirus
分子名称: NALPHA-[(BENZYLOXY)CARBONYL]-N-[(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]-L-PHENYLALANINAMIDE, Replicase polyprotein 1ab (pp1ab, ORF1AB) 3C-like proteinase (3CL-PRO, ...
著者Craik, C.S, Goetz, D.H.
登録日2007-01-27
公開日2007-07-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Substrate Specificity Profiling and Identification of a New Class of Inhibitor for the Major Protease of the SARS Coronavirus.
Biochemistry, 46, 2007
2P7U
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BU of 2p7u by Molmil
The crystal structure of rhodesain, the major cysteine protease of T. brucei rhodesiense, bound to inhibitor K777
分子名称: Cysteine protease, NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-L-PHENYLALANINAMIDE
著者Brinen, L.S, Marion, R.
登録日2007-03-20
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Vinyl sulfones as antiparasitic agents and a structural basis for drug design.
J.Biol.Chem., 284, 2009
2OZ2
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BU of 2oz2 by Molmil
Crystal structure analysis of cruzain bound to vinyl sulfone derived inhibitor (K11777)
分子名称: Cruzipain, NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-L-PHENYLALANINAMIDE, SULFATE ION
著者Rickert, M, Brinen, L.
登録日2007-02-23
公開日2008-02-26
最終更新日2019-09-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Vinyl sulfones as antiparasitic agents and a structural basis for drug design.
J.Biol.Chem., 284, 2009
1ME3
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BU of 1me3 by Molmil
High Resolution Crystal Structure Analysis Of Cruzain non-covalently Bound To A Hydroxymethyl Ketone Inhibitor (II)
分子名称: Cruzipain, [1-(3-HYDROXY-2-OXO-1-PHENETHYL-PROPYLCARBAMOYL)2-PHENYL-ETHYL]-CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER
著者Brinen, L.S, Huang, L, Ellman, J.A.
登録日2002-08-07
公開日2002-12-18
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal Structures of Reversible Ketone-based Inhibitors of the Cysteine Protease Cruzain
Bioorg.Med.Chem., 11, 2003
1ME4
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BU of 1me4 by Molmil
High Resolution Crystal Structure Analysis Of Cruzain non-covalently Bound To A Hydroxymethyl Ketone Inhibitor (I)
分子名称: CRUZIPAIN, [1-(1-BENZYL-3-HYDROXY-2-OXO-PROPYLCARBAMOYL)-2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER
著者Brinen, L.S, Huang, L, Ellman, J.A.
登録日2002-08-07
公開日2002-12-18
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal Structures of Reversible Ketone-based Inhibitors of the Cysteine Protease Cruzain
Bioorg.Med.Chem., 11, 2003

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