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PDB: 27 件

1EWM
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THE CYSTEINE PROTEASE CRUZAIN BOUND TO WRR-112
分子名称: CRUZAIN, N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-L-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE
著者Brinen, L.S, Gillmor, S.A, Fletterick, R.J.
登録日2000-04-26
公開日2003-06-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Cruzain bound to WRR-112
To be Published
1EWL
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CRYSTAL STRUCTURE OF CRUZAIN BOUND TO WRR-99
分子名称: CRUZAIN, N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-D-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE
著者Brinen, L.S, Gillmor, S.A, Fletterick, R.J.
登録日2000-04-26
公開日2003-06-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Cruzain bound to WRR-99
To be Published
2O6X
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Crystal Structure of ProCathepsin L1 from Fasciola hepatica
分子名称: Secreted cathepsin L 1
著者Brinen, L.S, Dalton, J.P, Geiger, S, Marion, R, Stack, C.M.
登録日2006-12-08
公開日2007-12-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural and functional relationships in the virulence-associated cathepsin L proteases of the parasitic liver fluke, Fasciola hepatica.
J.Biol.Chem., 283, 2008
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
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
2P7U
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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
1EWO
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THE CYSTEINE PROTEASE CRUZAIN BOUND TO WRR-204
分子名称: CRUZAIN, N-[N'-BENZYLOXYCARBONYL-PHENYLALANINYL]-3-AMINO-5-PHENYL-PENTANE-1-SULFONIC ACID PHENYL ESTER
著者Brinen, L.S, Gillmor, S.A, Fletterick, R.J.
登録日2000-04-26
公開日2003-06-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Cruzain bound to WRR-204
To be Published
1F2A
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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
1F2B
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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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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
1F29
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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
1SLW
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RAT ANIONIC N143H, E151H TRYPSIN COMPLEXED TO A86H ECOTIN; NICKEL-BOUND
分子名称: ACETATE ION, ANIONIC TRYPSIN, CALCIUM ION, ...
著者Brinen, L.S, Fletterick, R.J.
登録日1996-02-07
公開日1996-07-11
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray structures of a designed binding site in trypsin show metal-dependent geometry.
Biochemistry, 35, 1996
1SLX
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RAT ANIONIC N143H, E151H TRYPSIN COMPLEXED TO A86H ECOTIN; ZINC-BOUND
分子名称: ACETATE ION, ANIONIC TRYPSIN, CALCIUM ION, ...
著者Brinen, L.S, Fletterick, R.J.
登録日1996-02-07
公開日1996-07-11
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray structures of a designed binding site in trypsin show metal-dependent geometry.
Biochemistry, 35, 1996
1SLU
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BU of 1slu by Molmil
RAT ANIONIC N143H, E151H TRYPSIN COMPLEXED TO A86H ECOTIN
分子名称: ACETATE ION, ANIONIC TRYPSIN, CALCIUM ION, ...
著者Brinen, L.S, Fletterick, R.J.
登録日1996-02-07
公開日1996-07-11
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray structures of a designed binding site in trypsin show metal-dependent geometry.
Biochemistry, 35, 1996
1SLV
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BU of 1slv by Molmil
RAT ANIONIC N143H, E151H TRYPSIN COMPLEXED TO A86H ECOTIN; COPPER-BOUND
分子名称: ACETATE ION, ANIONIC TRYPSIN, CALCIUM ION, ...
著者Brinen, L.S, Fletterick, R.J.
登録日1996-02-07
公開日1996-07-11
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-ray structures of a designed binding site in trypsin show metal-dependent geometry.
Biochemistry, 35, 1996
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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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
3HHI
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Crystal Structure of Cathepsin B from T. brucei in complex with CA074
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cathepsin B-like cysteine protease, GLYCEROL, ...
著者Wu, P, Kerr, I.D, Brinen, L.S.
登録日2009-05-15
公開日2010-05-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structures of TbCatB and rhodesain, potential chemotherapeutic targets and major cysteine proteases of Trypanosoma brucei
Plos Negl Trop Dis, 4, 2010
2OZ2
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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
3BWK
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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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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
3HD3
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High resolution crystal structure of cruzain bound to the vinyl sulfone inhibitor SMDC-256047
分子名称: (1R,2R)-2-[(4-chlorophenyl)carbonyl]-N-{(1S)-1-[2-(phenylsulfonyl)ethyl]pentyl}cyclohexanecarboxamide, 1,2-ETHANEDIOL, Cruzipain, ...
著者Kerr, I.D, Debnath, M, Brinen, L.S.
登録日2009-05-06
公開日2009-10-06
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Novel non-peptidic vinylsulfones targeting the S2 and S3 subsites of parasite cysteine proteases.
Bioorg.Med.Chem.Lett., 19, 2009
3BPM
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Crystal Structure of Falcipain-3 with Its inhibitor, Leupeptin
分子名称: Cysteine protease falcipain-3, Leupeptin, SULFATE ION
著者kerr, I.D, Lee, J.H, Brinen, L.S.
登録日2007-12-18
公開日2008-12-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of falcipain-2 and falcipain-3 bound to small molecule inhibitors: implications for substrate specificity.
J.Med.Chem., 52, 2009
3BPF
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Crystal Structure of Falcipain-2 with Its inhibitor, E64
分子名称: Cysteine protease falcipain-2, GLYCEROL, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE
著者kerr, I.D, Lee, J.H, Brinen, L.S.
登録日2007-12-18
公開日2008-12-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structures of falcipain-2 and falcipain-3 bound to small molecule inhibitors: implications for substrate specificity.
J.Med.Chem., 52, 2009
2OFJ
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Crystal structure of the E190A mutant of o-succinylbenzoate synthase from Escherichia coli
分子名称: O-succinylbenzoate synthase
著者Nagatani, R.A, Gonzalez, A, Shoichet, B.K, Brinen, L.S, Babbitt, P.C.
登録日2007-01-03
公開日2007-06-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Stability for Function Trade-Offs in the Enolase Superfamily "Catalytic Module".
Biochemistry, 46, 2007
3IUT
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The Crystal Structure of Cruzain in Complex with a Tetrafluorophenoxymethyl Ketone Inhibitor
分子名称: (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
著者Kerr, I.D, Debnath, M, Brinen, L.S.
登録日2009-08-31
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Nonpeptidic tetrafluorophenoxymethyl ketone cruzain inhibitors as promising new leads for chagas disease chemotherapy.
J.Med.Chem., 53, 2010

 

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