Author results

1BWC
  • Download 1bwc
  • View 1bwc
Molmil generated image of 1bwc
STRUCTURE OF HUMAN GLUTATHIONE REDUCTASE COMPLEXED WITH AJOENE INHIBITOR AND SUBVERSIVE SUBSTRATE
Descriptor:PROTEIN (GLUTATHIONE REDUCTASE), CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Gallwitz, H., Bonse, S., Martinez-Cruz, A., Schlichting, I., Schumacher, K., Krauth-Siegel, R.L.
Deposit date:1998-09-23
Release date:1999-07-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ajoene is an inhibitor and subversive substrate of human glutathione reductase and Trypanosoma cruzi trypanothione reductase: crystallographic, kinetic, and spectroscopic studies.
J.Med.Chem., 42, 1999
1GRT
  • Download 1grt
  • View 1grt
Molmil generated image of 1grt
HUMAN GLUTATHIONE REDUCTASE A34E/R37W MUTANT
Descriptor:GLUTATHIONE REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Stoll, V.S., Simpson, S.J., Krauth-Siegel, R.L., Walsh, C.T., Pai, E.F.
Deposit date:1996-12-17
Release date:1997-06-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
1NDA
  • Download 1nda
  • View 1nda
Molmil generated image of 1nda
THE STRUCTURE OF TRYPANOSOMA CRUZI TRYPANOTHIONE REDUCTASE IN THE OXIDIZED AND NADPH REDUCED STATE
Descriptor:TRYPANOTHIONE OXIDOREDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Lantwin, C.B., Kabsch, W., Pai, E.F., Schlichting, I., Krauth-Siegel, R.L.
Deposit date:1993-07-02
Release date:1994-09-30
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:The structure of Trypanosoma cruzi trypanothione reductase in the oxidized and NADPH reduced state.
Proteins, 18, 1994
2GRT
  • Download 2grt
  • View 2grt
Molmil generated image of 2grt
HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, OXIDIZED GLUTATHIONE COMPLEX
Descriptor:GLUTATHIONE REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, OXIDIZED GLUTATHIONE DISULFIDE
Authors:Stoll, V.S., Simpson, S.J., Krauth-Siegel, R.L., Walsh, C.T., Pai, E.F.
Deposit date:1997-02-12
Release date:1997-08-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
3GRT
  • Download 3grt
  • View 3grt
Molmil generated image of 3grt
HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, OXIDIZED TRYPANOTHIONE COMPLEX
Descriptor:GLUTATHIONE REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, 2-AMINO-4-[4-(4-AMINO-4-CARBOXY-BUTYRYLAMINO)-5,8,19,22-TETRAOXO-1,2-DITHIA-6,9,13,18,21-PENTAAZA-CYCLOTETRACOS-23-YLCARBAMOYL]-BUTYRIC ACID
Authors:Stoll, V.S., Simpson, S.J., Krauth-Siegel, R.L., Walsh, C.T., Pai, E.F.
Deposit date:1997-02-12
Release date:1997-08-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
4GRT
  • Download 4grt
  • View 4grt
Molmil generated image of 4grt
HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, MIXED DISULFIDE BETWEEN TRYPANOTHIONE AND THE ENZYME
Descriptor:GLUTATHIONE REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE
Authors:Stoll, V.S., Simpson, S.J., Krauth-Siegel, R.L., Walsh, C.T., Pai, E.F.
Deposit date:1997-02-12
Release date:1997-08-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
5GRT
  • Download 5grt
  • View 5grt
Molmil generated image of 5grt
HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, GLUTATHIONYLSPERMIDINE COMPLEX
Descriptor:GLUTATHIONE REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONYLSPERMIDINE DISULFIDE
Authors:Stoll, V.S., Simpson, S.J., Krauth-Siegel, R.L., Walsh, C.T., Pai, E.F.
Deposit date:1997-02-12
Release date:1997-08-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
6BTL
  • Download 6btl
  • View 6btl
Molmil generated image of 6btl
CRYSTAL STRUCTURE OF TRYPANOTHIONE REDUCTASE FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH INHIBITOR RD117 1-[2-(PIPERAZIN-1-YL)ETHYL]-5-{5-[1-(PYRROLIDIN-1-YL)CYCLOHEXYL]-1,3-THIAZOL-2-YL}-1H-INDOLE
Descriptor:Trypanothione reductase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
Authors:Bryson, S., De Gasparo, R., Krauth-Siegel, R.L., Diederich, F., Pai, E.F.
Deposit date:2017-12-06
Release date:2018-06-06
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.797 Å)
Cite:Biological Evaluation and X-ray Co-crystal Structures of Cyclohexylpyrrolidine Ligands for Trypanothione Reductase, an Enzyme from the Redox Metabolism of Trypanosoma.
ChemMedChem, 13, 2018
6BU7
  • Download 6bu7
  • View 6bu7
Molmil generated image of 6bu7
CRYSTAL STRUCTURE OF TRYPANOTHIONE REDUCTASE FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH INHIBITOR RD130 1-[2-(PIPERIDIN-4-YL)ETHYL]-5-{5-[1-(PYRROLIDIN-1-YL)CYCLOHEXYL]-1,3-THIAZOL-2-YL}-1H-INDOLE
Descriptor:Trypanothione reductase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
Authors:Bryson, S., De Gasparo, R., Krauth-Siegel, R.L., Diederich, F., Pai, E.F.
Deposit date:2017-12-08
Release date:2018-06-06
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Biological Evaluation and X-ray Co-crystal Structures of Cyclohexylpyrrolidine Ligands for Trypanothione Reductase, an Enzyme from the Redox Metabolism of Trypanosoma.
ChemMedChem, 13, 2018
1R26
  • Download 1r26
  • View 1r26
Molmil generated image of 1r26
CRYSTAL STRUCTURE OF THIOREDOXIN FROM TRYPANOSOMA BRUCEI BRUCEI
Descriptor:Thioredoxin
Authors:Friemann, R., Schmidt, H., Ramaswamy, S., Forstner, M., Krauth-Siegel, R.L., Eklund, H.
Deposit date:2003-09-26
Release date:2003-12-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of thioredoxin from Trypanosoma brucei brucei
FEBS Lett., 554, 2003
2QAE
  • Download 2qae
  • View 2qae
Molmil generated image of 2qae
CRYSTAL STRUCTURE ANALYSIS OF TRYPANOSOMA CRUZI LIPOAMIDE DEHYDROGENASE
Descriptor:Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Werner, C., Krauth-Siegel, R.L., Stubbs, M.T., Klebe, G.
Deposit date:2007-06-15
Release date:2008-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of lipoamide dehydrogenase from Trypanosoma cruzi: A Putative target for the design of new drugs against Chagas disease
To be Published
4NEV
  • Download 4nev
  • View 4nev
Molmil generated image of 4nev
CRYSTAL STRUCTURE OF TRYPANOTHIONE REDUCTASE FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH INHIBITOR EP127 (5-{5-[1-(PYRROLIDIN-1-YL)CYCLOHEXYL]-1,3-THIAZOL-2-YL}-1H-INDOLE)
Descriptor:Trypanothione reductase, FLAVIN-ADENINE DINUCLEOTIDE, 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, ...
Authors:Persch, E., Bryson, S., Pai, E.F., Krauth-Siegel, R.L., Diederich, F.
Deposit date:2013-10-30
Release date:2014-05-14
Last modified:2014-08-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Binding to large enzyme pockets: small-molecule inhibitors of trypanothione reductase.
Chemmedchem, 9, 2014
4NEW
  • Download 4new
  • View 4new
Molmil generated image of 4new
CRYSTAL STRUCTURE OF TRYPANOTHIONE REDUCTASE FROM TRYPANOSOMA CRUZI IN COMPLEX WITH INHIBITOR EP127 (5-{5-[1-(PYRROLIDIN-1-YL)CYCLOHEXYL]-1,3-THIAZOL-2-YL}-1H-INDOLE)
Descriptor:Trypanothione reductase, putative, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Persch, E., Bryson, S., Pai, E.F., Krauth-Siegel, R.L., Diederich, F.
Deposit date:2013-10-30
Release date:2014-05-14
Last modified:2014-08-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding to large enzyme pockets: small-molecule inhibitors of trypanothione reductase.
Chemmedchem, 9, 2014
6OEX
  • Download 6oex
  • View 6oex
Molmil generated image of 6oex
CRYSTAL STRUCTURE OF TRYPANOTHIONE REDUCTASE FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH INHIBITOR 3-(2-{1-[2-(PIPERIDIN-4-YL)ETHYL]-1H-INDOL-5-YL}-5-[1-(PYRROLIDIN-1-YL)CYCLOHEXYL]-1,3- THIAZOL-4-YL)-N-(2,2,2-TRIFLUOROETHYL)PROP-2-YN-1-AMINE
Descriptor:Trypanothione reductase, FLAVIN-ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Halgas, O., De Gasparo, R., Harangozo, D., Krauth-Siegel, R.L., Diederich, F., Pai, E.F.
Deposit date:2019-03-28
Release date:2019-07-31
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase.
Chemistry, 25, 2019
6OEY
  • Download 6oey
  • View 6oey
Molmil generated image of 6oey
CRYSTAL STRUCTURE OF TRYPANOTHIONE REDUCTASE FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH INHIBITOR (+)-5-{5-[1-(PYRROLIDIN-1-YL)CYCLOHEXYL]-1,3-THIAZOL-2-YL}-1-{[(2S)-PYRROLIDIN-2-YL]METHYL}-1H-INDOLE
Descriptor:Trypanothione reductase, FLAVIN-ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Halgas, O., De Gasparo, R., Harangozo, D., Krauth-Siegel, R.L., Diederich, F., Pai, E.F.
Deposit date:2019-03-28
Release date:2019-07-31
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase.
Chemistry, 25, 2019
6OEZ
  • Download 6oez
  • View 6oez
Molmil generated image of 6oez
CRYSTAL STRUCTURE OF TRYPANOTHIONE REDUCTASE FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH INHIBITOR (+)-N-(CYCLOBUTYLMETHYL)-3-{5-[1-(PYRROLIDIN-1-YL)CYCLOHEXYL]-2-(1-{[(2S)-PYRRO-LIDIN-2-YL]METHYL}-1H-INDOL-5-YL)-1,3-THIAZOL-4-YL}PROP-2-YN-1-AMINE
Descriptor:Trypanothione reductase, FLAVIN-ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Halgas, O., De Gasparo, R., Harangozo, D., Krauth-Siegel, R.L., Diederich, F., Pai, E.F.
Deposit date:2019-03-28
Release date:2019-07-31
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase.
Chemistry, 25, 2019
2RM5
  • Download 2rm5
  • View 2rm5
Molmil generated image of 2rm5
GLUTATHIONE PEROXIDASE-TYPE TRYPAREDOXIN PEROXIDASE, OXIDIZED FORM
Descriptor:Glutathione peroxidase-like protein
Authors:Melchers, J., Feher, K., Diechtierow, M., Krauth-Siegel, L., Tews, I., Muhle-Goll, C.
Deposit date:2007-10-03
Release date:2008-07-29
Last modified:2013-10-16
Method:SOLUTION NMR
Cite:Structural basis for a distinct catalytic mechanism in Trypanosoma brucei tryparedoxin peroxidase
J.Biol.Chem., 283, 2008
2RM6
  • Download 2rm6
  • View 2rm6
Molmil generated image of 2rm6
GLUTATHIONE PEROXIDASE-TYPE TRYPAREDOXIN PEROXIDASE, REDUCED FORM
Descriptor:Glutathione peroxidase-like protein
Authors:Melchers, J., Feher, K., Diechtierow, M., Krauth-Siegel, L., Muhle-Goll, C.
Deposit date:2007-10-09
Release date:2008-07-29
Last modified:2013-10-16
Method:SOLUTION NMR
Cite:Structural basis for a distinct catalytic mechanism in Trypanosoma brucei tryparedoxin peroxidase
J.Biol.Chem., 283, 2008
3DWV
  • Download 3dwv
  • View 3dwv
Molmil generated image of 3dwv
GLUTATHIONE PEROXIDASE-TYPE TRYPAREDOXIN PEROXIDASE, OXIDIZED FORM
Descriptor:Glutathione peroxidase-like protein
Authors:Tews, I., Sinning, I., Krauth-Siegel, L.
Deposit date:2008-07-23
Release date:2008-08-05
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structural basis for a distinct catalytic mechanism in Trypanosoma brucei tryparedoxin peroxidase.
J.Biol.Chem., 283, 2008
3P3K
  • Download 3p3k
  • View 3p3k
Molmil generated image of 3p3k
THE CRYSTAL STRUCTURE OF TRANSLATIONALLY CONTROLLED TUMOR PROTEIN (TCTP) OF PLASMODIUM FALCIPARUM
Descriptor:Translationally-controlled tumor protein homolog
Authors:Eichhorn, T., Winter, D., Dirdjaja, N., Frank, M., Krauth-Siegel, L., Granzin, J., Efferth, T.
Deposit date:2010-10-05
Release date:2011-11-09
Last modified:2013-01-09
Method:X-RAY DIFFRACTION (2.551 Å)
Cite:Molecular interaction of artemisinin with translationally controlled tumor protein (TCTP) of Plasmodium falciparum.
Biochem Pharmacol, 85, 2013
1GRA
  • Download 1gra
  • View 1gra
Molmil generated image of 1gra
SUBSTRATE BINDING AND CATALYSIS BY GLUTATHIONE REDUCTASE AS DERIVED FROM REFINED ENZYME: SUBSTRATE CRYSTAL STRUCTURES AT 2 ANGSTROMS RESOLUTION
Descriptor:GLUTATHIONE REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Karplus, P.A., Schulz, G.E.
Deposit date:1992-12-15
Release date:1994-01-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substrate binding and catalysis by glutathione reductase as derived from refined enzyme: substrate crystal structures at 2 A resolution.
J.Mol.Biol., 210, 1989
1GRB
  • Download 1grb
  • View 1grb
Molmil generated image of 1grb
SUBSTRATE BINDING AND CATALYSIS BY GLUTATHIONE REDUCTASE AS DERIVED FROM REFINED ENZYME: SUBSTRATE CRYSTAL STRUCTURES AT 2 ANGSTROMS RESOLUTION
Descriptor:GLUTATHIONE REDUCTASE, PHOSPHATE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Karplus, P.A., Schulz, G.E.
Deposit date:1992-12-15
Release date:1994-01-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Substrate binding and catalysis by glutathione reductase as derived from refined enzyme: substrate crystal structures at 2 A resolution.
J.Mol.Biol., 210, 1989
1GRE
  • Download 1gre
  • View 1gre
Molmil generated image of 1gre
SUBSTRATE BINDING AND CATALYSIS BY GLUTATHIONE REDUCTASE AS DERIVED FROM REFINED ENZYME: SUBSTRATE CRYSTAL STRUCTURES AT 2 ANGSTROMS RESOLUTION
Descriptor:GLUTATHIONE REDUCTASE, PHOSPHATE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Karplus, P.A., Schulz, G.E.
Deposit date:1992-12-15
Release date:1994-01-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substrate binding and catalysis by glutathione reductase as derived from refined enzyme: substrate crystal structures at 2 A resolution.
J.Mol.Biol., 210, 1989
1GRF
  • Download 1grf
  • View 1grf
Molmil generated image of 1grf
SUBSTRATE BINDING AND CATALYSIS BY GLUTATHIONE REDUCTASE AS DERIVED FROM REFINED ENZYME: SUBSTRATE CRYSTAL STRUCTURES AT 2 ANGSTROMS RESOLUTION
Descriptor:GLUTATHIONE REDUCTASE, PHOSPHATE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Karplus, P.A., Schulz, G.E.
Deposit date:1992-12-15
Release date:1994-01-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substrate binding and catalysis by glutathione reductase as derived from refined enzyme: substrate crystal structures at 2 A resolution.
J.Mol.Biol., 210, 1989
1GRG
  • Download 1grg
  • View 1grg
Molmil generated image of 1grg
SUBSTRATE BINDING AND CATALYSIS BY GLUTATHIONE REDUCTASE AS DERIVED FROM REFINED ENZYME: SUBSTRATE CRYSTAL STRUCTURES AT 2 ANGSTROMS RESOLUTION
Descriptor:GLUTATHIONE REDUCTASE, PHOSPHATE ION, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Karplus, P.A., Schulz, G.E.
Deposit date:1992-12-15
Release date:1994-01-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substrate binding and catalysis by glutathione reductase as derived from refined enzyme: substrate crystal structures at 2 A resolution.
J.Mol.Biol., 210, 1989
<12>