5P21
 
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5GRT
 | | HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, GLUTATHIONYLSPERMIDINE COMPLEX | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE, 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: | 2023-08-09 | | 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
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3BVJ
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4VGC
 | | GAMMA-CHYMOTRYPSIN D-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX | | Descriptor: | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID, GAMMA CHYMOTRYPSIN, SULFATE ION | | Authors: | Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F. | | Deposit date: | 1997-05-01 | | Release date: | 1997-11-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
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2FTP
 | | Crystal Structure of hydroxymethylglutaryl-CoA lyase from Pseudomonas aeruginosa | | Descriptor: | GLYCEROL, SODIUM ION, hydroxymethylglutaryl-CoA lyase | | Authors: | Xiao, T, Evdokimova, E, Liu, Y, Kudritska, M, Savchenko, A, Pai, E.F, Edwards, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-01-24 | | Release date: | 2006-03-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of hydroxymethylglutaryl-CoA lyase from Pseudomonas aeruginosa
To be Published
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821P
 | | THREE-DIMENSIONAL STRUCTURES AND PROPERTIES OF A TRANSFORMING AND A NONTRANSFORMING GLYCINE-12 MUTANT OF P21H-RAS | | Descriptor: | C-H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Scheidig, A.J, Krengel, U, Pai, E.F, Kabsch, W, Wittinghofer, A, Goody, R.S. | | Deposit date: | 1993-03-29 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Three-dimensional structures and properties of a transforming and a nontransforming glycine-12 mutant of p21H-ras.
Biochemistry, 32, 1993
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1FO4
 | | CRYSTAL STRUCTURE OF XANTHINE DEHYDROGENASE ISOLATED FROM BOVINE MILK | | Descriptor: | 2-HYDROXYBENZOIC ACID, CALCIUM ION, DIOXOTHIOMOLYBDENUM(VI) ION, ... | | Authors: | Enroth, C, Eger, B.T, Okamoto, K, Nishino, T, Nishino, T, Pai, E.F. | | Deposit date: | 2000-08-24 | | Release date: | 2000-10-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of bovine milk xanthine dehydrogenase and xanthine oxidase: structure-based mechanism of conversion.
Proc.Natl.Acad.Sci.USA, 97, 2000
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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: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, 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: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Binding to large enzyme pockets: small-molecule inhibitors of trypanothione reductase.
Chemmedchem, 9, 2014
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1VSB
 | | SUBTILISIN CARLSBERG L-PARA-CHLOROPHENYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX | | Descriptor: | SUBTILISIN CARLSBERG, TYPE VIII | | Authors: | Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F. | | Deposit date: | 1997-09-17 | | Release date: | 1998-03-18 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
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2FV2
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3KWL
 | | Crystal structure of a hypothetical protein from Helicobacter pylori | | Descriptor: | uncharacterized protein | | Authors: | Lam, R, Thompson, C.M, Vodsedalek, J, Lam, K, Romanov, V, Battaile, K.P, Beletskaya, I, Gordon, E, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2009-12-01 | | Release date: | 2010-12-01 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Crystal structure of a hypothetical protein from Helicobacter pylori
To be Published
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1F1W
 | | SRC SH2 THREF1TRP MUTANT COMPLEXED WITH THE PHOSPHOPEPTIDE S(PTR)VNVQN | | Descriptor: | PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC, S(PTR)VNVQN PHOSPHOPEPTIDE | | Authors: | Kimber, M.S, Nachman, J, Cunningham, A.M, Gish, G.D, Pawson, T, Pai, E.F. | | Deposit date: | 2000-05-20 | | Release date: | 2000-07-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for specificity switching of the Src SH2 domain.
Mol.Cell, 5, 2000
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1F2F
 | | SRC SH2 THREF1TRP MUTANT | | Descriptor: | PHOSPHATE ION, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | | Authors: | Kimber, M.S, Nachman, J, Cunningham, A.M, Gish, G.D, Pawson, T, Pai, E.F. | | Deposit date: | 2000-05-24 | | Release date: | 2000-07-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for specificity switching of the Src SH2 domain.
Mol.Cell, 5, 2000
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3KOR
 | | Crystal structure of a putative Trp repressor from Staphylococcus aureus | | Descriptor: | Possible Trp repressor | | Authors: | Lam, R, Vodsedalek, J, Lam, K, Romanov, V, Battaile, K.P, Beletskaya, I, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2009-11-13 | | Release date: | 2010-11-17 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of a putative Trp repressor from Staphylococcus aureus
To be Published
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3L5A
 | | Crystal structure of a probable NADH-dependent flavin oxidoreductase from Staphylococcus aureus | | Descriptor: | NADH/flavin oxidoreductase/NADH oxidase, TRIETHYLENE GLYCOL | | Authors: | Lam, R, Gordon, R.D, Vodsedalek, J, Battaile, K.P, Grebemeskel, S, Lam, K, Romanov, V, Chan, T, Mihajlovic, V, Thompson, C.M, Guthrie, J, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2009-12-21 | | Release date: | 2010-12-22 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of a probable NADH-dependent flavin oxidoreductase from Staphylococcus aureus
To be Published
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3L20
 | | Crystal structure of a hypothetical protein from Staphylococcus aureus | | Descriptor: | Putative uncharacterized protein | | Authors: | Lam, R, Chan, T, Battaile, K.P, Mihajlovic, V, Romanov, V, Soloveychik, M, Kisselman, G, McGrath, T.E, Lam, K, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2009-12-14 | | Release date: | 2010-10-27 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.451 Å) | | Cite: | Crystal structure of a hypothetical protein from Staphylococcus aureus
To be Published
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621P
 | | THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES | | Descriptor: | H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Krengel, U, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F. | | Deposit date: | 1991-06-06 | | Release date: | 1994-01-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules.
Cell(Cambridge,Mass.), 62, 1990
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1GRT
 | | HUMAN GLUTATHIONE REDUCTASE A34E/R37W MUTANT | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE | | 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: | 2023-08-09 | | 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
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3GRT
 | | HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, OXIDIZED TRYPANOTHIONE COMPLEX | | Descriptor: | 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, FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE | | 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: | 2023-08-09 | | 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
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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: | 1-[2-(piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 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: | 2023-10-04 | | 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
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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: | 1-[2-(piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 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: | 2023-10-04 | | 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
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5KEF
 | | Structure of hypothetical Staphylococcus protein SA0856 with zinc | | Descriptor: | ACETATE ION, PhnB protein, ZINC ION | | Authors: | Battaile, K.P, Chirgadze, Y.N, Lam, R, Chan, T, Mihajlovic, V, Romanov, V, Pai, E, Mendez, V, Chirgadze, N.Y. | | Deposit date: | 2016-06-09 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Crystal structure of Staphylococcus aureus Zn-glyoxalase I: new subfamily of glyoxalase I family.
J. Biomol. Struct. Dyn., 36, 2018
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4GRT
 | | HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, MIXED DISULFIDE BETWEEN TRYPANOTHIONE AND THE ENZYME | | Descriptor: | BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE, FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE | | 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: | 2023-08-09 | | 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
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5DKP
 | | Crystal Structure of N. meningitidis ClpP in complex with agonist ADEP A54556. | | Descriptor: | ATP-dependent Clp protease proteolytic subunit, POTASSIUM ION, SODIUM ION, ... | | Authors: | Goodreid, J.D, Janetzko, J, Santa Maria Jr, J.P, Wong, K, Leung, E, Eger, B.T, Bryson, S, Pai, E.F, Gray-Owen, S.D, Walker, S, Houry, W.A, Batey, R.A. | | Deposit date: | 2015-09-03 | | Release date: | 2016-01-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.381 Å) | | Cite: | Development and Characterization of Potent Cyclic Acyldepsipeptide Analogues with Increased Antimicrobial Activity.
J.Med.Chem., 59, 2016
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1GNP
 | | X-RAY CRYSTAL STRUCTURE ANALYSIS OF THE CATALYTIC DOMAIN OF THE ONCOGENE PRODUCT P21H-RAS COMPLEXED WITH CAGED GTP AND MANT DGPPNHP | | Descriptor: | C-H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID 3'-O-(N-METHYLANTHRANILOYL-2'-DEOXYGUANYLATE ESTER | | Authors: | Scheidig, A, Franken, S.M, Corrie, J.E.T, Reid, G.P, Wittinghofer, A, Pai, E.F, Goody, R.S. | | Deposit date: | 1995-05-11 | | Release date: | 1995-07-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | X-ray crystal structure analysis of the catalytic domain of the oncogene product p21H-ras complexed with caged GTP and mant dGppNHp.
J.Mol.Biol., 253, 1995
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