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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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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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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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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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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721P
 | | 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: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 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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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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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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6NB1
 | | Crystal structure of Escherichia coli ClpP protease complexed with small molecule activator, ACP1-06 | | Descriptor: | ATP-dependent Clp protease proteolytic subunit, GLYCEROL, N-{2-[(2-chlorophenyl)sulfanyl]ethyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanamide | | Authors: | Mabanglo, M.F, Houry, W.A, Eger, B.T, Bryson, S, Pai, E.F. | | Deposit date: | 2018-12-06 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | ClpP protease activation results from the reorganization of the electrostatic interaction networks at the entrance pores.
Commun Biol, 2, 2019
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6NAQ
 | | Crystal structure of Neisseria meningitidis ClpP protease in Apo form | | Descriptor: | ATP-dependent Clp protease proteolytic subunit, POTASSIUM ION | | Authors: | Houry, W.A, Mabanglo, M.F, Pai, E.F, Eger, B.T, Bryson, S. | | Deposit date: | 2018-12-06 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.022 Å) | | Cite: | ClpP protease activation results from the reorganization of the electrostatic interaction networks at the entrance pores.
Commun Biol, 2, 2019
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5NYV
 | | Crystal structure determination from picosecond infrared laser ablated protein crystals by serial synchrotron crystallography | | Descriptor: | Fluoroacetate dehalogenase | | Authors: | Schulz, E.C, Kaub, J, Busse, F, Mehrabi, P, Mueller-Werkmeiser, H, Pai, E.F, Robertson, W.D, Miller, R.J.D. | | Deposit date: | 2017-05-11 | | Release date: | 2018-03-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Protein crystals IR laser ablated from aqueous solution at high speed retain their diffractive properties: applications in high-speed serial crystallography.
J.Appl.Crystallogr., 50, 2017
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5O2G
 | | Crystal structure determination from picosecond infrared laser ablated protein crystals by serial synchrotron crystallography | | Descriptor: | Fluoroacetate dehalogenase | | Authors: | Schulz, E.C, Kaub, J, Busse, F, Mehrabi, P, Mueller-Werkmeiser, H, Pai, E.F, Robertson, W.D, Miller, R.J.D. | | Deposit date: | 2017-05-20 | | Release date: | 2018-05-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure determination from picosecond infrared laser ablated protein crystals by serial synchrotron crystallography
To Be Published
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5O2I
 | | An efficient setup for fixed-target, time-resolved serial crystallography with optical excitation | | Descriptor: | Fluoroacetate dehalogenase | | Authors: | Schulz, E.C, Mueller-Werkmeister, H, Mehrabi, P, Pai, E.F, Miller, R.J.D. | | Deposit date: | 2017-05-20 | | Release date: | 2018-06-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An efficient setup for fixed-target, time-resolved serial crystallography with optical excitation
To Be Published
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521P
 | | THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, H-RAS P21 PROTEIN, MAGNESIUM ION | | Authors: | Schlichting, I, Krengel, U, Kabsch, W, Wittinghofer, A, Pai, E.F. | | Deposit date: | 1991-06-06 | | Release date: | 1994-01-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.6 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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2GRT
 | | HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, OXIDIZED GLUTATHIONE COMPLEX | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE, 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: | 2023-11-15 | | 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
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3BDJ
 | | Crystal Structure of Bovine Milk Xanthine Dehydrogenase with a Covalently Bound Oxipurinol Inhibitor | | Descriptor: | CALCIUM ION, CARBONATE ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Eger, B.T, Okamoto, K, Nishino, T, Pai, E.F, Nishino, T. | | Deposit date: | 2007-11-14 | | Release date: | 2008-11-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanism of inhibition of xanthine oxidoreductase by allopurinol: crystal structure of reduced bovine milk xanthine oxidoreductase bound with oxipurinol.
Nucleosides Nucleotides Nucleic Acids, 27, 2008
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6DL7
 | | Human mitochondrial ClpP in complex with ONC201 (TIC10) | | Descriptor: | 7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4H)-one, ATP-dependent Clp protease proteolytic subunit, mitochondrial | | Authors: | Halgas, O, Zarabi, S.F, Schimmer, A, Pai, E.F. | | Deposit date: | 2018-05-31 | | Release date: | 2019-05-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mitochondrial ClpP-Mediated Proteolysis Induces Selective Cancer Cell Lethality.
Cancer Cell, 35, 2019
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5K3E
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Glycolate - Cocrystallized | | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase, GLYCOLIC ACID | | Authors: | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | | Deposit date: | 2016-05-19 | | Release date: | 2017-02-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
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5K3B
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Chloroacetate - Cocrystallized | | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase, chloroacetic acid | | Authors: | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | | Deposit date: | 2016-05-19 | | Release date: | 2017-02-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
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5K3A
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/Fluoroacetate - Cocrystallized - Both Protomers Reacted with Ligand | | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase | | Authors: | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | | Deposit date: | 2016-05-19 | | Release date: | 2017-02-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.511 Å) | | Cite: | The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
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5K3D
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5K3C
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/5-Fluorotryptophan | | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase | | Authors: | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | | Deposit date: | 2016-05-19 | | Release date: | 2017-02-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.541 Å) | | Cite: | The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
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5K3F
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/Fluoroacetate - Cocrystallized - Single Protomer Reacted with Ligand | | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase | | Authors: | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | | Deposit date: | 2016-05-19 | | Release date: | 2017-02-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
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