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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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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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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1DVJ
 | | CRYSTAL STRUCTURE OF OROTIDINE MONOPHOSPHATE DECARBOXYLASE COMPLEXED WITH 6-AZAUMP | | Descriptor: | 6-AZA URIDINE 5'-MONOPHOSPHATE, OROTIDINE 5'-PHOSPHATE DECARBOXYLASE | | Authors: | Wu, N, Mo, Y, Gao, J, Pai, E.F. | | Deposit date: | 2000-03-30 | | Release date: | 2000-04-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Electrostatic stress in catalysis: structure and mechanism of the enzyme orotidine monophosphate decarboxylase.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1DV7
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1EP0
 | | HIGH RESOLUTION CRYSTAL STRUCTURE OF DTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE FROM METHANOBACTERIUM THERMOAUTOTROPHICUM | | Descriptor: | DTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE | | Authors: | Christendat, D, Saridakis, V, Bochkarev, A, Pai, E.F, Arrowsmith, C.H, Edwards, A.M, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2000-03-24 | | Release date: | 2000-12-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of dTDP-4-keto-6-deoxy-D-hexulose 3,5-epimerase from Methanobacterium thermoautotrophicum complexed with dTDP.
J.Biol.Chem., 275, 2000
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1EPZ
 | | CRYSTAL STRUCTURE OF DTDP-6-DEOXY-D-XYLO-4-HEXULOASE 3,5-EPIMERASE FROM METHANOBACTERIUM THERMOAUTOTROPHICUM WITH BOUND LIGAND. | | Descriptor: | DTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE, THYMIDINE-5'-DIPHOSPHATE | | Authors: | Christendat, D, Saridakis, V, Bochkarev, A, Pai, E.F, Arrowsmith, C, Edwards, A.M. | | Deposit date: | 2000-03-30 | | Release date: | 2000-12-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of dTDP-4-keto-6-deoxy-D-hexulose 3,5-epimerase from Methanobacterium thermoautotrophicum complexed with dTDP.
J.Biol.Chem., 275, 2000
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1EJ2
 | | Crystal structure of methanobacterium thermoautotrophicum nicotinamide mononucleotide adenylyltransferase with bound NAD+ | | Descriptor: | NICOTINAMIDE MONONUCLEOTIDE ADENYLYLTRANSFERASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... | | Authors: | Saridakis, V, Christendat, D, Kimber, M.S, Edwards, A.M, Pai, E.F, Midwest Center for Structural Genomics (MCSG), Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2000-02-29 | | Release date: | 2001-03-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Insights into ligand binding and catalysis of a central step in NAD+ synthesis: structures of Methanobacterium thermoautotrophicum NMN adenylyltransferase complexes.
J.Biol.Chem., 276, 2001
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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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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: | 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, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 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: | 2023-10-11 | | 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
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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: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 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: | 2023-10-11 | | 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
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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: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, N-(cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine, ... | | 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: | 2023-10-11 | | 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
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4EED
 | | CorA coiled-coil mutant under Mg2+ presence | | Descriptor: | MAGNESIUM ION, Magnesium transport protein CorA | | Authors: | Pfoh, R, Pai, E.F. | | Deposit date: | 2012-03-28 | | Release date: | 2012-11-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.92 Å) | | Cite: | Structural asymmetry in the magnesium channel CorA points to sequential allosteric regulation.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4EEB
 | | CorA coiled-coil mutant under Mg2+ absence | | Descriptor: | CESIUM ION, Magnesium transport protein CorA, SODIUM ION | | Authors: | Pfoh, R, Pai, E.F. | | Deposit date: | 2012-03-28 | | Release date: | 2012-11-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structural asymmetry in the magnesium channel CorA points to sequential allosteric regulation.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4HHA
 | | Anti-Human Cytomegalovirus (HCMV) Fab KE5 with epitope peptide AD-2S1 | | Descriptor: | Antibody KE5, CHLORIDE ION, Fab KE5, ... | | Authors: | Bryson, S, Risnes, L, Damgupta, S, Thomson, C.A, Pfoh, R, Schrader, J.W, Pai, E.F. | | Deposit date: | 2012-10-09 | | Release date: | 2013-10-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structures of Preferred Human IgV Genes-Based Protective Antibodies Identify How Conserved Residues Contact Diverse Antigens and Assign Source of Specificity to CDR3 Loop Variation.
J. Immunol., 196, 2016
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221P
 | | 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: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 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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5T4T
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn - Apo No Halide | | Descriptor: | ACETATE ION, Fluoroacetate dehalogenase | | Authors: | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | | Deposit date: | 2016-08-30 | | Release date: | 2017-02-01 | | Last modified: | 2023-10-04 | | 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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5SWN
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Fluoroacetate - Cocrystallized | | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase, fluoroacetic acid | | Authors: | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | | Deposit date: | 2016-08-08 | | Release date: | 2017-02-01 | | Last modified: | 2023-10-04 | | 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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2E2A
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