3ELL
| Structure of the hemophore from Pseudomonas aeruginosa (HasAp) | Descriptor: | HasAp (Heme acquisition protein HasAp), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Schonbrunn, E, Rivera, M. | Deposit date: | 2008-09-22 | Release date: | 2009-01-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural characterization of the hemophore HasAp from Pseudomonas aeruginosa: NMR spectroscopy reveals protein-protein interactions between Holo-HasAp and hemoglobin. Biochemistry, 48, 2009
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1L5Z
| CRYSTAL STRUCTURE OF THE E121K SUBSTITUTION OF THE RECEIVER DOMAIN OF SINORHIZOBIUM MELILOTI DCTD | Descriptor: | C4-DICARBOXYLATE TRANSPORT TRANSCRIPTIONAL REGULATORY PROTEIN DCTD, GLYCEROL, SULFATE ION | Authors: | Park, S, Meyer, M, Jones, A.D, Yennawar, H.P, Yennawar, N.H, Nixon, B.T. | Deposit date: | 2002-03-08 | Release date: | 2002-10-23 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Two-component signaling in the AAA + ATPase DctD: binding Mg2+ and BeF3- selects between alternate dimeric states of the receiver domain FASEB J., 16, 2002
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2EUD
| Structures of Yeast Ribonucleotide Reductase I complexed with Ligands and Subunit Peptides | Descriptor: | GEMCITABINE DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Dealwis, C, Xu, H, Faber, C, Uchiki, T, Fairman, J.W, Racca, J. | Deposit date: | 2005-10-28 | Release date: | 2006-03-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of eukaryotic ribonucleotide reductase I define gemcitabine diphosphate binding and subunit assembly. Proc.Natl.Acad.Sci.Usa, 103, 2006
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7F9A
| Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L97 | Descriptor: | 4-[(3S)-3-cyclopropyl-3-(hydroxymethyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, ... | Authors: | Manickam, Y, Malhotra, N, Sharma, A. | Deposit date: | 2021-07-04 | Release date: | 2022-10-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis. Plos Pathog., 19, 2023
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7F9D
| Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L96 | Descriptor: | 4-[(3S)-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(5-methoxypyridin-3-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, ... | Authors: | Manickam, Y, Malhotra, N, Sharma, A. | Deposit date: | 2021-07-04 | Release date: | 2022-10-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.497 Å) | Cite: | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis. Plos Pathog., 19, 2023
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7F9B
| Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L95 | Descriptor: | Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, CHLORIDE ION, ... | Authors: | Manickam, Y, Malhotra, N, Sharma, A. | Deposit date: | 2021-07-04 | Release date: | 2022-10-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.995 Å) | Cite: | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis. Plos Pathog., 19, 2023
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1IRB
| CARBOXYLIC ESTER HYDROLASE | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2 | Authors: | Sundaralingam, M. | Deposit date: | 1997-08-13 | Release date: | 1997-12-24 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Phospholipase A2 engineering. Deletion of the C-terminus segment changes substrate specificity and uncouples calcium and substrate binding at the zwitterionic interface. Biochemistry, 35, 1996
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7F9C
| Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L96 | Descriptor: | 4-[(3S)-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(5-methoxypyridin-3-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, ... | Authors: | Malhotra, N, Manickam, Y, Sharma, A. | Deposit date: | 2021-07-04 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.196 Å) | Cite: | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis. Plos Pathog., 19, 2023
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7F99
| Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L96 | Descriptor: | 4-[(3S)-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(5-methoxypyridin-3-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, CALCIUM ION, ... | Authors: | Manickam, Y, Malhotra, N, Sharma, A. | Deposit date: | 2021-07-04 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.979 Å) | Cite: | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis. Plos Pathog., 19, 2023
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2PKN
| Crystal structure of M tuberculosis Adenosine Kinase complexed with AMP-PCP (non-hydrolyzable ATP analog) | Descriptor: | Adenosine kinase, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | Authors: | Reddy, M.C.M, Palaninathan, S.K, Shetty, N.D, Owen, J.L, Watson, M.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2007-04-18 | Release date: | 2007-06-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High resolution crystal structures of Mycobacterium tuberculosis adenosine kinase: insights into the mechanism and specificity of this novel prokaryotic enzyme J.Biol.Chem., 282, 2007
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2PWU
| tRNA guanine transglycosylase in complex with guanine | Descriptor: | GLYCEROL, GUANINE, Queuine tRNA-ribosyltransferase, ... | Authors: | Tidten, N, Heine, A, Reuter, K, Klebe, G. | Deposit date: | 2007-05-13 | Release date: | 2007-10-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Glutamate versus Glutamine Exchange Swaps Substrate Selectivity in tRNA-Guanine Transglycosylase: Insight into the Regulation of Substrate Selectivity by Kinetic and Crystallographic Studies. J.Mol.Biol., 374, 2007
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1L5Y
| CRYSTAL STRUCTURE OF MG2+ / BEF3-BOUND RECEIVER DOMAIN OF SINORHIZOBIUM MELILOTI DCTD | Descriptor: | BERYLLIUM DIFLUORIDE, BERYLLIUM TETRAFLUORIDE ION, BERYLLIUM TRIFLUORIDE ION, ... | Authors: | Park, S, Meyer, M, Jones, A.D, Yennawar, H.P, Yennawar, N.H, Nixon, B.T. | Deposit date: | 2002-03-08 | Release date: | 2002-10-23 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Two-component signaling in the AAA + ATPase DctD: binding Mg2+ and BeF3- selects between alternate dimeric states of the receiver domain FASEB J., 16, 2002
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2PWV
| tRNA guanine transglycosylase E235Q mutant in complex with preQ0 | Descriptor: | 2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Tidten, N, Stengl, B, Heine, A, Reuter, K, Klebe, G. | Deposit date: | 2007-05-13 | Release date: | 2007-10-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Glutamate versus Glutamine Exchange Swaps Substrate Selectivity in tRNA-Guanine Transglycosylase: Insight into the Regulation of Substrate Selectivity by Kinetic and Crystallographic Studies. J.Mol.Biol., 374, 2007
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3A35
| Crystal structure of LumP complexed with riboflavin | Descriptor: | Lumazine protein, RIBOFLAVIN | Authors: | Sato, Y. | Deposit date: | 2009-06-09 | Release date: | 2009-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.421 Å) | Cite: | Crystal structures of the lumazine protein from Photobacterium kishitanii in complexes with the authentic chromophore, 6,7-dimethyl-8-(1'-D-ribityl) lumazine and its analogues, riboflavin and FMN, at high resolution J.Bacteriol., 192, 2009
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3QHO
| Crystal analysis of the complex structure, Y299F-cellotetraose, of endocellulase from pyrococcus horikoshii | Descriptor: | 458aa long hypothetical endo-1,4-beta-glucanase, PHOSPHATE ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Kim, H.-W, Ishikawa, K. | Deposit date: | 2011-01-26 | Release date: | 2012-02-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Functional analysis of hyperthermophilic endocellulase from Pyrococcus horikoshii by crystallographic snapshots Biochem.J., 437, 2011
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4QH5
| The GLIC pentameric Ligand-Gated Ion Channel (wild-type) crystallized in phosphate buffer | Descriptor: | CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Fourati, Z, Delarue, M, Sauguet, L. | Deposit date: | 2014-05-26 | Release date: | 2015-03-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural characterization of potential modulation sites in the extracellular domain of the prokaryotic pentameric proton-gated ion channel GLIC Acta Crystallogr.,Sect.D, 2015
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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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2GSS
| HUMAN GLUTATHIONE S-TRANSFERASE P1-1 IN COMPLEX WITH ETHACRYNIC ACID | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ETHACRYNIC ACID, GLUTATHIONE S-TRANSFERASE P1-1, ... | Authors: | Oakley, A.J, Rossjohn, J, Parker, M.W. | Deposit date: | 1996-10-29 | Release date: | 1997-11-12 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The three-dimensional structure of the human Pi class glutathione transferase P1-1 in complex with the inhibitor ethacrynic acid and its glutathione conjugate. Biochemistry, 36, 1997
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2Q6S
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2GRZ
| 5ns Photoproduct of the M37V mutant of Scapharca HbI | Descriptor: | CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Knapp, J.E, Pahl, R, Srajer, V, Royer Jr, W.E. | Deposit date: | 2006-04-25 | Release date: | 2006-05-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Allosteric action in real time: Time-resolved crystallographic studies of a cooperative dimeric hemoglobin. Proc.Natl.Acad.Sci.Usa, 103, 2006
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2Q5P
| Crystal Structure of PPARgamma bound to partial agonist MRL24 | Descriptor: | (2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID, Peroxisome Proliferator-Activated Receptor gamma | Authors: | Bruning, J.B, Nettles, K.W. | Deposit date: | 2007-06-01 | Release date: | 2007-10-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism Structure, 15, 2007
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2Q59
| Crystal Structure of PPARgamma LBD bound to full agonist MRL20 | Descriptor: | (2S)-2-(2-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID, Peroxisome Proliferator-Activated Receptor gamma | Authors: | Bruning, J.B, Nettles, K.W. | Deposit date: | 2007-05-31 | Release date: | 2007-10-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism Structure, 15, 2007
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2Q6R
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2Q5S
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1M4S
| Biosynthetic thiolase, Cys89 acetylated, unliganded form | Descriptor: | Acetyl-CoA acetyltransferase, GLYCEROL, SULFATE ION | Authors: | Kursula, P, Ojala, J, Lambeir, A.-M, Wierenga, R.K. | Deposit date: | 2002-07-03 | Release date: | 2002-11-29 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | The catalytic cycle of biosynthetic thiolase: A conformational
journey of an acetyl group through four binding modes and two oxyanion holes Biochemistry, 41, 2002
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