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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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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7FAM
 
 | Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with L97 and L-pro | 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, PROLINE, Prolyl-tRNA synthetase (ProRS) | Authors: | Mishra, S, Malhotra, N, Yogavel, M, Sharma, A. | Deposit date: | 2021-07-06 | Release date: | 2022-09-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.42 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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7FAN
 
 | Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with T35 and L-pro | Descriptor: | 4-[(3S)-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, PROLINE, Prolyl-tRNA synthetase (ProRS) | Authors: | Mishra, S, Malhotra, N, Yogavel, M, Sharma, A. | Deposit date: | 2021-07-06 | Release date: | 2022-09-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.769 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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7FAK
 
 | Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with L96 and L-pro | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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, ACETATE ION, ... | Authors: | Malhotra, N, Mishra, S, Yogavel, M, Sharma, A. | Deposit date: | 2021-07-06 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.899 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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7WAI
 
 | Glutamyl-tRNA synthetase from Plasmodium falciparum (PfERS) | Descriptor: | CHLORIDE ION, Glutamyl-tRNA synthetase | Authors: | Sharma, V, Manickam, Y, Harlos, K, Sharma, A. | Deposit date: | 2021-12-14 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.105 Å) | Cite: | Structural characterization of glutamyl-tRNA synthetase (GluRS) from Plasmodium falciparum. Mol.Biochem.Parasitol., 253, 2022
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5L81
 
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4AX8
 
 | Medium resolution structure of the bifunctional kinase- methyltransferase WbdD | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, S-ADENOSYLMETHIONINE, ... | Authors: | Hagelueken, G, Huang, H, Naismith, J.H. | Deposit date: | 2012-06-11 | Release date: | 2012-10-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystallization, Dehydration and Experimental Phasing of Wbdd, a Bifunctional Kinase and Methyltransferase from Escherichia Coli O9A. Acta Crystallogr.,Sect.D, 68, 2012
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2IVJ
 
 | Isopenicillin N Synthase From Aspergillus Nidulans (Anaerobic Ac- cyclopropylglycine Fe Complex) | Descriptor: | D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-CYCLOPROPYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ... | Authors: | Howard-Jones, A.R, Elkins, J.M, Clifton, I.J, Roach, P.L, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | Deposit date: | 2006-06-13 | Release date: | 2007-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Interactions of Isopenicillin N Synthase with Cyclopropyl-Containing Substrate Analogues Reveal New Mechanistic Insight. Biochemistry, 46, 2007
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2IVI
 
 | Isopenicillin N Synthase From Aspergillus Nidulans (Anaerobic Ac- methyl-cyclopropylglycine Fe Complex) | Descriptor: | D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-B-METHYL-D-CYCLOPROPYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ... | Authors: | Elkins, J.M, Howard-Jones, A.R, Clifton, I.J, Roach, P.L, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | Deposit date: | 2006-06-13 | Release date: | 2007-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Interactions of Isopenicillin N Synthase with Cyclopropyl-Containing Substrate Analogues Reveal New Mechanistic Insight. Biochemistry, 46, 2007
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7BH8
 
 | 3H4-Fab HLA-E-VL9 co-complex | Descriptor: | 3H4 Fab heavy chain, 3H4 Fab light chain, Beta-2-microglobulin, ... | Authors: | Walters, L.C, Rozbesky, D. | Deposit date: | 2021-01-10 | Release date: | 2022-04-13 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mouse and human antibodies bind HLA-E-leader peptide complexes and enhance NK cell cytotoxicity. Commun Biol, 5, 2022
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6I7R
 
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6I7Q
 
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1ODN
 
 | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN-EXPOSED PRODUCT FROM ANAEROBIC AC-VINYLGLYCINE FE COMPLEX) | Descriptor: | 6-(5-AMINO-5-CARBOXY-PENTANOYLAMINO)-3-HYDROXYMETHYL-7-OXO-4-THIA-1-AZA-BICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, FE (II) ION, ISOPENICILLIN N SYNTHASE, ... | Authors: | Elkins, J.M, Rutledge, P.J, Burzlaff, N.I, Clifton, I.J, Adlington, R.M, Roach, P.L, Baldwin, J.E. | Deposit date: | 2003-02-19 | Release date: | 2003-06-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystallographic Studies on the Reaction of Isopenicillin N Synthase with an Unsaturated Substrate Analogue Org.Biomol.Chem., 1, 2003
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1ODM
 
 | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ANAEROBIC AC-VINYLGLYCINE FE COMPLEX) | Descriptor: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-VINYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHASE, ... | Authors: | Elkins, J.M, Rutledge, P.J, Burzlaff, N.I, Clifton, I.J, Adlington, R.M, Roach, P.L, Baldwin, J.E. | Deposit date: | 2003-02-19 | Release date: | 2003-06-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Crystallographic Studies on the Reaction of Isopenicillin N Synthase with an Unsaturated Substrate Analogue Org.Biomol.Chem., 1, 2003
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1UNS
 
 | IDENTIFICATION OF A SECONDARY ZINC-BINDING SITE IN STAPHYLOCOCCAL ENTEROTOXIN C2: IMPLICATIONS FOR SUPERANTIGEN RECOGNITION | Descriptor: | ENTEROTOXIN TYPE C-2, ZINC ION | Authors: | Papageorgiou, A.C, Baker, M.D, McLeod, J.D, Goda, S, Sansom, D.M, Tranter, H.S, Acharya, K.R. | Deposit date: | 2003-09-15 | Release date: | 2003-11-13 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of a Secondary Zinc-Binding Site in Staphylococcal Enterotoxin C2: Implications for Superantigen Recognition J.Biol.Chem., 279, 2004
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1STE
 
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1QIQ
 
 | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ACmC Fe COMPLEX) | Descriptor: | FE (III) ION, ISOPENICILLIN N SYNTHASE, N-[N-[2-AMINO-6-OXO-HEXANOIC ACID-6-YL]CYSTEINYL]-S-METHYLCYSTEINE, ... | Authors: | Rutledge, P.J, Clifton, I.J, Burzlaff, N.I, Roach, P.L, Adlington, R.M, Baldwin, J.E. | Deposit date: | 1999-06-15 | Release date: | 2000-06-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction. Nature, 401, 1999
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1QJF
 
 | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (Monocyclic Sulfoxide - Fe COMPLEX) | Descriptor: | 1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ETHYL]-(3R)-[(5S)-5-AMINO-5-CARBOXYPENTANAMIDO]-(4R)-SULFANYLAZETIDIN-2-ONE, FE (II) ION, ISOPENICILLIN N SYNTHASE, ... | Authors: | Rutledge, P.J, Clifton, I.J, Burzlaff, N.I, Roach, P.L, Adlington, R.M, Baldwin, J.E. | Deposit date: | 1999-06-23 | Release date: | 2000-06-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction Nature, 401, 1999
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1QJE
 
 | Isopenicillin N synthase from Aspergillus nidulans (IP1 - Fe complex) | Descriptor: | FE (II) ION, ISOPENICILLIN N, ISOPENICILLIN N SYNTHASE, ... | Authors: | Burzlaff, N.I, Clifton, I.J, Rutledge, P.J, Roach, P.L, Adlington, R.M, Baldwin, J.E. | Deposit date: | 1999-06-23 | Release date: | 2000-06-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction Nature, 401, 1999
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1QIL
 
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6F6I
 
 | CRYSTAL STRUCTURE OF EBOLAVIRUS GLYCOPROTEIN IN COMPLEX WITH PAROXETINE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Envelope glycoprotein, ... | Authors: | Ren, J, Zhao, Y, Fry, E.E, Stuart, D.I. | Deposit date: | 2017-12-05 | Release date: | 2018-01-03 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Target Identification and Mode of Action of Four Chemically Divergent Drugs against Ebolavirus Infection. J. Med. Chem., 61, 2018
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6F6S
 
 | CRYSTAL STRUCTURE OF EBOLAVIRUS GLYCOPROTEIN IN COMPLEX WITH benztropine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Envelope glycoprotein, ... | Authors: | Ren, J, Zhao, Y, Fry, E.E, Stuart, D.I. | Deposit date: | 2017-12-06 | Release date: | 2018-01-03 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Target Identification and Mode of Action of Four Chemically Divergent Drugs against Ebolavirus Infection. J. Med. Chem., 61, 2018
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6F6N
 
 | CRYSTAL STRUCTURE OF EBOLAVIRUS GLYCOPROTEIN IN COMPLEX WITH SERTRALINE | Descriptor: | (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Ren, J, Zhao, Y, Fry, E.E, Stuart, D.I. | Deposit date: | 2017-12-05 | Release date: | 2018-01-03 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Target Identification and Mode of Action of Four Chemically Divergent Drugs against Ebolavirus Infection. J. Med. Chem., 61, 2018
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1BK0
 
 | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ACV-FE COMPLEX) | Descriptor: | FE (III) ION, ISOPENICILLIN N SYNTHASE, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Roach, P.L, Clifton, I.J, Hensgens, C.M.H, Shibata, N, Schofield, C.J, Hajdu, J, Baldwin, J.E. | Deposit date: | 1998-07-14 | Release date: | 1999-01-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of isopenicillin N synthase complexed with substrate and the mechanism of penicillin formation. Nature, 387, 1997
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