5XIO
| Crystal Structure of Cryptosporidium parvum Prolyl-tRNA Synthetase (CpPRS) in complex with Halofuginone | Descriptor: | 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Proline-tRNA synthetase class II aaRS (Ybak RNA binding domain plus tRNA synthetase), ... | Authors: | Jain, V, Manickam, Y, Sharma, A. | Deposit date: | 2017-04-26 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis Structure, 25, 2017
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5XIH
| Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with inhibitor 5 | Descriptor: | 6,7-bis(fluoranyl)-3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Jain, V, Manickam, Y, Sharma, A. | Deposit date: | 2017-04-26 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis Structure, 25, 2017
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6F9E
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6F9D
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6F9B
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6F9F
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6F9C
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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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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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2XR9
| Crystal structure of Autotaxin (ENPP2) | Descriptor: | CALCIUM ION, ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE FAMILY MEMBER 2, IODIDE ION, ... | Authors: | Kamtekar, S, Hausmann, J, Day, J.E, Christodoulou, E, Perrakis, A. | Deposit date: | 2010-09-13 | Release date: | 2011-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural basis of substrate discrimination and integrin binding by autotaxin. Nat. Struct. Mol. Biol., 18, 2011
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2XRG
| Crystal structure of Autotaxin (ENPP2) in complex with the HA155 boronic acid inhibitor | Descriptor: | CALCIUM ION, ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE FAMILY MEMBER 2, IODIDE ION, ... | Authors: | Hausmann, J, Albers, H.M.H.G, Perrakis, A. | Deposit date: | 2010-09-14 | Release date: | 2011-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural Basis of Substrate Discrimination and Integrin Binding by Autotaxin. Nat.Struct.Mol.Biol., 18, 2011
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5L81
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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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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: | 2024-01-31 | 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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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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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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6I7R
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6I7Q
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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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1BLZ
| ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ACV-FE-NO 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: | 1998-07-22 | Release date: | 1999-01-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure of isopenicillin N synthase complexed with substrate and the mechanism of penicillin formation. Nature, 387, 1997
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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: | 2024-01-17 | 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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