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8Q0T
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BU of 8q0t by Molmil
Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity
Descriptor: 3-(3,4-dimethoxyphenyl)-~{N}-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide, Polyketide synthase Pks13
Authors:Eadsforth, T.C, Punekar, A.S, Green, S.R, Baragana, B.
Deposit date:2023-07-29
Release date:2023-11-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification and Optimization of Novel Inhibitors of the Polyketide Synthase 13 Thioesterase Domain with Antitubercular Activity.
J.Med.Chem., 66, 2023
5IFU
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BU of 5ifu by Molmil
Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with Glyburide
Descriptor: 1,2-ETHANEDIOL, 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, CHLORIDE ION, ...
Authors:Dranow, D.M, Hewitt, S.N, Abendroth, J, Structural Genomics Consortium (SGC)
Deposit date:2016-02-26
Release date:2016-11-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Biochemical and Structural Characterization of Selective Allosteric Inhibitors of the Plasmodium falciparum Drug Target, Prolyl-tRNA-synthetase.
ACS Infect Dis, 3, 2017
4NCX
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BU of 4ncx by Molmil
Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum 3D7
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Proline--tRNA ligase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-10-25
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Biochemical and Structural Characterization of Selective Allosteric Inhibitors of the Plasmodium falciparum Drug Target, Prolyl-tRNA-synthetase.
Acs Infect Dis., 3, 2017
4Q15
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BU of 4q15 by Molmil
Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with Halofuginone and AMPPNP in space group P212121 at 2.35 A
Descriptor: 1,2-ETHANEDIOL, 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, MAGNESIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-04-02
Release date:2016-04-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Biochemical and Structural Characterization of Selective Allosteric Inhibitors of the Plasmodium falciparum Drug Target, Prolyl-tRNA-synthetase.
Acs Infect Dis., 3, 2017
8S00
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BU of 8s00 by Molmil
CpKRS complexed with lysine and an inhibitor
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-oxidanyl-~{N}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide, GLYCEROL, ...
Authors:Dawson, A, Baragana, B, Caldwell, N.
Deposit date:2024-02-13
Release date:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cryptosporidium lysyl-tRNA synthetase inhibitors define the interplay between solubility and permeability required to achieve efficacy.
Sci Transl Med, 16, 2024
7KA0
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BU of 7ka0 by Molmil
Crystal structure of the complex of M. tuberculosis PheRS with cognate precursor tRNA and phenylalanine
Descriptor: ACETATE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Chang, C, Michalska, K, Jedrzejczak, R, Wower, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-09-29
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mycobacterium tuberculosis Phe-tRNA synthetase: structural insights into tRNA recognition and aminoacylation.
Nucleic Acids Res., 49, 2021
7KAB
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BU of 7kab by Molmil
M. tuberculosis PheRS complex with cognate precursor tRNA and phenylalanine
Descriptor: GLYCEROL, MAGNESIUM ION, PHENYLALANINE, ...
Authors:Chang, C, Michalska, K, Jedrzejczak, R, Wower, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-09-30
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mycobacterium tuberculosis Phe-tRNA synthetase: structural insights into tRNA recognition and aminoacylation.
Nucleic Acids Res., 49, 2021
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