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Structure paper

TitleTgPRS with double inhibitors
Journal, issue, pagesTo Be Published
Publish dateJul 4, 2021 (structure data deposition date)
AuthorsMalhotra, N. / Manickam, Y. / Sharma, A.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.489 - 2.8 Å
Structure data

PDB-7f9p:
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L95 and azetidine
Method: X-RAY DIFFRACTION / Resolution: 1.57 Å

PDB-7f9q:
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L97 and Febrifugine
Method: X-RAY DIFFRACTION / Resolution: 2.796 Å

PDB-7f9r:
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L95, L-Proline and Febrifugine
Method: X-RAY DIFFRACTION / Resolution: 1.83 Å

PDB-7f9s:
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor T35 and Febrifugine (FF)
Method: X-RAY DIFFRACTION / Resolution: 1.861 Å

PDB-7f9t:
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L97 and Halofuginone
Method: X-RAY DIFFRACTION / Resolution: 1.489 Å

PDB-7f9u:
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor T35 and Halofuginone
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-7f9v:
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor T35 and Halofuginone
Method: X-RAY DIFFRACTION / Resolution: 1.816 Å

PDB-7vc5:
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor T35 and Febrifugine (FF) at 1.61 A resolution
Method: X-RAY DIFFRACTION / Resolution: 1.612 Å

Chemicals

ChemComp-JE6:
~{N}-[4-[(3~{S})-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-6-methyl-pyridin-2-yl]-2-phenyl-ethanamide

ChemComp-02A:
(2S)-azetidine-2-carboxylic acid

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-1XK:
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

ChemComp-9SF:
3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one / alkaloid*YM

ChemComp-CA:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-PRO:
PROLINE

ChemComp-1TI:
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

ChemComp-BCN:
BICINE / pH buffer*YM

ChemComp-GOL:
GLYCEROL

ChemComp-BME:
BETA-MERCAPTOETHANOL

ChemComp-FMT:
FORMIC ACID

ChemComp-HFG:
7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one / alkaloid, medication*YM

ChemComp-OXM:
OXAMIC ACID

ChemComp-ACT:
ACETATE ION

ChemComp-BR:
BROMIDE ION

ChemComp-IOD:
IODIDE ION

ChemComp-F:
FLUORIDE ION

Source
  • toxoplasma gondii (eukaryote)
KeywordsLIGASE / PROTEIN TRANSLATION / INHIBITOR / PRS / ATP POCKET / DOUBLE DRUG / LIGASE/LIGASE INHIBITOR / LIGASE-LIGASE INHIBITOR complex

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