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Literature summary extracted from

  • Catalano, A.; Luciani, R.; Carocci, A.; Cortesi, D.; Pozzi, C.; Borsari, C.; Ferrari, S.; Mangani, S.
    X-ray crystal structures of Enterococcus faecalis thymidylate synthase with folate binding site inhibitors (2016), Eur. J. Med. Chem., 123, 649-664 .
    View publication on PubMed

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
2.1.1.45 in complex with synthesized inhibitors and with methotrexate Enterococcus faecalis

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.1.1.45 2-(4-hydroxy[1,1'-biphenyl]-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione
-
 Enterococcus faecalis
2.1.1.45 2-[2-(3-methoxyphenoxy)propyl]-4-methyl-1H-isoindole-1,3(2H)-dione
-
 Enterococcus faecalis
2.1.1.45 4'-[(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl][1,1'-biphenyl]-2-carbonitrile
-
 Enterococcus faecalis
2.1.1.45 4,5,6,7-tetrachloro-2-[3-(phenylsulfanyl)propyl]-1H-isoindole-1,3(2H)-dione
-
 Enterococcus faecalis
2.1.1.45 methotrexate
-
 Enterococcus faecalis

KM Value [mM]

EC Number KM Value [mM] KM Value Maximum [mM] Substrate Comment Organism Structure
2.1.1.45 0.0136
-
 5,10-methylenetetrahydrofolate pH not specified in the publication, temperature not specified in the publication Enterococcus faecalis

Organism

EC Number Organism UniProt Comment Textmining
2.1.1.45 Enterococcus faecalis Q834R3
-
-
2.1.1.45 Enterococcus faecalis ATCC 700802 Q834R3
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2.1.1.45 5,10-methylenetetrahydrofolate + dUMP
-
 Enterococcus faecalis dihydrofolate + dTMP
-
 ?
2.1.1.45 5,10-methylenetetrahydrofolate + dUMP
-
 Enterococcus faecalis ATCC 700802 dihydrofolate + dTMP
-
 ?

Synonyms

EC Number Synonyms Comment Organism
2.1.1.45 ThyA
-
 Enterococcus faecalis

Ki Value [mM]

EC Number Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
2.1.1.45 0.002
-
 2-(4-hydroxy[1,1'-biphenyl]-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione pH not specified in the publication, temperature not specified in the publication Enterococcus faecalis
2.1.1.45 0.013
-
 2-[2-(3-methoxyphenoxy)propyl]-4-methyl-1H-isoindole-1,3(2H)-dione pH not specified in the publication, temperature not specified in the publication Enterococcus faecalis
2.1.1.45 0.024
-
 4,5,6,7-tetrachloro-2-[3-(phenylsulfanyl)propyl]-1H-isoindole-1,3(2H)-dione pH not specified in the publication, temperature not specified in the publication Enterococcus faecalis
2.1.1.45 0.025
-
 4'-[(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl][1,1'-biphenyl]-2-carbonitrile pH not specified in the publication, temperature not specified in the publication Enterococcus faecalis

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
2.1.1.45 0.013
-
 pH not specified in the publication, temperature not specified in the publication Enterococcus faecalis methotrexate