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Literature summary for 6.5.1.3 extracted from

  • Amaro, R.E.; Schnaufer, A.; Interthal, H.; Hol, W.; Stuart, K.D.; McCammon, J.A.
    Discovery of drug-like inhibitors of an essential RNA-editing ligase in Trypanosoma brucei (2008), Proc. Natl. Acad. Sci. USA, 105, 17278-17283.
    View publication on PubMedView publication on EuropePMC

Crystallization (Commentary)

Crystallization (Comment) Organism
virtual screen of REL1 crystal structure for inhibitors Trypanosoma brucei

Inhibitors

Inhibitors Comment Organism Structure
1-amino-4-(3-(aminosulfonyl)anilino)-9,10-dioxo-9,10-dihydro-2-anthracenesulfonic acid 68.5% residual activity at 0.01 mM, presence of Triton X-100. Molecular dynamics simulations Trypanosoma brucei
3-((4-(ethylamino)phenyl)diazenyl)-4,5-dihydroxy-2,7-naphthalenedisulfonic acid 4.1% residual activity at 0.01 mM, presence of Triton X-100. Molecular dynamics simulations Trypanosoma brucei
3-((5-chloro-2-hydroxyphenyl)diazenyl)-4,5-dihydroxy-2,7-naphthalenedisulfonic acid 8.6% residual activity at 0.01 mM, presence of Triton X-100. Molecular dynamics simulations Trypanosoma brucei
4,5-dihydroxy-3-(1-naphthyldiazenyl)-2,7-naphthalenedisulfonic acid 43.1% residual activity at 0.01 mM, presence of Triton X-100. Molecular dynamics simulations Trypanosoma brucei

Organism

Organism UniProt Comment Textmining
Trypanosoma brucei P86927
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-

Synonyms

Synonyms Comment Organism
REL1
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Trypanosoma brucei
RNA-editing ligase 1
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Trypanosoma brucei