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Literature summary for 6.3.2.1 extracted from

  • Sledz, P.; Silvestre, H.L.; Hung, A.W.; Ciulli, A.; Blundell, T.L.; Abell, C.
    Optimization of the interligand overhauser effect for fragment linking: application to inhibitor discovery against Mycobacterium tuberculosis pantothenate synthetase (2010), J. Am. Chem. Soc., 132, 4544-4545.
    View publication on PubMedView publication on EuropePMC

Crystallization (Commentary)

Crystallization (Comment) Organism
crystal structures with compounds 5-methoxyindole and 2-carboxybenzofuranoic acid bound in a ternary complex and in complex with 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid Mycobacterium tuberculosis

Inhibitors

Inhibitors Comment Organism Structure
1-benzofuran-2-carboxylic acid competitive with respect to both ATP and pantoate Mycobacterium tuberculosis
2-methyl-5-methoxyindole binding mode with the 2-CH3 group facing the pantoate pocket Mycobacterium tuberculosis
5-methoxyindole competitive with respect to ATP Mycobacterium tuberculosis

Organism

Organism UniProt Comment Textmining
Mycobacterium tuberculosis P9WIL5
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Mycobacterium tuberculosis H37Rv P9WIL5
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