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Structure paper

TitleExploring the plasticity of the InhA substrate-binding site using new diaryl ether inhibitors.
Journal, issue, pagesBioorg. Chem., Vol. 143, Page 107032-107032, Year 2023
Publish dateApr 21, 2023 (structure data deposition date)
AuthorsTamhaev, R. / Grosjean, E. / Ahamed, H. / Chebaiki, M. / Rodriguez, F. / Recchia, D. / Degiacomi, G. / Pasca, M.R. / Maveyraud, L. / Mourey, L. / Lherbet, C.
External linksBioorg. Chem. / PubMed:38128204
MethodsX-ray diffraction
Resolution2.108 Å
Structure data

PDB-8otl:
structure of InhA from Mycobacterium tuberculosis in complex with 5-(((4-(2-hydroxyphenoxy)benzyl)(octyl)amino)methyl)-2-phenoxyphenol
Method: X-RAY DIFFRACTION / Resolution: 2.108 Å

Chemicals

ChemComp-NAD:
NICOTINAMIDE-ADENINE-DINUCLEOTIDE / NAD*YM

ChemComp-ACT:
ACETATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-VZE:
5-[[octyl-[[4-(2-oxidanylphenoxy)phenyl]methyl]amino]methyl]-2-phenoxy-phenol

ChemComp-HOH:
WATER

Source
  • mycobacterium tuberculosis (bacteria)
KeywordsOXIDOREDUCTASE / enoyl-ACP-reductase type II fatty acid synthase mycolic acids tuberculosis therapeutic target

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