Brand  (β version)

PDB ID: 4DW6

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Ligands
Code Name Style Show Link
0MN N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methoxyphenoxy)acetamide PoSSuM
GOL Glycerol PoSSuM
NH4 Ammonium ion PoSSuM
Non-standard Residues
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Structure summary

Code : 4DW6   PDBj   RCSB PDB   PDBe
Header : TRANSCRIPTION/INHIBITOR
Title : Novel N-phenyl-phenoxyacetamide derivatives as potential EthR inhibitors and ethionamide boosters. Discovery and optimization using High-Throughput Synthesis.
Release Data : 2013-03-27
Compound :
mol_id molecule chains
1 HTH-type transcriptional regulator EthR A
Source :
mol_id organism_scientific expression_system
1 Mycobacterium tuberculosis  (taxid:1773) Escherichia coli  (taxid:562)
strain: H37RV
gene: etaR, ethR, MT3970, Rv3855
Authors : Flipo, M., Willand, N., Lecat-Guillet, N., Hounsou, C., Desroses, M., Leroux, F., Lens, Z., Villeret, V., Wohlkonig, A., Wintjens, R., Christophe, T., Jeon, H.K., Locht, C., Brodin, P., Baulard, A.R., Deprez, B.
Keywords : TETR-FAMILY, TRANSCRITPTIONAL REGULATORY REPRESSOR, INHIBITOR, DNA BINDING PROTEIN, TRANSCRIPTION REPRESSOR-INHIBITOR COMPLEX, TRANSCRIPTION-INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.00 Å )
Citation :

Discovery of novel N-phenylphenoxyacetamide derivatives as EthR inhibitors and ethionamide boosters by combining high-throughput screening and synthesis.

Flipo, M.,Willand, N.,Lecat-Guillet, N.  et al.
(2012)  J.Med.Chem.  55 : 6391 - 6402

PubMed: 22738293
DOI: 10.1021/jm300377g

Reaction

Chain : A
UniProt : P96222 (multiple entry names are found)
Reaction : -