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4M3D

Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches

Summary for 4M3D
Entry DOI10.2210/pdb4m3d/pdb
Related4M3B 4M3E 4M3F 4M3G
DescriptorHTH-type transcriptional regulator EthR, 4-{3-[(phenylsulfonyl)amino]prop-1-yn-1-yl}-N-(3,3,3-trifluoropropyl)benzamide (3 entities in total)
Functional Keywordshelix-turn-helix dna binding protein, tetr-family, transcriptional regulatory repressor, inhibitor, transcription repressor-inhibitor complex, transcription repressor/inhibitor
Biological sourceMycobacterium tuberculosis
Total number of polymer chains1
Total formula weight24192.12
Authors
Primary citationVillemagne, B.,Flipo, M.,Blondiaux, N.,Crauste, C.,Malaquin, S.,Leroux, F.,Piveteau, C.,Villeret, V.,Brodin, P.,Villoutreix, B.O.,Sperandio, O.,Soror, S.H.,Wohlkonig, A.,Wintjens, R.,Deprez, B.,Baulard, A.R.,Willand, N.
Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches.
J.Med.Chem., 57:4876-4888, 2014
Cited by
PubMed: 24818704
DOI: 10.1021/jm500422b
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.9 Å)
Structure validation

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