3SDG: Ethionamide Boosters Part 2: Combining Bioisosteric Replacement and Structure-Based Drug Design to Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors

PDB ID: 3SDGDownload
MMDB ID: 95534
PDB Deposition Date: 2011/6/9
Updated in MMDB: 2011/12
Experimental Method:
x-ray diffraction
Resolution: 1.87  Å
Source Organism:
Similar Structures:
Biological Unit for 3SDG: dimeric; determined by author and by software (PISA)
Molecular Components in 3SDG
Label Count Molecule
Proteins (2 molecules)
2
Hth-type Transcriptional Regulator Ethr
(Gene symbol: ethR)
Molecule annotation
Chemicals and Non-standard biopolymers (2 molecules)
1
2
4,4,4-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one4,4,4-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303