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3SFI:
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:
3SFI
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MMDB ID:
95535
PDB Deposition Date:
2011/6/13
Updated in MMDB:
2011/12
Experimental Method:
x-ray diffraction
Resolution:
2.31 Å
Source Organism:
Mycobacterium tuberculosis
Similar Structures:
VAST+
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Biological Unit for 3SFI: dimeric; determined by author and by software (PISA)
Molecular Components in 3SFI
Label
Count
Molecule
Proteins (2 molecules)
A
A_1
2
Transcriptional Regulatory Repressor Protein (Tetr-family)
Chemicals and Non-standard biopolymers (2 molecules)
1
2
5,5,5-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-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