3B92: Novel thio-based TACE inhibitors Part 2: Rational design, synthesis and SAR of thiol-contaning aryl sufones

PDB ID: 3B92Download
MMDB ID: 61427
PDB Deposition Date: 2007/11/2
Updated in MMDB: 2007/12
Experimental Method:
x-ray diffraction
Resolution: 2  Å
Source Organism:
Similar Structures:
Biological Unit for 3B92: monomeric; determined by software (PISA)
Molecular Components in 3B92
Label Count Molecule
Protein (1 molecule)
1
Adam 17
(Gene symbol: ADAM17)
Molecule annotation
Chemicals and Non-standard biopolymers (3 molecules)
1
2
ZINC IONZINC ION
2
1
3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol
* 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