3B92

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

Summary for 3B92

Entry DOI	10.2210/pdb3b92/pdb
Descriptor	ADAM 17, ZINC ION, 3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol, ... (4 entities in total)
Functional Keywords	tnf-alpha converting enzyme, aryl-sulfonamide, tace inhibitors, alternative splicing, cleavage on pair of basic residues, glycoprotein, hydrolase, membrane, metal-binding, metalloprotease, notch signaling pathway, phosphorylation, protease, sh3-binding, transmembrane, zinc, zymogen
Biological source	Homo sapiens (human)
Cellular location	Membrane; Single-pass type I membrane protein: P78536
Total number of polymer chains	1
Total formula weight	29652.95
Authors	Wei, Y. (deposition date: 2007-11-02, release date: 2007-12-18, Last modification date: 2023-08-30)
Primary citation	Bandarage, U.K.,Wang, T.,Come, J.H.,Perola, E.,Wei, Y.,Rao, B.G. Novel thiol-based TACE inhibitors. Part 2: Rational design, synthesis, and SAR of thiol-containing aryl sulfones. Bioorg.Med.Chem.Lett., 18:44-48, 2008 Cited by PubMed: 18054488 DOI: 10.1016/j.bmcl.2007.11.014 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation