3GT9

Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic

Summary for 3GT9

• Entry DOI: 10.2210/pdb3gt9/pdb
• Related: 1TW6 2I3H 2I3I 3F7G 3F7H 3F7I 3GTA
• Descriptor: Baculoviral IAP repeat-containing 7, ZINC ION, N-{(1S)-1-cyclohexyl-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-N~2~-methyl-L-alaninamide, ... (4 entities in total)
• Functional Keywords: zinc binding, peptide complex, apoptosis inhibition, peptidomimetic, small molecule, drug design, apoptosis, metal-binding
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 31095.33

Authors

Franklin, M.C.,Fairbrother, W.J.,Cohen, F. (deposition date: 2009-03-27, release date: 2010-03-09, Last modification date: 2024-04-03)

Primary citation

Cohen, F.,Koehler, M.F.,Bergeron, P.,Elliott, L.O.,Flygare, J.A.,Franklin, M.C.,Gazzard, L.,Keteltas, S.F.,Lau, K.,Ly, C.Q.,Tsui, V.,Fairbrother, W.J.
Antagonists of inhibitor of apoptosis proteins based on thiazole amide isosteres.
Bioorg.Med.Chem.Lett., 20:2229-2233, 2010

PubMed Abstract: A series of IAP antagonists based on thiazole or benzothiazole amide isosteres was designed and synthesized. These compounds were tested for binding to the XIAP-BIR3 and ML-IAP BIR using a fluorescence polarization assay. The most potent of these compounds, 19a and 33b, were found to have K(i)'s of 20-30 nM against ML-IAP and 50-60 nM against XIAP-BIR3.

PubMed: 20189383
DOI: 10.1016/j.bmcl.2010.02.021

Experimental method

X-RAY DIFFRACTION (1.7 Å)