2I3I

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

Summary for 2I3I

• Entry DOI: 10.2210/pdb2i3i/pdb
• Related: 1OXN 1OXQ 1OY7 1TW6
• Descriptor: Baculoviral IAP repeat-containing protein 7, ZINC ION, (3R,6R,9AR)-2,2-DIMETHYL-6-[(N-METHYL-L-ALANYL)AMINO]-N-(3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)-5-OXO-2,3,5,6,9,9A-HEXAHYDRO[1,3]THIAZOLO[3,2-A]AZEPINE-3-CARBOXAMIDE, ... (7 entities in total)
• Functional Keywords: zinc binding, peptide complex, apoptosis inhibition, peptidomimetic, small molecule, drug design, inhibitor-apoptosis complex, inhibitor/apoptosis
• Biological source: Homo sapiens (human)
• Cellular location: Nucleus : Q96CA5
• Total number of polymer chains: 2
• Total formula weight: 31419.52

Authors

Fairbrother, W.J.,Franklin, M.C. (deposition date: 2006-08-18, release date: 2006-09-19, Last modification date: 2024-04-03)

• Primary citation: Zobel, K.,Wang, L.,Varfolomeev, E.,Franklin, M.C.,Elliott, L.O.,Wallweber, H.J.,Okawa, D.C.,Flygare, J.A.,Vucic, D.,Fairbrother, W.J.,Deshayes, K.; Design, synthesis, and biological activity of a potent Smac mimetic that sensitizes cancer cells to apoptosis by antagonizing IAPs.; Acs Chem.Biol., 1:525-533, 2006; PubMed: 17168540; DOI: 10.1021/cb600276q

Experimental method

X-RAY DIFFRACTION (2.3 Å)