3F7G
Structure of the BIR domain from ML-IAP bound to a peptidomimetic
Summary for 3F7G
| Entry DOI | 10.2210/pdb3f7g/pdb |
| Related | 1oxn 1oxq 1oy7 3F7H 3F7I |
| Descriptor | Baculoviral IAP repeat-containing protein 7, ZINC ION, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ... (5 entities in total) |
| Functional Keywords | zinc binding, peptide complex, apoptosis inhibition, peptidomimetic, small molecule, drug design, apoptosis, metal-binding, nucleus, zinc-finger |
| Biological source | Homo sapiens (Human) |
| Cellular location | Nucleus : Q96CA5 |
| Total number of polymer chains | 5 |
| Total formula weight | 79944.87 |
| Authors | Franklin, M.C.,Fairbrother, W.J.,Cohen, F. (deposition date: 2008-11-09, release date: 2009-03-17, Last modification date: 2023-09-06) |
| Primary citation | Cohen, F.,Alicke, B.,Elliott, L.O.,Flygare, J.A.,Goncharov, T.,Keteltas, S.F.,Franklin, M.C.,Frankovitz, S.,Stephan, J.P.,Tsui, V.,Vucic, D.,Wong, H.,Fairbrother, W.J. Orally bioavailable antagonists of inhibitor of apoptosis proteins based on an azabicyclooctane scaffold J.Med.Chem., 52:1723-1730, 2009 Cited by PubMed Abstract: A series of IAP antagonists based on an azabicyclooctane scaffold was designed and synthesized. The most potent of these compounds, 14b, binds to the XIAP BIR3 domain, the BIR domain of ML-IAP, and the BIR3 domain of c-IAP1 with K(i) values of 140, 38, and 33 nM, respectively. These compounds promote degradation of c-IAP1, activate caspases, and lead to decreased viability of breast cancer cells without affecting normal mammary epithelial cells. Finally, compound 14b inhibits tumor growth when dosed orally in a breast cancer xenograft model. PubMed: 19228017DOI: 10.1021/jm801450c PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.3 Å) |
Structure validation
Download full validation report
