3F7I: Structure Of An Ml-iap/xiap Chimera Bound To A Peptidomimetic

Citation:
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.
PDB ID: 3F7IDownload
MMDB ID: 70248
PDB Deposition Date: 2008/11/9
Updated in MMDB: 2017/11
Experimental Method:
x-ray diffraction
Resolution: 1.9  Å
Source Organism:
Similar Structures:
Biological Unit for 3F7I: monomeric; determined by author
Molecular Components in 3F7I
Label Count Molecule
Protein (1 molecule)
1
Baculoviral IAP Repeat-containing Protein 7
Molecule annotation
Chemicals (3 molecules)
1
1
2
1
3
1
* Click molecule labels to explore molecular sequence information.

Citing MMDB
.