3R92: Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model

PDB ID: 3R92Download
MMDB ID: 91246
PDB Deposition Date: 2011/3/24
Updated in MMDB: 2012/11
Experimental Method:
x-ray diffraction
Resolution: 1.5801  Å
Source Organism:
Similar Structures:
Biological Unit for 3R92: monomeric; determined by author and by software (PISA)
Molecular Components in 3R92
Label Count Molecule
Protein (1 molecule)
1
Heat Shock Protein HSP 90-alpha
(Gene symbol: HSP90AA1)
Molecule annotation
Chemical and Non-standard biopolymers (1 molecule)
1
1
(3aR)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14,15,17,18,19-dodecahydro-13H-10,6-(metheno)pyrrolo[2',1':3,4][1,4,9]triazacyclotetradecino[9,8-a]indole-7-carboxamide(3aR)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14,15,17,18,19-dodecahydro-13H-10,6-(metheno)pyrrolo[2',1':3,4][1,4,9]triazacyclotetradecino[9,8-a]indole-7-carboxamide
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303