5IN9: Crystal structure of Grp94 bound to methyl 3-chloro-2-(2-(1-((5-chlorofuran-2-yl)methyl)-1H-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate, an inhibitor based on the BnIm and Radamide scaffolds

PDB ID: 5IN9Download
MMDB ID: 138994
PDB Deposition Date: 2016/3/7
Updated in MMDB: 2023/10
Experimental Method:
x-ray diffraction
Resolution: 2.6  Å
Source Organism:
Similar Structures:
Biological Unit for 5IN9: monomeric; determined by author and by software (PISA)
Molecular Components in 5IN9
Label Count Molecule
Protein (1 molecule)
1
Endoplasmin
(Gene symbol: HSP90B1)
Molecule annotation
Chemicals and Non-standard biopolymers (11 molecules)
1
1
TRIETHYLENE GLYCOLTRIETHYLENE GLYCOL
2
9
GLYCEROLGLYCEROL
3
1
methyl 3-chloro-2-(2-{1-[(5-chlorofuran-2-yl)methyl]-1H-imidazol-2-yl}ethyl)-4,6-dihydroxybenzoatemethyl 3-chloro-2-(2-{1-[(5-chlorofuran-2-yl)methyl]-1H-imidazol-2-yl}ethyl)-4,6-dihydroxybenzoate
* 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