4FCQ: Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization

PDB ID: 4FCQDownload
MMDB ID: 104246
PDB Deposition Date: 2012/5/25
Updated in MMDB: 2012/11
Experimental Method:
x-ray diffraction
Resolution: 2.151  Å
Source Organism:
Similar Structures:
Biological Unit for 4FCQ: monomeric; determined by author
Molecular Components in 4FCQ
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
4-(2,4-dimethylphenyl)-2-(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile4-(2,4-dimethylphenyl)-2-(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
* 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