4XIT: Discovery Of Novel Oxazepine And Diazepine Carboxamides As Two New Classes Of Heat Shock Protein 90 Inhibitors

PDB ID: 4XITDownload
MMDB ID: 127540
PDB Deposition Date: 2015/1/7
Updated in MMDB: 2016/06
Experimental Method:
x-ray diffraction
Resolution: 1.86  Å
Source Organism:
Similar Structures:
Biological Unit for 4XIT: monomeric; determined by author and by software (PISA)
Molecular Components in 4XIT
Label Count Molecule
Protein (1 molecule)
1
Heat Shock Protein HSP 90-alpha
(Gene symbol: HSP90AA1)
Molecule annotation
Chemicals and Non-standard biopolymers (2 molecules)
1
1
2-Chloro-5-(Furan-2-Ylmethyl)-8,11,11-Trimethyl-9-Oxo-6,7,9,10,11,12-Hexahydro-5h-Indolo[1,2-A][1,5]benzodiazepine-3-Carboxamide2-Chloro-5-(Furan-2-Ylmethyl)-8,11,11-Trimethyl-9-Oxo-6,7,9,10,11,12-Hexahydro-5h-Indolo[1,2-A][1,5]benzodiazepine-3-Carboxamide
2
1
GlycerolGlycerol
* 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