5TNT: Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors

PDB ID: 5TNTDownload
MMDB ID: 150151
PDB Deposition Date: 2016/10/14
Updated in MMDB: 2017/12
Experimental Method:
x-ray diffraction
Resolution: 1.4  Å
Source Organism:
Similar Structures:
Biological Unit for 5TNT: dimeric; determined by author and by software (PISA)
Molecular Components in 5TNT
Label Count Molecule
Proteins (2 molecules)
1
Coagulation Factor IX
(Gene symbol: F9)
Molecule annotation
1
Coagulation Factor IX
(Gene symbol: F9)
Molecule annotation
Chemicals and Non-standard biopolymers (3 molecules)
1
1
N-[(1S,4S,7R)-2-(3-amino-4-chloro[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-(3-methyl-1H-1,2,4-triazol-1-yl)benzamideN-[(1S,4S,7R)-2-(3-amino-4-chloro[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-(3-methyl-1H-1,2,4-triazol-1-yl)benzamide
2
1
SODIUM IONSODIUM ION
3
1
2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID
* 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