5TMG: Optimization of 3,5-Disubstitued Piperidine: Discovery of Non-Peptide mimetics as an Orally Active Renin Inhibitor

PDB ID: 5TMGDownload
MMDB ID: 155124
PDB Deposition Date: 2016/10/12
Updated in MMDB: 2024/10
Experimental Method:
x-ray diffraction
Resolution: 2.2  Å
Source Organism:
Similar Structures:
Biological Unit for 5TMG: monomeric; determined by author
Molecular Components in 5TMG
Label Count Molecule
Protein (1 molecule)
1
Renin
(Gene symbol: REN)
Molecule annotation
Chemicals and Non-standard biopolymers (7 molecules)
1
1
2-acetamido-2-deoxy-beta-D-glucopyranose2-acetamido-2-deoxy-beta-D-glucopyranose
2
1
5-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-1-phenyl-1H-1,2,3-triazole-4-carboxamide5-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-1-phenyl-1H-1,2,3-triazole-4-carboxamide
3
1
TRIETHYLENE GLYCOLTRIETHYLENE GLYCOL
4
1
DI(HYDROXYETHYL)ETHERDI(HYDROXYETHYL)ETHER
5
3
DIMETHYL SULFOXIDEDIMETHYL SULFOXIDE
* 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