6O9O: Crystal Structure of SMYD3 with Potent and Selective Isoxazole Amide Inhibitor 1

PDB ID: 6O9ODownload
MMDB ID: 185283
PDB Deposition Date: 2019/3/14
Updated in MMDB: 2024/03
Experimental Method:
x-ray diffraction
Resolution: 1.586  Å
Source Organism:
Similar Structures:
Biological Unit for 6O9O: monomeric; determined by author and by software (PISA)
Molecular Components in 6O9O
Label Count Molecule
Protein (1 molecule)
1
Histone-lysine N-methyltransferase Smyd3
(Gene symbol: SMYD3)
Molecule annotation
Chemicals and Non-standard biopolymers (10 molecules)
1
3
ZINC IONZINC ION
2
2
MAGNESIUM IONMAGNESIUM ION
3
3
GLYCEROLGLYCEROL
4
1
S-ADENOSYL-L-HOMOCYSTEINES-ADENOSYL-L-HOMOCYSTEINE
5
1
5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide
* 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