EC Number   |
|---|
   3.4.23.39 | crystal structure of Met205Ser mutant enzyme in complex with the two inhibitors rs367 and rs370, crystals are grown at 293 K by vapor diffusion in hanging drops |
| 3.4.23.39 | crystal structure of uncomplexed plasmepsin II as well as the complex with the potent inhibitor EH58, crystals are grown at 20°C by vapor diffusion in hanging drops |
| 3.4.23.39 | crystal structures of Plm II, uncomplexed and in complex with different inhibitors, reveal considerable conformational flexibility |
| 3.4.23.39 | crystallization of proplasmepsin II by sitting drops |
| 3.4.23.39 | generation of 3D-QSAR pharmacophore models for binding of PlmII inhibitors. A series of 26 inhibitors were modeled in the binding clefts of the PlmII and human cathepsin D to establish QSAR models of the proteases inhibition. The contributions of the P2 and P3' residues to the inhibitors binding affinity are responsible for the target selectivity |
| 3.4.23.39 | hanging drop method, X-ray structure of plasmepsin II complexed with the potent non-peptidomimetic achiral inhibitor at 1.6 A |
| 3.4.23.39 | in complex with inhibitors, sitting drop vapor diffusion method, using either 0.1 M HEPES pH 7.5 and 1.4 M sodium citrate tribasic dihydrate or 0.2 M lithium sulfate, 1.26 M ammonium sulfate, 0.1 M Tris pH 8.5 |
| 3.4.23.39 | ligand docking studies with plasmepsin II predict binding of benzimidazole compounds at the center of the extended substrate-binding cleft. According to the plausible mode of binding,the pyridine ring of benzimidazole compounds interact with S1' subsite residues whereas the acetophenone moiety is in contact with S1-S3 subsites of plasmepsin II active center |
| 3.4.23.39 | molecular dynamics simulation using inhibitor (R)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-3-[(2S,3S)-3-(2,6-dimethyl-4-(pyridine-4-ylmethyl)amino-phenoxyacetyl)amino-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide |
| 3.4.23.39 | plasmepsin II in complex with inhibitor N-[(1S)-1-([(1S,2S)-1-([(4-bromobenzyl)oxy]methyl)-4-([(1S)-2-([(1S)-1-carbamoylbutyl]amino)-2-hydroxy-1-methylethyl]amino)-2-hydroxy-4-oxobutyl]carbamoyl)-2-methylpropyl]-4,5-dihydropyridine-2-carboxamide |
