EC Number   |
Reference |
|---|
  2.1.1.1 | docking of inhibitors to the NNMT nicotinamide-binding site produces a robust correlation between ligand-enzyme interaction docking scores and experimentally calculated IC50 values |
757392 |
| 2.1.1.1 | His-tagged K100A/E101A/E103A mutant, sitting drop vapor diffusion method, PEG3350 |
718914 |
| 2.1.1.1 | in complex with inhibitor (2S,5S)-2-amino-5-(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)-7-(3-carbamoylphenyl)hept-6-ynoic acid. The alkynyl linker is able to span the methyl transfer tunnel of NNMT with ideal shape complementarity |
757410 |
| 2.1.1.1 | in complex with inhibitor 5'-[[(3S)-3-amino-3-carboxypropyl][(3-carbamoylphenyl)methyl]amino]-5'-deoxyadenosine |
757399 |
| 2.1.1.1 | in complex with inhibitors (S)-amino-4-((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(3-(3-carbamoylphenyl)propyl)amino)butanoic acid and (S)-2-amino-4-((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(3-(3-carbamoylphenyl)prop-2-yn-1-yl)amino)butanoic acid |
757404 |
| 2.1.1.1 | in complex with product, 1-methyl nicotinamide, and demethylated cofactor, S-adenosyl-homocysteine, to 1.88 A resolution. 1-methyl nicotinamide binds to the active site and it would be trapped in the active site due to the formation of the bridge between the pole and long C-terminal loop |
755958 |
| 2.1.1.1 | in silico molecular docking. Substrate 4-phenylpyridine binds to the active site of NNMT in two non-redundant poses, one a substrate binding mode and the other an inhibitory mode |
756932 |
