6NGH
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with (S)-6-(2,3-difluoro-5-(2-(1-methylpyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine
Summary for 6NGH
Entry DOI | 10.2210/pdb6ngh/pdb |
Descriptor | Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ... (7 entities in total) |
Functional Keywords | nitric oxide synthase, inhibitor complex, heme enzyme, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 100160.88 |
Authors | Li, H.,Poulos, T.L. (deposition date: 2018-12-21, release date: 2019-03-13, Last modification date: 2023-10-11) |
Primary citation | Do, H.T.,Li, H.,Chreifi, G.,Poulos, T.L.,Silverman, R.B. Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62:2690-2707, 2019 Cited by PubMed: 30802056DOI: 10.1021/acs.jmedchem.8b02032 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
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