Structure of bovine endothelial nitric oxide synthase heme domain in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(methyl(2-(methylamino)ethyl)amino)benzonitrile

2-Aminopyridines with a Truncated Side Chain To Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.

CONSTITUTIVE NOS, CNOS, EC-NOS, ENDOTHELIAL NOS, ENOS, NOS TYPE III, NOSIII, ENDOTHELIAL NITRIC OXIDE SYNTHASE

RAPAPATPHAPDHSPAPNSPTLTRPPEGPKFPRVKNWELGSITYDTLCAQSQQDGPCTPRRCLGSLVLPRKLQTRPSPGP
PPAEQLLSQARDFINQYYSSIKRSGSQAHEERLQEVEAEVASTGTYHLRESELVFGAKQAWRNAPRCVGRIQWGKLQVFD
ARDCSSAQEMFTYICNHIKYATNRGNLRSAITVFPQRAPGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQH
GWTPGNGRFDVLPLLLQAPDEAPELFVLPPELVLEVPLEHPTLEWFAALGLRWYALPAVSNMLLEIGGLEFSAAPFSGWY
MSTEIGTRNLCDPHRYNILEDVAV(CAS)MDLDTRTTSSLWKDKAAVEINLAVLHSFQLAKVTIVDHHAATVSFMKHLDN
EQKARGGCPADWAWIVPPISGSLTPVFHQEMVNYILSPAFRYQPDPW

RAPAPATPHAPDHSPAPNSPTLTRPPEGPKFPRVKNWELGSITYDTLCAQSQQDGPCTPRRCLGSLVLPRKLQTRPSPGP
PPAEQLLSQARDFINQYYSSIKRSGSQAHEERLQEVEAEVASTGTYHLRESELVFGAKQAWRNAPRCVGRIQWGKLQVFD
ARDCSSAQEMFTYICNHIKYATNRGNLRSAITVFPQRAPGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQH
GWTPGNGRFDVLPLLLQAPDEAPELFVLPPELVLEVPLEHPTLEWFAALGLRWYALPAVSNMLLEIGGLEFSAAPFSGWY
MSTEIGTRNLCDPHRYNILEDVAVCMDLDTRTTSSLWKDKAAVEINLAVLHSFQLAKVTIVDHHAATVSFMKHLDNEQKA
RGGCPADWAWIVPPISGSLTPVFHQEMVNYILSPAFRYQPDPW

RMERGE 1.741 RPIM 1.531 CC ONE HALF 0.346

20-22% PEG3350 0.1M CACODYLATE, PH6.0 140-200 MM MG ACETATE 5 MM TCEP

STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N1-(3-(2-(6-AMINO-4- METHYLPYRIDIN-2-YL)ETHYL)PHENYL)-N1,N2-DIMETHYLETHANE- 1,2-DIAMINE

STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N1-(6-(2-(6-AMINO-4- METHYLPYRIDIN-2-YL)ETHYL)PYRIDIN-2-YL)-N1,N2- DIMETHYLETHANE-1,2-DIAMINE

STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N1-(5-(2-(6-AMINO-4- METHYLPYRIDIN-2-YL)ETHYL)PYRIDIN-3-YL)-N1,N2- DIMETHYLETHANE-1,2-DIAMINE

STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N1-(3-(2-(6-AMINO-4- METHYLPYRIDIN-2-YL)ETHYL)-5-(TRIFLUOROMETHYL)PHENYL)-N1 ,N2-DIMETHYLETHANE-1,2-DIAMINE

STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N1-(3-(2-(6-AMINO-4- METHYLPYRIDIN-2-YL)ETHYL)-5-FLUOROPHENYL)-N1,N2- DIMETHYLETHANE-1,2-DIAMINE

STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 3-(2-(6-AMINO-4-METHYLPYRIDIN -2-YL)ETHYL)-5-(METHYL(2-(METHYLAMINO)ETHYL)AMINO) BENZONITRILE

STRUCTURE OF HUMAN NNOS R354A G357D MUTANT HEME DOMAIN IN COMPLEX WITH N1-(5-(2-(6-AMINO-4-METHYLPYRIDIN -2-YL)ETHYL)PYRIDIN-3-YL)-N1,N2-DIMETHYLETHANE-1, 2-DIAMINE

STRUCTURE OF HUMAN NNOS R354A G357D MUTANT HEME DOMAIN IN COMPLEX WITH 3-(2-(6-AMINO-4-METHYLPYRIDIN-2- YL)ETHYL)-5-(METHYL(2-(METHYLAMINO)ETHYL)AMINO) BENZONITRILE

STRUCTURE OF BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N1-(3-(2-(6-AMINO-4- METHYLPYRIDIN-2-YL)ETHYL)PHENYL)-N1,N2-DIMETHYLETHANE- 1,2-DIAMINE

STRUCTURE OF BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N1-(5-(2-(6-AMINO-4- METHYLPYRIDIN-2-YL)ETHYL)PYRIDIN-3-YL)-N1,N2- DIMETHYLETHANE-1,2-DIAMINE

STRUCTURE OF BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH N1-(3-(2-(6-AMINO-4- METHYLPYRIDIN-2-YL)ETHYL)-5-FLUOROPHENYL)-N1,N2- DIMETHYLETHANE-1,2-DIAMINE

S-(DIMETHYLARSENIC)CYSTEINE (CAS): A MODIFIED CYS RESIDUE
RESIDUE 100 IS FOUND AS AN ARG IN STRUCTURE BUT IS A CYS IN DATABASE

RESIDUES 109 TO 120 IN CHAIN A AND 110 TO 120 IN CHAIN B ARE DISORDERED.

NITRIC OXIDE SYNTHASE, ENDOTHELIAL (E.C.1.14.13.39)