Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-((2-(pyridin-2-yl)ethyl)amino)benzonitrile

Structure-based design of bacterial nitric oxide synthase inhibitors.

MEEKEILWNEAKAFIAACYQELGKAAEVKDRLADIKSEIDLTGSYVHTKEELEHGAKMAWRNSNRCIGRLFWNSLNVIDR
RDVRTKEEVRDALFHHIETATNNGKIRPTITIFPPEEKGEKQVEIWNHQLIRYAGYESDGERIGDPASCSLTAACEELGW
RGERTDFDLLPLIFRMKGDEQPVWYELPRSLVIEVPITHPDIEAFSDLELKWYGVPIISDMKLEVGGIHYNAAPFNGWYM
GTEIGARNLADEKRYDKLKKVASVIGIAADYNTDLWKDQALVELNKAVLHSYKKQGVSIVDHHTAASQFKRFEEQAEEAG
RKLTGDWTWLIPPISPAATHIFHRSYDNSIVKPNYFYQDKPYE

CC ONE HALF FOR FULL DATASET AT 0.995 CC ONE HALF FOR HIGH RESOLUTION SHELL AT 0.915

60 MM BIS-TRIS METHANE, 40 MM CITRIC ACID, 20% PEG3350, 1.9% 1-PROPANOL, PH 7.6, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K

STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 6,6'-((5-(AMINOMETHYL)-1,3-PHENYLENE) BIS(ETHANE-2,1-DIYL))BIS(4-METHYLPYRIDIN-2-AMINE)

STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 6,6'-(2,2'-(5-AMINO-1,3-PHENYLENE) BIS(ETHANE-2,1-DIYL))BIS(4-METHYLPYRIDIN-2-AMINE)

STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 6,6'-((5-(3-AMINOPROPYL)-1,3- PHENYLENE)BIS(ETHANE-2,1-DIYL))BIS(4-METHYLPYRIDIN-2 -AMINE)

STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL) ETHYL)-5-(2-(4-METHYL-6-(METHYLAMINO)PYRIDIN-2-YL) ETHYL)BENZONITRILE

STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 6-(3-(2-(1H-PYRROLO(2,3-B)PYRIDIN- 6-YL)ETHYL)-5-(AMINOMETHYL)PHENETHYL)-4-METHYLPYRIDIN- 2-AMINE

STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH (S)-N-(3-(1-HYDROXY-2-(3-(THIOPHENE- 2-CARBOXIMIDAMIDO)PHENOXY)ETHYL)PHENYL)THIOPHENE-2- CARBOXIMIDAMIDE

STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE H128S IN COMPLEX WITH (S)-N-(3-(1-HYDROXY-2-(3-( THIOPHENE-2-CARBOXIMIDAMIDO)PHENOXY)ETHYL)PHENYL)THIOPHENE -2-CARBOXIMIDAMIDE

STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE I218V IN COMPLEX WITH (S)-N-(3-(1-HYDROXY-2-(3-( THIOPHENE-2-CARBOXIMIDAMIDO)PHENOXY)ETHYL)PHENYL)THIOPHENE -2-CARBOXIMIDAMIDE

MUTATIONS E25A, E26A AND E316A INTRODUCED

NITRIC OXIDE SYNTHASE, OXIDOREDUCTASE, INHIBITOR