Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-((3-Fluorophenethylamino)methyl)quinolin-2-amine

Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors.

NOSOXY-LIKE PROTEIN, NITRIC OXIDE SYNTHASE

MEEKEILWNEAKAFIAACYQELGKAAEVKDRLADIKSEIDLTGSYVHTKEELEHGAKMAWRNSNRCIGRLFWNSLNVIDR
RDVRTKEEVRDALFHHIETATNNGKIRPTITIFPPEEKGEKQVEIWNHQLIRYAGYESDGERIGDPASCSLTAACEELGW
RGERTDFDLLPLIFRMKGDEQPVWYELPRSLVIEVPITHPDIEAFSDLELKWYGVPIISDMKLEVGGIHYNAAPFNGWYM
GTEIGARNLADEKRYDKLKKVASVIGIAADYNTDLWKDQALVELNKAVLHSYKKQGVSIVDHHTAASQFKRFEEQAEEAG
RKLTGDWTWLIPPISPAATHIFHRSYDNSIVKPNYFYQDKPYE

CC ONE HALF FOR FULL DATA SET AT 0.999. CC ONE HALF FOR HIGH RESOLUTION SHELL AT 0.856

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 QUINOLIN-2-AMINE

STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 4-METHYLQUINOLIN-2-AMINE

STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 7-(2-(3-(3-FLUOROPHENYL(PROPYLAMINO) METHYL))QUINOLIN-2- AMINE

STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 7-(2-(3-FLUOROBENZYLAMINO)ETHYL)QUINOLIN -2-AMINE

STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 7-((3-FLUOROPHENETHYLAMINO)ETHYL)QUINOLIN- 2-AMINE

STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH TWO MOLECULES OF 7-((3- FLUOROPHENETHYLAMINO)ETHYL)QUINOLIN-2-AMINE

STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE I218V IN COMPLEX WITH 7-((3-FLUOROPHENETHYLAMINO)ETHYL) QUINOLIN-2-AMINE

STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 7-(((3-(DIMETHYLAMINO)BENZYL)AMINO)METHYL )QUINOLIN-2-AMINE

STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 7-(((3-(PYRIDIN-3-YL)PROPYL)AMINO) METHYL)QUINOLIN-2-AMINE

STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 7-(((3-((DIMETHYLAMINO)METHYL)PHENYL) AMINO)METHYL) QUINOLIN-2-AMINE

STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 7-((2-((METHYLAMINO)METHYL)PHENOXY)METHYL )QUINOLIN-2-AMINE

STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 7-((3-(METHYLAMINO)METHYL)PHENOXY)METHYL )QUINOLIN-2-AMINE

STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE I218V IN COMPLEX WITH 7-((3-(METHYLAMINO)METHYL) PHENOXY)METHYL)QUINOLIN-2-AMINE

STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 7-((3-(2-(METHYLAMINO)ETHYL)PHENOXY) METHYL)QUINOLIN-2- AMINE

STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE I218V IN COMPLEX WITH 7-((3-(2-(METHYLAMINO)ETHYL) PHENOXY)METHYL)QUINOLIN-2- AMINE

STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 7-((4-CHLORO-3-((METHYLAMINO)METHYL) PHENOXY)METHYL) QUINOLIN-2-AMINE

STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 7-((3-AMINOMETHYL)PHENOXY)METHYL)QUINOLIN -2-AMINE

STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 7-((4-(DIMETHYLAMINO)METHYL)PHENOXY) METHYL)QUINOLIN-2- AMINE

STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH TWO MOLECULES OF 7-((4-(DIMETHYLAMINO) METHYL)PHENOXY)METHYL)QUINOLIN-2- AMINE

STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE I218V IN COMPLEX WITH 7-((4-(DIMETHYLAMINO)METHYL) PHENOXY)METHYL)QUINOLIN-2- AMINE

STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMPLEX WITH 7-(((5-((METHYLAMINO)METHYL)PYRIDIN-3- YL)OXY)METHYL) QUINOLIN-2-AMINE

SURFACE ENTROPY MUTATIONS E25A, E26A AND E316A

DATA WAS REFINED AGAINST A DATA SET THAT WAS FURTHER SCALED USING UCLA'S ANISOTROPY SERVER

NITRIC OXIDE SYNTHASE, OXIDOREDUCTASE, INHIBITOR