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7TS1	Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine, GLYCEROL, ... Authors: Li, H, Poulos, T.L. Deposit date: 2022-01-31 Release date: 2022-07-13 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.06 Å) Cite: 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem., 69, 2022
7TS5	Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-methyl-6-(3-(methylamino)prop-1-yn-1-yl)pyridin-2-amine Descriptor: 4-methyl-6-[3-(methylamino)prop-1-yn-1-yl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... Authors: Li, H, Poulos, T.L. Deposit date: 2022-01-31 Release date: 2022-07-13 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.84 Å) Cite: 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem., 69, 2022
7TSO	Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-(3,3-difluoroazetidin-1-yl)propyl)-4-methylpyridin-2-amine Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(3,3-difluoroazetidin-1-yl)propyl]-4-methylpyridin-2-amine, ... Authors: Li, H, Poulos, T.L. Deposit date: 2022-01-31 Release date: 2022-07-13 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2 Å) Cite: 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem., 69, 2022
7TS8	Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-chloro-6-((5-(2-(dimethylamino)ethyl)-2,3-difluorophenyl)ethynyl)pyridin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(dimethylamino)propyl]-4-methylpyridin-2-amine, GLYCEROL, ... Authors: Li, H, Poulos, T.L. Deposit date: 2022-01-31 Release date: 2022-07-13 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.3 Å) Cite: 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem., 69, 2022
7TSL	Structure of human endothelial nitric oxide synthase heme domain in complex with 4-methyl-6-(3-(4-methylpiperazin-1-yl)propyl)pyridin-2-amine Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-methyl-6-[3-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ... Authors: Li, H, Poulos, T.L. Deposit date: 2022-01-31 Release date: 2022-07-13 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.9 Å) Cite: 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem., 69, 2022
7TSF	Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine, ACETATE ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2022-01-31 Release date: 2022-07-13 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.776 Å) Cite: 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem., 69, 2022
7UAM	Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with (6-(3-(4,4-difluoropiperidin-1-yl)propyl)-4-methylpyridin-2-amine) Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine, GLYCEROL, ... Authors: Li, H, Poulos, T.L. Deposit date: 2022-03-13 Release date: 2022-07-13 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.837 Å) Cite: 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem., 69, 2022
7TS3	Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine, GLYCEROL, ... Authors: Li, H, Poulos, T.L. Deposit date: 2022-01-31 Release date: 2022-07-13 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.099 Å) Cite: 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem., 69, 2022
7TS9	Structure of rat neuronal nitric oxide synthase R349A heme domain in complex with 6-(3-(dimethylamino)propyl)-4-methylpyridin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(dimethylamino)propyl]-4-methylpyridin-2-amine, ACETATE ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2022-01-31 Release date: 2022-07-13 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.8526 Å) Cite: 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem., 69, 2022
7TSI	Structure of human endothelial nitric oxide synthase heme domain in complex with 4-methyl-6-(3-((methylamino)methyl)phenyl)pyridin-2-amine Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-methyl-6-{3-[(methylamino)methyl]phenyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ... Authors: Li, H, Poulos, T.L. Deposit date: 2022-01-31 Release date: 2022-07-13 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.1 Å) Cite: 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem., 69, 2022
7TS6	Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-methyl-6-(3-((methylamino)methyl)phenyl)pyridin-2-amine Descriptor: 4-methyl-6-{3-[(methylamino)methyl]phenyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... Authors: Li, H, Poulos, T.L. Deposit date: 2022-01-31 Release date: 2022-07-13 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.8 Å) Cite: 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem., 69, 2022
7TS2	Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3,3-difluoroazetidin-1-yl)propyl)-4-methylpyridin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(3,3-difluoroazetidin-1-yl)propyl]-4-methylpyridin-2-amine, GLYCEROL, ... Authors: Li, H, Poulos, T.L. Deposit date: 2022-01-31 Release date: 2022-07-13 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.9758 Å) Cite: 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem., 69, 2022
7TSD	Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with 6-(3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine, ACETATE ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2022-01-31 Release date: 2022-07-13 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.769 Å) Cite: 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem., 69, 2022
7TSK	Structure of human endothelial nitric oxide synthase heme domain in complex with 4-methyl-6-(3-(methylamino)prop-1-yn-1-yl)pyridin-2-amine Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-methyl-6-[3-(methylamino)prop-1-yn-1-yl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ... Authors: Li, H, Poulos, T.L. Deposit date: 2022-01-31 Release date: 2022-07-13 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.049 Å) Cite: 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem., 69, 2022
7M56	Structure of human endothelial nitric oxide synthase heme domain in complex with 7-((3-(3-aminophenethyl)phenoxy)methyl)quinolin-2-amine Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine, ... Authors: Li, H, Poulos, T.L. Deposit date: 2021-03-22 Release date: 2022-03-30 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.957 Å) Cite: Inhibition of bacterial nitric oxide synthase as an antimicrobial tool in fighting some antibiotic-resistant pathogens To be published
6XMC	Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(2-(6-aminopyridin-2-yl)ethyl)phenoxy)methyl)quinolin-2-amine Descriptor: 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine, CHLORIDE ION, GLYCEROL, ... Authors: Lewis, M.C, Poulos, T.L. Deposit date: 2020-06-30 Release date: 2021-07-07 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase To Be Published
6XK4	Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(((3-(6-aminopyridin-2-yl)propyl)amino)methyl)phenoxy)methyl)quinolin-2-amine Descriptor: 7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, GLYCEROL, ... Authors: Lewis, M.C, Poulos, T.L. Deposit date: 2020-06-25 Release date: 2021-06-30 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.13 Å) Cite: Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase To Be Published
6XK8	Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-((3-((((6-aminopyridin-2-yl)methyl)amino)methyl)phenoxy)methyl)quinolin-2-amine Descriptor: 7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: Lewis, M.C, Poulos, T.L. Deposit date: 2020-06-25 Release date: 2021-06-30 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase To Be Published
6XK3	Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(((pyridin-2-ylmethyl)amino)methyl)phenoxy)methyl)quinolin-2-amine Descriptor: 7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: Lewis, M.C, Poulos, T.L. Deposit date: 2020-06-25 Release date: 2021-06-30 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase To Be Published
6XK7	Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(2-(6-aminopyridin-2-yl)ethyl)phenoxy)methyl)quinolin-2-amine Descriptor: 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine, CHLORIDE ION, GLYCEROL, ... Authors: Lewis, M.C, Poulos, T.L. Deposit date: 2020-06-25 Release date: 2021-06-30 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase To Be Published
6XK6	Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(((2-(pyridin-2-yl)ethyl)amino)methyl)phenoxy)methyl)quinolin-2-amine Descriptor: 7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, GLYCEROL, ... Authors: Lewis, M.C, Poulos, T.L. Deposit date: 2020-06-25 Release date: 2021-06-30 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase To Be Published
6XK5	Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(((4-(6-aminopyridin-2-yl)butyl)amino)methyl)phenoxy)methyl)quinolin-2-amine Descriptor: 7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, GLYCEROL, ... Authors: Lewis, M.C, Poulos, T.L. Deposit date: 2020-06-25 Release date: 2021-06-30 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.87 Å) Cite: Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase To Be Published
6XCX	Nitric Oxide Synthase from Bacillus subtilis in complex with N2-((3-((2-aminoquinolin-7-yl)methoxy)phenoxy)methyl)pyridine-2,6-diamine Descriptor: 7-{[3-(2-{[(6-aminopyridin-2-yl)methyl]amino}ethoxy)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: Lewis, M.C, Poulos, T.L. Deposit date: 2020-06-09 Release date: 2021-06-16 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.2520268 Å) Cite: Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase To Be Published
6PN0	Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-ethoxyphenyl)-4-methylquinolin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine, ACETATE ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2019-07-02 Release date: 2020-04-29 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.229 Å) Cite: First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
6PNA	Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(4-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine, GLYCEROL, ... Authors: Li, H, Poulos, T.L. Deposit date: 2019-07-02 Release date: 2020-04-29 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.95 Å) Cite: First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020

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