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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
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
2BHJ	murine iNO synthase with coumarin inhibitor Descriptor: 7,8-DIHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Mathieu, M, Guilloteau, J.P. Deposit date: 2005-01-12 Release date: 2005-03-31 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (3.2 Å) Cite: Design, Synthesis and Characterization of a Novel Class of Coumarin-Based Inhibitors of Inducible Nitric Oxide Synthase Bioorg.Med.Chem., 13, 2005
8UFU	Structure of human endothelial nitric oxide synthase heme domain in complex with 7-(9-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-4-methylquinolin-2-amine Descriptor: (7M)-7-[(9S)-9-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-4-methylquinolin-2-amine, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2023-10-04 Release date: 2024-03-13 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase. Biochemistry, 63, 2024
8UFS	Structure of human endothelial nitric oxide synthase E361Q mutant heme domain obtain after soaking crystal with 4-methyl-7-(4-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepin-7-yl)quinolin-2-amine dihydrochloride Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, CALCIUM ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2023-10-04 Release date: 2024-03-13 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase. Biochemistry, 63, 2024
8UFR	Structure of human endothelial nitric oxide synthase heme domain in complex with 4-methyl-7-(4-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepin-7-yl)quinolin-2-amine dihydrochloride Descriptor: (7M)-4-methyl-7-(4-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)quinolin-2-amine, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, ... Authors: Li, H, Poulos, T.L. Deposit date: 2023-10-04 Release date: 2024-03-13 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.871 Å) Cite: Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase. Biochemistry, 63, 2024
8UFQ	Structure of human neuronal nitric oxide synthase R354A/G357D/E597Q mutant heme domain obtained after soaking crystal with 4-methyl-7-(4-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepin-7-yl)quinolin-2-amine dihydrochloride Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, Nitric oxide synthase 1, ... Authors: Li, H, Poulos, T.L. Deposit date: 2023-10-04 Release date: 2024-03-13 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase. Biochemistry, 63, 2024
8UFT	Structure of human endothelial nitric oxide synthase P370N mutant heme domain in complex with 4-methyl-7-(4-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepin-7-yl)quinolin-2-amine Descriptor: (7M)-4-methyl-7-(4-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)quinolin-2-amine, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, ... Authors: Li, H, Poulos, T.L. Deposit date: 2023-10-04 Release date: 2024-03-13 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase. Biochemistry, 63, 2024
8UFP	Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-methyl-7-(4-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepin-7-yl)quinolin-2-amine dihydrochloride Descriptor: (7M)-4-methyl-7-(4-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)quinolin-2-amine, GLYCEROL, Nitric oxide synthase, ... Authors: Li, H, Poulos, T.L. Deposit date: 2023-10-04 Release date: 2024-03-13 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase. Biochemistry, 63, 2024
2AN2	P332G, A333S Double mutant of the Bacillus subtilis Nitric Oxide Synthase Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, P332G A333S double mutant of Nitric Oxide Synthase from Bacillus subtilis, ... Authors: Pant, K, Crane, B.R. Deposit date: 2005-08-11 Release date: 2006-08-29 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structure of a loose dimer: an intermediate in nitric oxide synthase assembly J.Mol.Biol., 352, 2005
2AN0	Crystal Structure of the P332G mutant of the Bacillus subtilis NOS Descriptor: Nitric Oxide Synthase, PROTOPORPHYRIN IX CONTAINING FE Authors: Pant, K, Crane, B.R. Deposit date: 2005-08-10 Release date: 2006-08-29 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structure of a loose dimer: an intermediate in nitric oxide synthase assembly J.Mol.Biol., 352, 2005
2AMO	Loose Dimer of a Bacillus subtilis Nitric Oxide Synthase Descriptor: Nitric oxide synthase oxygenase, PROTOPORPHYRIN IX CONTAINING FE Authors: Pant, K, Crane, B.R. Deposit date: 2005-08-09 Release date: 2006-10-31 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structure of a loose dimer: an intermediate in nitric oxide synthase assembly. J.Mol.Biol., 352, 2005
2FC1	Heme NO Complex in NOS Descriptor: 7,8-DIHYDROBIOPTERIN, ARGININE, NITRIC OXIDE, ... Authors: Pant, K, Crane, B.R. Deposit date: 2005-12-10 Release date: 2006-04-04 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2 Å) Cite: Nitrosyl-Heme Structures of Bacillus subtilis Nitric Oxide Synthase Have Implications for Understanding Substrate Oxidation. Biochemistry, 45, 2006
2FLQ	Crystal Structure of Nitric Oxide Synthase from Geobacillus Stearothermophilus (ATCC 12980) complexed with L-arginine Descriptor: ARGININE, Nitric Oxide Synthase, PROTOPORPHYRIN IX CONTAINING FE Authors: Sudhamsu, J, Crane, B.R. Deposit date: 2006-01-06 Release date: 2006-01-31 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (3.2 Å) Cite: Structure and Reactivity of a Thermostable Prokaryotic Nitric-oxide Synthase That Forms a Long-lived Oxy-Heme Complex. J.Biol.Chem., 281, 2006
2FBZ	Heme-No complex in a bacterial Nitric Oxide Synthase Descriptor: 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, N-OMEGA-HYDROXY-L-ARGININE, NITRIC OXIDE, ... Authors: Pant, K, Crane, B.R. Deposit date: 2005-12-10 Release date: 2006-08-29 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Nitrosyl-heme structures of Bacillus subtilis nitric oxide synthase have implications for understanding substrate oxidation. Biochemistry, 45, 2006
2FC2	NO-HEME complex in a bacterial nitric oxide synthase. An Fe(III)-NO may cause nitrosation. Descriptor: 7,8-DIHYDROBIOPTERIN, N-OMEGA-HYDROXY-L-ARGININE, NITRIC OXIDE, ... Authors: Pant, K, Crane, B.R. Deposit date: 2005-12-10 Release date: 2006-08-22 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Nitrosyl-heme structures of Bacillus subtilis nitric oxide synthase have implications for understanding substrate oxidation. Biochemistry, 45, 2006
2NSE	BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE SUBSTRATE COMPLEX Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, CACODYLATE ION, ... Authors: Raman, C.S, Li, H, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L. Deposit date: 1998-08-13 Release date: 1999-05-25 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.34 Å) Cite: Crystal structure of constitutive endothelial nitric oxide synthase: a paradigm for pterin function involving a novel metal center. Cell(Cambridge,Mass.), 95, 1998
2ORS	Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-6-methyl-pyrimidine Complex Descriptor: 1,2-ETHANEDIOL, 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE, Nitric oxide synthase, ... Authors: Adler, M, Whitlow, M. Deposit date: 2007-02-04 Release date: 2007-04-17 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2 Å) Cite: Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors J.Med.Chem., 50, 2007
2ORP	Murine inducible nitric oxide synthase oxygenase domain (delta 114) 2-[4-(2-Imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-isobutyryl-piperazin-2-yl]-N-[2-(4-methoxy-phenyl)-ethyl]-acetamide complex Descriptor: 2-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE, PROTOPORPHYRIN IX CONTAINING FE, nitric oxide synthase, ... Authors: Adler, M, Whitlow, M. Deposit date: 2007-02-04 Release date: 2007-04-10 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.97 Å) Cite: Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors J.Med.Chem., 50, 2007
2ORQ	Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(imidazol-1-yl)phenol and piperonylamine Complex Descriptor: 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE, 4-(1H-IMIDAZOL-1-YL)PHENOL, Nitric oxide synthase, ... Authors: Adler, M, Whitlow, M. Deposit date: 2007-02-04 Release date: 2007-04-17 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors J.Med.Chem., 50, 2007

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