4L4G
| Structure of cyanide and camphor bound P450cam mutant L358P/K178G | Descriptor: | CAMPHOR, CYANIDE ION, Camphor 5-monooxygenase, ... | Authors: | Batabyal, D, Li, H, Poulos, T.L. | Deposit date: | 2013-06-07 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Synergistic Effects of Mutations in Cytochrome P450cam Designed To Mimic CYP101D1. Biochemistry, 52, 2013
|
|
4L4B
| Structure of L358A/K178G/D182N mutant of P450cam bound to camphor | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Batabyal, D, Li, H, Poulos, T.L. | Deposit date: | 2013-06-07 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | Synergistic Effects of Mutations in Cytochrome P450cam Designed To Mimic CYP101D1. Biochemistry, 52, 2013
|
|
4L6G
| Crystal Structure of P450cin Y81F mutant, crystallized in 7 mM 1,8-cineole | Descriptor: | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, P450cin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Madrona, Y, Poulos, T.L. | Deposit date: | 2013-06-12 | Release date: | 2013-07-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.371 Å) | Cite: | P450cin active site water: implications for substrate binding and solvent accessibility. Biochemistry, 52, 2013
|
|
4K8F
| |
4K5D
| Structure of neuronal nitric oxide synthase heme domain in complex with (S)-1,2-bis((2-amino-4-methylpyridin-6-yl)-methoxy)-propan-3-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-04-14 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.096 Å) | Cite: | Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
|
|
4K5J
| Structure of bovine endothelial nitric oxide synthase heme domain in complex with (S)-1,3-bis((2-amino-4-methylpyridin-6-yl)-methoxy)-butan-4-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[({(2S)-1-amino-4-[(6-amino-4-methylpyridin-2-yl)methoxy]butan-2-yl}oxy)methyl]-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-04-14 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
|
|
4K5E
| Structure of neuronal nitric oxide synthase heme domain in complex with (R)-1,2-bis((2-amino-4-methylpyridin-6-yl)-methoxy)-propan-3-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-04-14 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.892 Å) | Cite: | Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
|
|
4KCL
| Structure of neuronal nitric oxide synthase heme domain in complex with N-(4-(2-((3-(thiophene-2-carboximidamido)benzyl)amino)ethyl)phenyl)thiophene-2-carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-(4-{2-[(3-{[(E)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-04-24 | Release date: | 2014-02-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma. J.Med.Chem., 57, 2014
|
|
4KCS
| Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-(3-((ethyl(3-fluorophenethyl)amino)methyl)phenyl)thiophene-2-carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2013-04-24 | Release date: | 2014-02-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma. J.Med.Chem., 57, 2014
|
|
4K5H
| Structure of bovine endothelial nitric oxide synthase heme domain in complex with (S)-1,2-bis((2-amino-4-methylpyridin-6-yl)-methoxy)-propan-3-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), ACETATE ION, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2013-04-14 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
|
|
4KCO
| Structure of neuronal nitric oxide synthase heme domain in complex with N-(3-((ethyl(3-fluorophenethyl)amino)methyl)phenyl)thiophene-2-carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, BROMIDE ION, N-[3-({ethyl[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-04-24 | Release date: | 2014-02-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma. J.Med.Chem., 57, 2014
|
|
4LUX
| Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-((((3R,5S)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({[(3R,5S)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-07-25 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural and biological studies on bacterial nitric oxide synthase inhibitors. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4LWB
| Structure of Bacillus subtilis nitric oxide synthase in complex with 6-((((3R,5S)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({[(3R,5S)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine, CHLORIDE ION, ... | Authors: | Holden, J.K, Li, H, Poulos, T.L. | Deposit date: | 2013-07-26 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and biological studies on bacterial nitric oxide synthase inhibitors. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4LUW
| Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-((((3R,5S)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({[(3R,5S)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-07-25 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural and biological studies on bacterial nitric oxide synthase inhibitors. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
3N60
| Structure of neuronal nitric oxide synthase heme domain in complex with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) | Descriptor: | 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine), ACETATE ION, CHLORIDE ION, ... | Authors: | Li, H, Delker, S.L, Poulos, T.L. | Deposit date: | 2010-05-25 | Release date: | 2011-02-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . Biochemistry, 49, 2010
|
|
3N6F
| Structure of endothelial nitric oxide synthase N368D single mutant heme domain complexed with 6,6'-(2,2'-(pyridine-3,5-diyl)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) | Descriptor: | 'Nitric oxide synthase, 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine), ... | Authors: | Delker, S.L, Li, H, Poulos, T.L. | Deposit date: | 2010-05-25 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . Biochemistry, 49, 2010
|
|
3N5X
| Structure of neuronal nitric oxide synthase heme domain in complex with 4-(2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)ethyl)-6-methylpyridin-2-amine | Descriptor: | 6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-yl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, CHLORIDE ION, ... | Authors: | Li, H, Delker, S.L, Poulos, T.L. | Deposit date: | 2010-05-25 | Release date: | 2011-02-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . Biochemistry, 49, 2010
|
|
3N6B
| Structure of endothelial nitric oxide synthase H373S single mutant heme domain complexed with 6,6'-(2,2'-(pyridine-3,5-diyl)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine), CACODYLIC ACID, ... | Authors: | Delker, S.L, Li, H, Poulos, T.L. | Deposit date: | 2010-05-25 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . Biochemistry, 49, 2010
|
|
3N5T
| Structure of endothelial nitric oxide synthase heme domain complexed with 6,6'-(2,2'-(pyridine-3,5-diyl)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine), ACETATE ION, ... | Authors: | Delker, S.L, Li, H, Poulos, T.L. | Deposit date: | 2010-05-25 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . Biochemistry, 49, 2010
|
|
3N68
| Structure of endothelial nitric oxide synthase heme domain N368D/V106M double mutant complexed with 4-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenethyl)-6-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[2-(2-amino-6-methylpyridin-4-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Delker, S.L, Li, H, Poulos, T.L. | Deposit date: | 2010-05-25 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . Biochemistry, 49, 2010
|
|
3N67
| Structure of endothelial nitric oxide synthase N368D/V106M double mutant heme domain complexed with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine), ACETATE ION, ... | Authors: | Delker, S.L, Li, H, Poulos, T.L. | Deposit date: | 2010-05-25 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . Biochemistry, 49, 2010
|
|
3N6G
| Structure of endothelial nitric oxide synthase N368D single mutant heme domain complexed with 4-(2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)ethyl)-6-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-yl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Delker, S.L, Li, H, Poulos, T.L. | Deposit date: | 2010-05-25 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . Biochemistry, 49, 2010
|
|
3N5S
| Structure of endothelial nitric oxide synthase heme domain complexed with 4-(2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)ethyl)-6-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-yl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Delker, S.L, Li, H, Poulos, T.L. | Deposit date: | 2010-05-25 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . Biochemistry, 49, 2010
|
|
3N5W
| Structure of neuronal nitric oxide synthase heme domain in complex with 6,6'-(2,2'-(pyridine-3,5-diyl)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) | Descriptor: | 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine), ACETATE ION, CHLORIDE ION, ... | Authors: | Li, H, Delker, S.L, Poulos, T.L. | Deposit date: | 2010-05-25 | Release date: | 2011-02-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . Biochemistry, 49, 2010
|
|
3N66
| Structure of neuronal nitric oxide synthase S602H mutant heme domain in complex with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) | Descriptor: | 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine), ACETATE ION, CHLORIDE ION, ... | Authors: | Li, H, Delker, S.L, Poulos, T.L. | Deposit date: | 2010-05-25 | Release date: | 2011-02-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . Biochemistry, 49, 2010
|
|