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2FLQ
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BU of 2flq by Molmil
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
2G6L
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BU of 2g6l by Molmil
Structure of rat nNOS heme domain (BH2 bound) complexed with NO
Descriptor: 7,8-DIHYDROBIOPTERIN, ACETATE ION, ARGININE, ...
Authors:Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L.
Deposit date:2006-02-24
Release date:2006-08-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural studies of constitutive nitric oxide synthases with diatomic ligands bound.
J.Biol.Inorg.Chem., 11, 2006
2G6N
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BU of 2g6n by Molmil
Strcture of rat nNOS heme domain (BH2 bound) complexed with CO
Descriptor: 7,8-DIHYDROBIOPTERIN, ACETATE ION, ARGININE, ...
Authors:Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L.
Deposit date:2006-02-24
Release date:2006-08-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural studies of constitutive nitric oxide synthases with diatomic ligands bound.
J.Biol.Inorg.Chem., 11, 2006
2FC2
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BU of 2fc2 by Molmil
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
3UFS
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BU of 3ufs by Molmil
Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-((5-(3-chloro-5-fluorophenyl)pentyl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-{[5-(3-chloro-5-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2011-11-01
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.971 Å)
Cite:Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
2G6K
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BU of 2g6k by Molmil
Structure of rat nNOS heme domain (BH4 bound) complexed with NO
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ARGININE, ...
Authors:Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L.
Deposit date:2006-02-24
Release date:2006-08-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural studies of constitutive nitric oxide synthases with diatomic ligands bound.
J.Biol.Inorg.Chem., 11, 2006
2G6M
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BU of 2g6m by Molmil
Structure of rat nNOS heme domain (BH4 bound) complexed with CO
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ARGININE, ...
Authors:Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L.
Deposit date:2006-02-24
Release date:2006-08-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural studies of constitutive nitric oxide synthases with diatomic ligands bound.
J.Biol.Inorg.Chem., 11, 2006
2G6I
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BU of 2g6i by Molmil
Structure of rat nNOS heme domain (BH2-bound) in the reduced form
Descriptor: 7,8-DIHYDROBIOPTERIN, ACETATE ION, ARGININE, ...
Authors:Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L.
Deposit date:2006-02-24
Release date:2006-08-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural studies of constitutive nitric oxide synthases with diatomic ligands bound.
J.Biol.Inorg.Chem., 11, 2006
2G6O
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BU of 2g6o by Molmil
Structure of bovine eNOS heme domain (BH4-free) complexed with CO
Descriptor: ACETATE ION, ARGININE, CACODYLATE ION, ...
Authors:Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L.
Deposit date:2006-02-24
Release date:2006-08-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural studies of constitutive nitric oxide synthases with diatomic ligands bound.
J.Biol.Inorg.Chem., 11, 2006
3TYL
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BU of 3tyl by Molmil
Structure of neuronal nitric oxide synthase heme domain in complex with 6-(((3S,4S)-4-(2-((2-fluorobenzyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3S,4S)-4-{2-[(2-fluorobenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2011-09-26
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Intramolecular hydrogen bonding: A potential strategy for more bioavailable inhibitors of neuronal nitric oxide synthase.
Bioorg.Med.Chem., 20, 2012
2FBZ
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BU of 2fbz by Molmil
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
3UFR
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BU of 3ufr by Molmil
Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(((E)-5-(3-fluorophenyl)pent-4-en-1-yl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-{[(3E)-4-(3-fluorophenyl)but-3-en-1-yl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2011-11-01
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.097 Å)
Cite:Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
3UFT
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BU of 3uft by Molmil
Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(4-(3-chloro-5-fluorophenoxy)butoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({(3R,4R)-4-[4-(3-chloro-5-fluorophenoxy)butoxy]pyrrolidin-3-yl}methyl)-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2011-11-01
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.078 Å)
Cite:Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
3UFW
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BU of 3ufw by Molmil
Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-((5-(6-aminopyridin-2-yl)pentyl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-{[5-(6-aminopyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2011-11-01
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
2G6H
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BU of 2g6h by Molmil
Structure of rat nNOS heme domain (BH4 bound) in the reduced form
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ARGININE, ...
Authors:Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L.
Deposit date:2006-02-24
Release date:2006-08-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural studies of constitutive nitric oxide synthases with diatomic ligands bound.
J.Biol.Inorg.Chem., 11, 2006
2G6J
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BU of 2g6j by Molmil
Structure of rat nNOS (L337N) heme domain (4-aminobiopterin bound) complexed with NO
Descriptor: (1S,2S)-1-(2,4-DIAMINOPTERIDIN-6-YL)PROPANE-1,2-DIOL, ACETATE ION, ARGININE, ...
Authors:Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L.
Deposit date:2006-02-24
Release date:2006-08-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural studies of constitutive nitric oxide synthases with diatomic ligands bound.
J.Biol.Inorg.Chem., 11, 2006
3UFO
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BU of 3ufo by Molmil
Structure of rat nitric oxide synthase heme domain in complex with 6-(((3S,4S)-4-((5-(3-fluorophenyl)pentyl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3S,4S)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2011-11-01
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.169 Å)
Cite:Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
3UFV
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BU of 3ufv by Molmil
Structure of rat nitric oxide synthase heme domain in complex with 4-methyl-6-(((3R,4R)-4-((5-(4-methylpyridin-2-yl)pentyl)oxy)pyrrolidin-3-yl)methyl)pyridin-2-amine
Descriptor: 4-methyl-6-{[(3R,4R)-4-{[5-(4-methylpyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2011-11-01
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.078 Å)
Cite:Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
3UFQ
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BU of 3ufq by Molmil
Structure of rat nitric oxide synthase heme domain in complex with 6-(((3S,4S)-4-(((E)-5-(3-fluorophenyl)pent-4-en-1-yl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3S,4S)-4-{[(4E)-5-(3-fluorophenyl)pent-4-en-1-yl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2011-11-01
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.058 Å)
Cite:Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
3UFU
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BU of 3ufu by Molmil
Structure of rat nitric oxide synthase heme domain in complex with 4-methyl-6-(((3R,4R)-4-((5-(pyridin-2-yl)pentyl)oxy)pyrrolidin-3-yl)methyl)pyridin-2-amine
Descriptor: 4-methyl-6-{[(3R,4R)-4-{[5-(pyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2011-11-01
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.886 Å)
Cite:Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
3TYO
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BU of 3tyo by Molmil
Structure of neuronal nitric oxide synthase heme domain in complex with 6-(((3S,4S)-4-(2-((furan-2-ylmethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3S,4S)-4-{2-[(furan-2-ylmethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2011-09-26
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.927 Å)
Cite:Intramolecular hydrogen bonding: A potential strategy for more bioavailable inhibitors of neuronal nitric oxide synthase.
Bioorg.Med.Chem., 20, 2012
3TYM
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BU of 3tym by Molmil
Structure of neuronal nitric oxide synthase heme domain in complex with 6-(((3S,4S)-4-(2-((2-methoxybenzyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3S,4S)-4-{2-[(2-methoxybenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2011-09-26
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Intramolecular hydrogen bonding: A potential strategy for more bioavailable inhibitors of neuronal nitric oxide synthase.
Bioorg.Med.Chem., 20, 2012
2HX4
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BU of 2hx4 by Molmil
Rat nNOS heme domain complexed with 4-N-(Nw-nitro-L-argininyl)-trans-4-hydroxyamino-L-proline amide
Descriptor: (4R)-4-(HYDROXY{N~5~-[IMINO(NITROAMINO)METHYL]-L-ORNITHYL}AMINO)-L-PROLINAMIDE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Igarashi, J, Li, H, Poulos, T.L.
Deposit date:2006-08-02
Release date:2007-04-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Based Design and Synthesis of N(omega)-Nitro-l-Arginine-Containing Peptidomimetics as Selective Inhibitors of Neuronal Nitric Oxide Synthase. Displacement of the Heme Structural Water.
J.Med.Chem., 50, 2007
2HX2
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BU of 2hx2 by Molmil
Bovine eNOS heme domain complexed with (4S)-N-{4-Amino-5-[(2-aminoethyl)-hydroxyamino]-pentyl}-N'-nitroguanidine
Descriptor: (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Igarashi, J, Li, H, Poulos, T.L.
Deposit date:2006-08-02
Release date:2007-04-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Based Design and Synthesis of N(omega)-Nitro-l-Arginine-Containing Peptidomimetics as Selective Inhibitors of Neuronal Nitric Oxide Synthase. Displacement of the Heme Structural Water.
J.Med.Chem., 50, 2007
2HX3
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BU of 2hx3 by Molmil
Rat nNOS heme domain complexed with (4S)-N-{4-Amino-5-[(2-aminoethyl)-hydroxyamino]-pentyl}-N'-nitroguanidine
Descriptor: (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Igarashi, J, Li, H, Poulos, T.L.
Deposit date:2006-08-02
Release date:2007-04-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Design and Synthesis of N(omega)-Nitro-l-Arginine-Containing Peptidomimetics as Selective Inhibitors of Neuronal Nitric Oxide Synthase. Displacement of the Heme Structural Water.
J.Med.Chem., 50, 2007

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