1I83
 
 | | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH N1,N14-BIS((S-METHYL)ISOTHIOUREIDO)TETRADECANE (H4B FREE) | | Descriptor: | ACETATE ION, GLYCEROL, N1,N14-BIS((S-METHYL)ISOTHIOUREIDO)TETRADECANE, ... | | Authors: | Raman, C.S, Li, H, Martasek, P, Babu, B.R, Griffith, O.W, Masters, B.S.S, Poulos, T.L. | | Deposit date: | 2001-03-12 | | Release date: | 2001-08-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Implications for isoform-selective inhibitor design derived from the binding mode of bulky isothioureas to the heme domain of endothelial nitric-oxide synthase.
J.Biol.Chem., 276, 2001
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1VAG
 | | Neuronal nitric oxide synthase oxygenase domain complexed with the inhibitor AR-R17477 | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, N-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE, Nitric-oxide synthase, ... | | Authors: | Fedorov, R, Vasan, R, Ghosh, D.K, Schlichting, I. | | Deposit date: | 2004-02-16 | | Release date: | 2004-06-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of nitric oxide synthase isoforms complexed with the inhibitor AR-R17477 suggest a rational basis for specificity and inhibitor design
Proc.Natl.Acad.Sci.USA, 101, 2004
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1VAF
 | | Inducible nitric oxide synthase oxygenase domain complexed with the inhibitor AR-R17477 | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, N-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE, Nitric oxide synthase, ... | | Authors: | Fedorov, R, Vasan, R, Ghosh, D.K, Schlichting, I. | | Deposit date: | 2004-02-16 | | Release date: | 2004-06-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structures of nitric oxide synthase isoforms complexed with the inhibitor AR-R17477 suggest a rational basis for specificity and inhibitor design
Proc.Natl.Acad.Sci.USA, 101, 2004
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1K2T
 | | Structure of rat brain nNOS heme domain complexed with S-ethyl-N-phenyl-isothiourea | | Descriptor: | 2-ETHYL-1-PHENYL-ISOTHIOUREA, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L, Raman, C.S. | | Deposit date: | 2001-09-28 | | Release date: | 2003-03-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of rat brain nNOS heme domain
To be Published
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1JWJ
 | | Murine Inducible Nitric Oxide Synthase Oxygenase Dimer (Delta 65) with W457F Mutation at Tetrahydrobiopterin Binding Site | | Descriptor: | 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... | | Authors: | Aoyagi, M, Arvai, A.S, Ghosh, S, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2001-09-04 | | Release date: | 2001-10-31 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structures of tetrahydrobiopterin binding-site mutants of inducible nitric oxide synthase oxygenase dimer and implicated roles of Trp457.
Biochemistry, 40, 2001
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1K2R
 | | Structure of rat brain nNOS heme domain complexed with NG-nitro-L-arginine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-OMEGA-NITRO-L-ARGININE, ... | | Authors: | Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L, Raman, C.S. | | Deposit date: | 2001-09-28 | | Release date: | 2003-03-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure of rat brain nNOS heme domain
To be Published
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1K2S
 | | Structure of rat brain nNOS heme domain complexed with NG-allyl-L-arginine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 5-N-ALLYL-ARGININE, ACETATE ION, ... | | Authors: | Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L, Raman, C.S. | | Deposit date: | 2001-09-28 | | Release date: | 2003-03-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure of rat brain nNOS heme domain
To be Published
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1K2U
 | | Structure of rat brain nNOS heme domain complexed with S-ethyl-N-[4-(trifluoromethyl)phenyl] isothiourea | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L, Raman, C.S. | | Deposit date: | 2001-09-28 | | Release date: | 2003-03-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of rat brain nNOS heme domain
To be Published
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1JWK
 | | Murine Inducible Nitric Oxide Synthase Oxygenase Dimer (Delta 65) with W457A Mutation at Tetrahydrobiopterin Binding Site | | Descriptor: | 1,2-ETHANEDIOL, 7,8-DIHYDROBIOPTERIN, GLYCEROL, ... | | Authors: | Aoyagi, M, Arvai, A.S, Ghosh, S, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2001-09-04 | | Release date: | 2001-10-31 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of tetrahydrobiopterin binding-site mutants of inducible nitric oxide synthase oxygenase dimer and implicated roles of Trp457.
Biochemistry, 40, 2001
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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
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2FLQ
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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
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2FC2
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2G6L
 | | 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
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2G6N
 | | 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
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2G6O
 | | 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
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2G6J
 | | 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
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2G6H
 | | 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
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2G6K
 | | 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
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2G6M
 | | 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
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2G6I
 | | 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
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2HX4
 | | 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
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2HX2
 | | 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
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2HX3
 | | 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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6AUZ
 | | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-Fluoro-5-(3-(methylamino)propyl)phenethyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine, Nitric oxide synthase, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-09-01 | | Release date: | 2018-07-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
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