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3JWV
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BU of 3jwv by Molmil
Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with N1-{(3'S,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3S,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine, ...
Authors:Delker, S.L, Li, H, Poulos, T.L.
Deposit date:2009-09-18
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
8NSE
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BU of 8nse by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, NNA COMPLEX
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, CACODYLIC ACID, GLYCEROL, ...
Authors:Raman, C.S, Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L.
Deposit date:1999-01-14
Release date:2001-11-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of nitric oxide synthase bound to nitro indazole reveals a novel inactivation mechanism.
Biochemistry, 40, 2001
2Y37
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BU of 2y37 by Molmil
The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)
Descriptor: 2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
Authors:Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T.N, Boughton-Smith, N, Connolly, S, Cook, T.R, Cooper, A, Cooper, S.L, Cox, D, Dixon, J, Gensmantel, N, Hamley, P.J, Harrison, R, Hartopp, P, Kack, H, Luker, T, Mete, A, Millichip, I, Nicholls, D.J, Pimm, A.D, St-Gallay, S.A, Wallace, A.V.
Deposit date:2010-12-19
Release date:2011-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
Bioorg.Med.Chem.Lett., 21, 2011
5NSE
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BU of 5nse by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, H4B-FREE, HYDROXY-ARG COMPLEX
Descriptor: ACETATE ION, CACODYLIC ACID, GLYCEROL, ...
Authors:Raman, C.S, Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L.
Deposit date:1999-01-13
Release date:2002-05-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of the Heme Domain of Bovine Endothelial Nitric Oxide Synthase Complexed with Arginine Analogues
To be Published
9NSE
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BU of 9nse by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, ETHYL-ISOSELENOUREA COMPLEX
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLIC ACID, ...
Authors:Li, H, Raman, C.S, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L.
Deposit date:1999-01-13
Release date:2000-10-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Mapping the active site polarity in structures of endothelial nitric oxide synthase heme domain complexed with isothioureas.
J.Inorg.Biochem., 81, 2000
5FVW
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BU of 5fvw by Molmil
Structure of human nNOS R354A G357D mutant heme domain in complex with 4-methyl-6-(2-(5-(3-(methylamino)propyl)pyridin-3-yl)ethyl) pyridin-2-amine
Descriptor: 4-METHYL-6-(2-(5-(3-(METHYLAMINO)PROPYL)PYRIDIN-3-YL)ETHYL)PYRIDIN-2-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2016-02-10
Release date:2016-04-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker.
J.Med.Chem., 59, 2016
1ZZQ
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BU of 1zzq by Molmil
Rat nNOS D597N mutant with L-N(omega)-Nitroarginine-(4R)-amino-L-proline amide bound
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, D-MANNITOL, ...
Authors:Li, H, Flinspach, M.L, Igarashi, J, Jamal, J, Yang, W, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L.
Deposit date:2005-06-14
Release date:2005-12-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases.
Biochemistry, 44, 2005
2AN2
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BU of 2an2 by Molmil
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
7M56
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BU of 7m56 by Molmil
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
7NSE
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BU of 7nse by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, H4B-FREE, ADMA COMPLEX
Descriptor: ACETATE ION, CACODYLIC ACID, GLYCEROL, ...
Authors:Raman, C.S, Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L.
Deposit date:1999-01-13
Release date:2002-05-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structures of the Heme Domain of Bovine Endothelial Nitric Oxide Synthase Complexed with Arginine Analogues
To be Published
3RQJ
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BU of 3rqj by Molmil
Structure of the neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((1S,2R)-2-(3-Fluorophenyl)cyclopropylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Delker, S.L, Poulos, T.L.
Deposit date:2011-04-28
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Cyclopropyl- and methyl-containing inhibitors of neuronal nitric oxide synthase.
Bioorg.Med.Chem., 21, 2013
4V3W
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BU of 4v3w by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(3- fluorophenethyl)ethan-1-amine
Descriptor: 2-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-10-20
Release date:2014-12-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
3RQO
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BU of 3rqo by Molmil
Structure of the endothelial nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((1S,2R/1R,2S)-2-(3-Clorophenyl)cyclopropylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Delker, S.L, Poulos, T.L.
Deposit date:2011-04-28
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Cyclopropyl- and methyl-containing inhibitors of neuronal nitric oxide synthase.
Bioorg.Med.Chem., 21, 2013
3RQN
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BU of 3rqn by Molmil
Structure of the neuronal nitric oxide synthase heme domain in complex with 6-(((3*R*,4*R*)-4-(2-(((*S* )-1-(3-fluorophenyl)propan-2-yl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[(2S)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Delker, S.L, Poulos, T.L.
Deposit date:2011-04-28
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Cyclopropyl- and methyl-containing inhibitors of neuronal nitric oxide synthase.
Bioorg.Med.Chem., 21, 2013
4UQR
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BU of 4uqr by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N-omega-Nitro-L-Arginine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2014-06-24
Release date:2014-09-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Identification of Redox Partners and Development of a Novel Chimeric Bacterial Nitric Oxide Synthase for Structure Activity Analyses.
J.Biol.Chem., 289, 2014
4V3X
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BU of 4v3x by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- fluorophenyl)propan-1-amine
Descriptor: 3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-10-20
Release date:2014-12-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
6CIF
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BU of 6cif by Molmil
Structure of the human endothelial nitric oxide synthase heme domain in complex with N-(1-(Piperidin-4-yl)indolin-5-yl)thiophene-2-carboximidamide
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, ...
Authors:Chreifi, G, Li, H, Poulos, T.L.
Deposit date:2018-02-23
Release date:2018-10-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for Isoform Selective Nitric Oxide Synthase Inhibition by Thiophene-2-carboximidamides.
Biochemistry, 57, 2018
6CIE
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BU of 6cie by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with N-(1-(2-(Ethyl(methyl)amino)ethyl)-1,2,3,4-tetrahydroquino-lin-6-yl)thiophene-2-carboximidamide
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, ...
Authors:Chreifi, G, Li, H, Poulos, T.L.
Deposit date:2018-02-23
Release date:2018-10-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Basis for Isoform Selective Nitric Oxide Synthase Inhibition by Thiophene-2-carboximidamides.
Biochemistry, 57, 2018
6CIC
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BU of 6cic by Molmil
Structure of the human nitric oxide synthase R354A/G357D mutant heme domain in complex with N-(1-(2-(Ethyl(methyl)amino)ethyl)-1,2,3,4-tetrahydroquino-lin-6-yl)thiophene-2-carboximidamide
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, N-(1-{2-[ethyl(methyl)amino]ethyl}-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboximidamide, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2018-02-23
Release date:2018-10-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Structural Basis for Isoform Selective Nitric Oxide Synthase Inhibition by Thiophene-2-carboximidamides.
Biochemistry, 57, 2018
7S3Y
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BU of 7s3y by Molmil
Structure ofrat neuronal nitric oxide synthase heme domain in complex with 7-((3-(2-(6-aminopyridin-2-yl)ethyl)phenoxy)methyl)quinolin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2021-09-08
Release date:2022-09-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Selective anti-MRSA inhibitors targeting bacterial nitric oxide synthase
To be published
7S3X
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BU of 7s3x by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-(((pyridin-2-ylmethyl)amino)methyl)phenoxy)methyl)quinolin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenyl]methoxy}-5,8-dihydroquinolin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2021-09-08
Release date:2022-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Selective anti-MRSA inhibitors targetting bacterial nitric oxide synthase
To be published
7S3Z
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BU of 7s3z by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with N2-((3-((2-aminoquinolin-7-yl)methoxy)phenoxy)methyl)pyridine-2,6-diamine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{[3-(2-{[(6-aminopyridin-2-yl)methyl]amino}ethoxy)phenoxy]methyl}quinolin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2021-09-08
Release date:2022-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7297 Å)
Cite:Selective anti-MRSA inhibitors targeting bacterial nitric oxide synthase
To be published
7S40
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BU of 7s40 by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-((((6-aminopyridin-2-yl)methyl)amino)methyl)phenoxy)methyl)quinolin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2021-09-08
Release date:2022-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7969 Å)
Cite:Selective anti-MRSA inhitors targeting bacterial nitric oxide synthase
To be published
6CID
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BU of 6cid by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with N-(1-(Piperidin-4-yl)indolin-5-yl)thiophene-2-carboximidamide
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, N-[1-(piperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2018-02-23
Release date:2018-10-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis for Isoform Selective Nitric Oxide Synthase Inhibition by Thiophene-2-carboximidamides.
Biochemistry, 57, 2018
3B3P
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BU of 3b3p by Molmil
Structure of neuronal nos heme domain in complex with a inhibitor (+-)-n1-{cis-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-n2-(4'-chlorobenzyl)ethane-1,2-diamine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine, ...
Authors:Igarashi, J, Li, H, Poulos, T.L.
Deposit date:2007-10-22
Release date:2008-11-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structures of constitutive nitric oxide synthases in complex with de novo designed inhibitors.
J.Med.Chem., 52, 2009

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數據於2024-09-18公開中

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