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6XK7
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BU of 6xk7 by Molmil
Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(2-(6-aminopyridin-2-yl)ethyl)phenoxy)methyl)quinolin-2-amine
分子名称: 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine, CHLORIDE ION, GLYCEROL, ...
著者Lewis, M.C, Poulos, T.L.
登録日2020-06-25
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
6XK3
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BU of 6xk3 by Molmil
Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(((pyridin-2-ylmethyl)amino)methyl)phenoxy)methyl)quinolin-2-amine
分子名称: 7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Lewis, M.C, Poulos, T.L.
登録日2020-06-25
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
6XK6
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BU of 6xk6 by Molmil
Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(((2-(pyridin-2-yl)ethyl)amino)methyl)phenoxy)methyl)quinolin-2-amine
分子名称: 7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, GLYCEROL, ...
著者Lewis, M.C, Poulos, T.L.
登録日2020-06-25
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
6XK5
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BU of 6xk5 by Molmil
Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(((4-(6-aminopyridin-2-yl)butyl)amino)methyl)phenoxy)methyl)quinolin-2-amine
分子名称: 7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, GLYCEROL, ...
著者Lewis, M.C, Poulos, T.L.
登録日2020-06-25
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
6XMC
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BU of 6xmc by Molmil
Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(2-(6-aminopyridin-2-yl)ethyl)phenoxy)methyl)quinolin-2-amine
分子名称: 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine, CHLORIDE ION, GLYCEROL, ...
著者Lewis, M.C, Poulos, T.L.
登録日2020-06-30
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
3EBF
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BU of 3ebf by Molmil
Structure of inhibited murine iNOS oxygenase domain
分子名称: (3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-27
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3E7M
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Structure of murine iNOS oxygenase domain with inhibitor AR-C95791
分子名称: 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-18
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3E7S
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BU of 3e7s by Molmil
Structure of bovine eNOS oxygenase domain with inhibitor AR-C95791
分子名称: ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, HEME C, Nitric oxide synthase, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-18
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3EAH
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BU of 3eah by Molmil
Structure of inhibited human eNOS oxygenase domain
分子名称: (3S,5E)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-25
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3EBD
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BU of 3ebd by Molmil
Structure of inhibited murine iNOS oxygenase domain
分子名称: (2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-27
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3EAI
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BU of 3eai by Molmil
Structure of inhibited murine iNOS oxygenase domain
分子名称: 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-25
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3E7I
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BU of 3e7i by Molmil
Structure of murine inos oxygenase domain with inhibitor AR-C94864
分子名称: (2R)-5-FLUORO-2-(2-THIENYL)-1,2-DIHYDROQUINAZOLIN-4-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-18
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3E7T
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BU of 3e7t by Molmil
Structure of murine iNOS oxygenase domain with inhibitor AR-C102222
分子名称: 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE, 7,8-DIHYDROBIOPTERIN, Nitric oxide synthase, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-18
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
4FW0
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BU of 4fw0 by Molmil
Structure of rat nNOS heme domain in complex with N(delta)-methyl- N(omega)-hydroxy-L-arginine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ...
著者Li, H, Poulos, T.L.
登録日2012-06-29
公開日2013-05-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Methylated N(omega)-Hydroxy-l-arginine Analogues as Mechanistic Probes for the Second Step of the Nitric Oxide Synthase-Catalyzed Reaction
Biochemistry, 52, 2013
4FVW
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BU of 4fvw by Molmil
Structure of rat nNOS heme domain in complex with N(omega)-methoxy-L-arginine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ...
著者Li, H, Poulos, T.L.
登録日2012-06-29
公開日2013-05-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Methylated N(omega)-Hydroxy-l-arginine Analogues as Mechanistic Probes for the Second Step of the Nitric Oxide Synthase-Catalyzed Reaction
Biochemistry, 52, 2013
4FVY
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BU of 4fvy by Molmil
Structure of rat nNOS heme domain in complex with N(omega)-hydroxy- N(omega)-methyl-L-arginine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ...
著者Li, H, Poulos, T.L.
登録日2012-06-29
公開日2013-05-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Methylated N(omega)-Hydroxy-l-arginine Analogues as Mechanistic Probes for the Second Step of the Nitric Oxide Synthase-Catalyzed Reaction
Biochemistry, 52, 2013
2AN0
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BU of 2an0 by Molmil
Crystal Structure of the P332G mutant of the Bacillus subtilis NOS
分子名称: Nitric Oxide Synthase, PROTOPORPHYRIN IX CONTAINING FE
著者Pant, K, Crane, B.R.
登録日2005-08-10
公開日2006-08-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of a loose dimer: an intermediate in nitric oxide synthase assembly
J.Mol.Biol., 352, 2005
2LL7
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BU of 2ll7 by Molmil
Solution NMR structure of CaM bound to the eNOS CaM binding domain peptide
分子名称: Calmodulin, Nitric oxide synthase, endothelial
著者Piazza, M, Futrega, K, Spratt, D.E, Guillemette, J.G, Dieckmann, T.
登録日2011-10-29
公開日2012-05-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure and Dynamics of Calmodulin (CaM) Bound to Nitric Oxide Synthase Peptides: Effects of a Phosphomimetic CaM Mutation.
Biochemistry, 51, 2012
1DF1
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BU of 1df1 by Molmil
MURINE INOSOXY DIMER WITH ISOTHIOUREA BOUND IN THE ACTIVE SITE
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYLISOTHIOUREA, NITRIC OXIDE SYNTHASE, ...
著者Crane, B.R, Rosenfeld, R.J, Arvai, A.S, Ghosh, D.K, Ghosh, S, Tainer, J.A, Stuehr, D.J, Getzoff, E.D.
登録日1999-11-16
公開日1999-12-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献N-terminal domain swapping and metal ion binding in nitric oxide synthase dimerization.
EMBO J., 18, 1999
4UX6
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BU of 4ux6 by Molmil
The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, INDUCIBLE, ...
著者Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T, 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.
登録日2014-08-19
公開日2014-10-08
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
Bioorg.Med.Chem.Lett., 21, 2011
4CX7
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BU of 4cx7 by Molmil
Structure of human iNOS heme domain in complex with (R)-6-(3-AMINO-2-(5-(2-(6-AMINO-4- METHYLPYRIDIN-2-YL)ETHYL)PYRIDIN-3-YL)PROPYL)-4- METHYLPYRIDIN-2-AMINE
分子名称: (R)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2014-04-03
公開日2014-08-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
5ADF
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BU of 5adf by Molmil
Structure of human nNOS R354A G357D mutant heme domain in complex with 7-(((3-((Dimethylamino)methyl)phenyl)amino)methyl)quinolin-2- amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[[3-[(dimethylamino)methyl]phenyl]amino]methyl]quinolin-2-amine, NITRIC OXIDE SYNTHASE, ...
著者Li, H, Poulos, T.L.
登録日2015-08-20
公開日2015-10-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.966 Å)
主引用文献Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
3NW2
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BU of 3nw2 by Molmil
Novel nanomolar Imidazopyridines as selective Nitric Oxide Synthase (iNOS) inhibitors: SAR and structural insights
分子名称: 2-[2-(4-methoxypyridin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
著者Graedler, U, Fuchss, T, Ulrich, W.R, Boer, R, Strub, A, Hesslinger, C, Anezo, C, Diederichs, K, Zaliani, A.
登録日2010-07-09
公開日2011-06-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Novel nanomolar imidazo[4,5-b]pyridines as selective nitric oxide synthase (iNOS) inhibitors: SAR and structural insights
Bioorg.Med.Chem.Lett., 21, 2011
4JS9
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BU of 4js9 by Molmil
Structural Characterization of Inducible Nitric Oxide Synthase Substituted With Mesoheme
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, Mesoheme, Nitric oxide synthase, ...
著者Hannibal, L, Page, R.C, Bolisetty, K, Yu, Z, Misra, S, Stuehr, D.J.
登録日2013-03-22
公開日2014-04-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.784 Å)
主引用文献Kinetic and Structural Characterization of Inducible Nitric Oxide Synthase Substituted With Mesoheme
To be Published
3GOF
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BU of 3gof by Molmil
Calmodulin bound to peptide from macrophage nitric oxide synthase
分子名称: CALCIUM ION, Calmodulin, Nitric oxide synthase, ...
著者Ng, H.L, Greenstein, A, Marletta, M, Wand, A.J, Alber, T.
登録日2009-03-19
公開日2010-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural diversity in calmodulin recognition of nitric oxide synthases
To be Published

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