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4FVX
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BU of 4fvx by Molmil
Structure of rat nNOS heme domain in complex with N(omega)-ethoxy-L-arginine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, brain, ...
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 (2 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
1FOJ
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BU of 1foj by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 7-NITROINDAZOLE-2-CARBOXAMIDINE (H4B PRESENT)
分子名称: 7-NITROINDAZOLE, 7-NITROINDAZOLE-2-CARBOXAMIDINE, ACETATE ION, ...
著者Raman, C.S, Li, H, Martasek, P, Masters, B.S, Poulos, T.L.
登録日2000-08-28
公開日2001-11-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of nitric oxide synthase bound to nitro indazole reveals a novel inactivation mechanism
Biochemistry, 40, 2001
1FOO
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BU of 1foo by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH L-ARG AND NO(H4B-FREE)
分子名称: ACETATE ION, ARGININE, CACODYLATE ION, ...
著者Raman, C.S, Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L.
登録日2000-08-28
公開日2001-07-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallographic studies on endothelial nitric oxide synthase complexed with nitric oxide and mechanism-based inhibitors.
Biochemistry, 40, 2001
2NSE
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BU of 2nse by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE SUBSTRATE COMPLEX
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, CACODYLATE ION, ...
著者Raman, C.S, Li, H, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L.
登録日1998-08-13
公開日1999-05-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Crystal structure of constitutive endothelial nitric oxide synthase: a paradigm for pterin function involving a novel metal center.
Cell(Cambridge,Mass.), 95, 1998
2ORS
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BU of 2ors by Molmil
Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-6-methyl-pyrimidine Complex
分子名称: 1,2-ETHANEDIOL, 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE, Nitric oxide synthase, ...
著者Adler, M, Whitlow, M.
登録日2007-02-04
公開日2007-04-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
4GQE
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BU of 4gqe by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (5E)-5-[(N-tert-butoxycarbamimidoyl)imino]-L-norvaline
分子名称: (5E)-5-[(N-tert-butoxycarbamimidoyl)imino]-L-norvaline, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2012-08-22
公開日2013-05-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 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
1I83
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BU of 1i83 by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH N1,N14-BIS((S-METHYL)ISOTHIOUREIDO)TETRADECANE (H4B FREE)
分子名称: ACETATE ION, GLYCEROL, N1,N14-BIS((S-METHYL)ISOTHIOUREIDO)TETRADECANE, ...
著者Raman, C.S, Li, H, Martasek, P, Babu, B.R, Griffith, O.W, Masters, B.S.S, Poulos, T.L.
登録日2001-03-12
公開日2001-08-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
1FOL
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BU of 1fol by Molmil
REDUCED BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH L-ARG(H4B-FREE)
分子名称: ACETATE ION, ARGININE, CACODYLATE ION, ...
著者Raman, C.S, Li, H, Martasek, P, Masters, B.S, Poulos, T.L.
登録日2000-08-28
公開日2001-07-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallographic studies on endothelial nitric oxide synthase complexed with nitric oxide and mechanism-based inhibitors
Biochemistry, 40, 2001
1FOI
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BU of 1foi by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 1400W(H4B-FREE)
分子名称: ACETATE ION, CACODYLATE ION, GLYCEROL, ...
著者Raman, C.S, Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L.
登録日2000-08-28
公開日2001-07-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystallographic studies on endothelial nitric oxide synthase complexed with nitric oxide and mechanism-based inhibitors.
Biochemistry, 40, 2001
2ORQ
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BU of 2orq by Molmil
Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(imidazol-1-yl)phenol and piperonylamine Complex
分子名称: 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE, 4-(1H-IMIDAZOL-1-YL)PHENOL, Nitric oxide synthase, ...
著者Adler, M, Whitlow, M.
登録日2007-02-04
公開日2007-04-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
1FOP
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BU of 1fop by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH L-ARG AND NO(H4B-BOUND)
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ARGININE, ...
著者Raman, C.S, Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L.
登録日2000-08-28
公開日2001-07-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallographic studies on endothelial nitric oxide synthase complexed with nitric oxide and mechanism-based inhibitors.
Biochemistry, 40, 2001
4EUX
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BU of 4eux by Molmil
Structure of neuronal nitric oxide synthase heme domain in complex with 6-(5-(((3R,4R)-4-((6-amino-4-methylpyridin-2-yl)methyl)pyrrolidin-3-yl)oxy)pentyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[5-({(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)pentyl]-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2012-04-25
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
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
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
4FVZ
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BU of 4fvz by Molmil
Structure of rat nNOS heme domain in complex with N(omega)-methyl- N(omega)-methoxy-L-arginine
分子名称: (5E)-5-[(N-methoxy-N-methylcarbamimidoyl)imino]-L-norvaline, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
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 (1.99 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
1K2T
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BU of 1k2t by Molmil
Structure of rat brain nNOS heme domain complexed with S-ethyl-N-phenyl-isothiourea
分子名称: 2-ETHYL-1-PHENYL-ISOTHIOUREA, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L, Raman, C.S.
登録日2001-09-28
公開日2003-03-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of rat brain nNOS heme domain
To be Published
3E65
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BU of 3e65 by Molmil
Murine INOS dimer with HEME, pterin and inhibitor AR-C120011
分子名称: 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
著者Rosenfeld, R.J, Garcin, E.D, Getzoff, E.D.
登録日2008-08-14
公開日2008-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3E68
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BU of 3e68 by Molmil
Structure of murine INOS oxygenase domain with inhibitor AR-C130232
分子名称: 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, N-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-4-CYANOBENZAMIDE, ...
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, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-14
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
3E7M
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BU of 3e7m by Molmil
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
3EJ8
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BU of 3ej8 by Molmil
Structure of double mutant of human iNOS oxygenase domain with bound immidazole
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, HEME C, IMIDAZOLE, ...
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2008-09-17
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.55 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
3E6O
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BU of 3e6o by Molmil
Structure of murine INOS oxygenase domain with inhibitor AR-C124355
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE, 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, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-15
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
3E7G
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BU of 3e7g by Molmil
Structure of human INOSOX with inhibitor AR-C95791
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, 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, Stueh, 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 (2.2 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
6XCX
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BU of 6xcx by Molmil
Nitric Oxide Synthase from Bacillus subtilis in complex with N2-((3-((2-aminoquinolin-7-yl)methoxy)phenoxy)methyl)pyridine-2,6-diamine
分子名称: 7-{[3-(2-{[(6-aminopyridin-2-yl)methyl]amino}ethoxy)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Lewis, M.C, Poulos, T.L.
登録日2020-06-09
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2520268 Å)
主引用文献Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published

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件を2024-07-24に公開中

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