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9CVM
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BU of 9cvm by Molmil
Structure of rat neuronal nitric oxide synthase R349A mutant bound with 4-methyl-5'-((methylamino)methyl)-[2,3'-bipyridin]-6-amine dihydrochloride
分子名称: (2M)-4-methyl-5'-[(methylamino)methyl][2,3'-bipyridin]-6-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2024-07-29
公開日2025-04-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Truncated pyridinylbenzylamines: Potent, selective, and highly membrane permeable inhibitors of human neuronal nitric oxide synthase.
Bioorg.Med.Chem., 124, 2025
9CVZ
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BU of 9cvz by Molmil
structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 6-(2,3-difluoro-5-(((2-fluoroethyl)amino)methyl)phenyl)-4-methylpyridin-2-amine dihydrochloride
分子名称: (6M)-6-(2,3-difluoro-5-{[(2-fluoroethyl)amino]methyl}phenyl)-4-methylpyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2024-07-29
公開日2025-04-30
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Truncated pyridinylbenzylamines: Potent, selective, and highly membrane permeable inhibitors of human neuronal nitric oxide synthase.
Bioorg.Med.Chem., 124, 2025
9CW6
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BU of 9cw6 by Molmil
Structure of human endothelial nitric oxide synthase heme domain bound with 6-(3-chloro-5-((dimethylamino)methyl)phenyl)-4-methylpyridin-2-amine dihydrochloride
分子名称: (6P)-6-{3-chloro-5-[(dimethylamino)methyl]phenyl}-4-methylpyridin-2-amine, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
著者Li, H, Poulos, T.L.
登録日2024-07-29
公開日2025-04-30
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献Truncated pyridinylbenzylamines: Potent, selective, and highly membrane permeable inhibitors of human neuronal nitric oxide synthase.
Bioorg.Med.Chem., 124, 2025
9C1Z
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BU of 9c1z by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 7-((3-(((4-(6-aminopyridin-2-yl)butyl)amino)methyl)phenoxy)methyl)quinolin-2-amine
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, ...
著者Li, H, Poulos, T.L.
登録日2024-05-30
公開日2025-06-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Tetrahydrobiopterin Displacing Potent Neuronal Nitric Oxide Synthase Inhibitor with Unprecedented Binding Mode: Synthesis, Biochemical Evaluation, and Structural Characterization
To be published
9C1Y
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BU of 9c1y by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-((3-(((4-(6-aminopyridin-2-yl)butyl)amino)methyl)phenoxy)methyl)quinolin-2-amine
分子名称: 7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine, GLYCEROL, Nitric oxide synthase, ...
著者Li, H, Poulos, T.L.
登録日2024-05-29
公開日2025-06-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Tetrahydrobiopterin Displacing Potent Neuronal Nitric Oxide Synthase Inhibitor with Unprecedented Binding Mode: Synthesis, Biochemical Evaluation, and Structural Characterization
To Be Published
6WPL
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BU of 6wpl by Molmil
Structure of Cytochrome P450tcu
分子名称: 5-EXO-HYDROXYCAMPHOR, Cytochrome P-450cam, subunit of camphor 5-monooxygenase system, ...
著者Murarka, V.C, Batabyal, D, Amaya, J.A, Sevrioukova, I.F, Poulos, T.L.
登録日2020-04-27
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.097 Å)
主引用文献Unexpected Differences between Two Closely Related Bacterial P450 Camphor Monooxygenases.
Biochemistry, 59, 2020
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
6XK8
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BU of 6xk8 by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-((3-((((6-aminopyridin-2-yl)methyl)amino)methyl)phenoxy)methyl)quinolin-2-amine
分子名称: 7-{[3-({[(6-aminopyridin-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 (2.25 Å)
主引用文献Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
6XK4
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BU of 6xk4 by Molmil
Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(((3-(6-aminopyridin-2-yl)propyl)amino)methyl)phenoxy)methyl)quinolin-2-amine
分子名称: 7-{[3-({[4-(6-aminopyridin-2-yl)butyl]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 (2.13 Å)
主引用文献Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
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
6WFL
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BU of 6wfl by Molmil
Camphor soaked P450cam D251E
分子名称: 5-EXO-HYDROXYCAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ...
著者Amaya, J.A, Poulos, T.L, Batabyal, D.
登録日2020-04-03
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1.
Biochemistry, 59, 2020
2FKZ
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BU of 2fkz by Molmil
Reduced (All Ferrous) form of the Azotobacter vinelandii bacterioferritin
分子名称: Bacterioferritin, FE (II) ION, MAGNESIUM ION, ...
著者Swartz, L, Kunchinskas, M, Li, H, Poulos, T.L, Lanzilotta, W.N.
登録日2006-01-05
公開日2006-04-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Redox-Dependent Structural Changes in the Azotobacter vinelandii Bacterioferritin: New Insights into the Ferroxidase and Iron Transport Mechanism(,).
Biochemistry, 45, 2006
2FL0
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BU of 2fl0 by Molmil
Oxidized (All ferric) form of the Azotobacter vinelandii bacterioferritin
分子名称: Bacterioferritin, FE (II) ION, MAGNESIUM ION, ...
著者Swartz, L, Kunchinskas, K, Li, H, Poulos, T.L, Lanzilotta, W.N.
登録日2006-01-05
公開日2006-04-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Redox-Dependent Structural Changes in the Azotobacter vinelandii Bacterioferritin: New Insights into the Ferroxidase and Iron Transport Mechanism(,).
Biochemistry, 45, 2006
6WGW
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BU of 6wgw by Molmil
CYP101D1 D259E Hydroxycamphor bound
分子名称: 5-EXO-HYDROXYCAMPHOR, CAMPHOR, Cytochrome P450 101D1, ...
著者Amaya, J.A, Poulos, T.L, Batabyal, D.
登録日2020-04-06
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1.
Biochemistry, 59, 2020
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
4FB2
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BU of 4fb2 by Molmil
Crystal Structure of Substrate-Free P450cin
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, P450cin, ...
著者Madrona, Y, Tripathi, S.M, Li, H, Poulos, T.L.
登録日2012-05-22
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Crystal structures of substrate-free and nitrosyl cytochrome p450cin: implications for o(2) activation.
Biochemistry, 51, 2012
4DY9
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BU of 4dy9 by Molmil
Leishmania major Peroxidase is a Cytochrome c Peroxidase
分子名称: Cytochrome c, PROTOPORPHYRIN IX CONTAINING FE
著者Jasion, V.S, Poulos, T.L.
登録日2012-02-28
公開日2012-03-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.082 Å)
主引用文献Leishmania major Peroxidase Is a Cytochrome c Peroxidase.
Biochemistry, 51, 2012
4FYZ
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BU of 4fyz by Molmil
Crystal Structure of Nitrosyl Cytochrome P450cin
分子名称: 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, DI(HYDROXYETHYL)ETHER, NITRIC OXIDE, ...
著者Madrona, Y, Tripathi, S.M, Li, H, Poulos, T.L.
登録日2012-07-05
公開日2012-07-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Crystal structures of substrate-free and nitrosyl cytochrome p450cin: implications for o(2) activation.
Biochemistry, 51, 2012
4G3R
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BU of 4g3r by Molmil
Crystal Structure of Nitrosyl Cytochrome P450cam
分子名称: CAMPHOR, Camphor 5-monooxygenase, NITRIC OXIDE, ...
著者Madrona, Y, Tripathi, S.M, Li, H, Poulos, T.L.
登録日2012-07-15
公開日2012-08-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of substrate-free and nitrosyl cytochrome p450cin: implications for o(2) activation.
Biochemistry, 51, 2012
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
1ATJ
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BU of 1atj by Molmil
RECOMBINANT HORSERADISH PEROXIDASE C1A
分子名称: CALCIUM ION, PEROXIDASE C1A, PROTOPORPHYRIN IX CONTAINING FE
著者Gajhede, M, Schuller, D.J, Henriksen, A, Smith, A.T, Poulos, T.L.
登録日1997-08-14
公開日1998-02-04
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of horseradish peroxidase C at 2.15 A resolution.
Nat.Struct.Biol., 4, 1997

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