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7TS9
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BU of 7ts9 by Molmil
Structure of rat neuronal nitric oxide synthase R349A heme domain in complex with 6-(3-(dimethylamino)propyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(dimethylamino)propyl]-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2022-01-31
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8526 Å)
主引用文献2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TSB
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Structure of rat neuronal nitric oxide synthase R349A heme domain in complex with 4-methyl-6-(3-(methylamino)prop-1-yn-1-yl)pyridin-2-amine
分子名称: 4-methyl-6-[3-(methylamino)prop-1-yn-1-yl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2022-01-31
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8177 Å)
主引用文献2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TSH
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Structure of human endothelial nitric oxide synthase heme domain in complex with 4-methyl-6-(3-(methylamino)propyl)pyridin-2-amine
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-methyl-6-[3-(methylamino)propyl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
著者Li, H, Poulos, T.L.
登録日2022-01-31
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.145 Å)
主引用文献2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
1SDQ
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BU of 1sdq by Molmil
Structure of reduced-NO adduct of mesopone cytochrome c peroxidase
分子名称: Cytochrome c peroxidase, mitochondrial, FE-(4-MESOPORPHYRINONE)-R-ISOMER, ...
著者Bhaskar, B, Immoos, C.E, Sulc, F, Cohem, M.S, Farmer, P.J, Poulos, T.L.
登録日2004-02-13
公開日2005-07-12
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Crystal structures of resting (Fe3+), reduced (Fe2+) and NO-bound states of mesopone cytochrome c peroxidase (MpCcP) (R-isomer)
To be Published
1D0C
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BU of 1d0c by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 3-BROMO-7-NITROINDAZOLE (H4B FREE)
分子名称: 3-BROMO-7-NITROINDAZOLE, ACETATE ION, BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN, ...
著者Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L.
登録日1999-09-09
公開日2001-11-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of nitric oxide synthase bound to nitro indazole reveals a novel inactivation mechanism.
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
1ED4
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BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH IPITU (H4B FREE)
分子名称: ACETATE ION, CACODYLIC ACID, GLYCEROL, ...
著者Raman, C.S, Li, H, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L.
登録日2000-01-26
公開日2000-10-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Mapping the active site polarity in structures of endothelial nitric oxide synthase heme domain complexed with isothioureas.
J.Inorg.Biochem., 81, 2000
1J77
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BU of 1j77 by Molmil
Crystal Structure of Gram-negative Bacterial Heme Oxygenase Complexed with Heme
分子名称: HemO, PROTOPORPHYRIN IX CONTAINING FE
著者Schuller, D.J, Zhu, W, Stojiljkovic, I, Wilks, A, Poulos, T.L.
登録日2001-05-15
公開日2001-05-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of heme oxygenase from the gram-negative pathogen Neisseria meningitidis and a comparison with mammalian heme oxygenase-1.
Biochemistry, 40, 2001
1ED5
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BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH NNA(H4B FREE)
分子名称: ACETATE ION, CACODYLIC ACID, GLYCEROL, ...
著者Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L.
登録日2000-01-26
公開日2001-01-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of nitric oxide synthase bound to nitro indazole reveals a novel inactivation mechanism.
Biochemistry, 40, 2001
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
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
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
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
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
1JDR
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BU of 1jdr by Molmil
Crystal Structure of a Proximal Domain Potassium Binding Variant of Cytochrome c Peroxidase
分子名称: Cytochrome c Peroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
著者Bonagura, C.A, Sundaramoorthy, M, Bhaskar, B, Poulos, T.L.
登録日2001-06-14
公開日2001-06-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The effects of an engineered cation site on the structure, activity, and EPR properties of cytochrome c peroxidase.
Biochemistry, 38, 1999
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
1FAH
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BU of 1fah by Molmil
STRUCTURE OF CYTOCHROME P450
分子名称: CYTOCHROME P450 BM-3, PROTOPORPHYRIN IX CONTAINING FE
著者Li, H.Y, Poulos, T.L.
登録日1996-08-01
公開日1997-02-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The role of Thr268 in oxygen activation of cytochrome P450BM-3.
Biochemistry, 34, 1995
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
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
1D1W
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BU of 1d1w by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 2-AMINOTHIAZOLINE (H4B BOUND)
分子名称: 2-AMINOTHIAZOLINE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Raman, C.S, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L.
登録日1999-09-21
公開日2000-10-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mapping the active site polarity in structures of endothelial nitric oxide synthase heme domain complexed with isothioureas.
J.Inorg.Biochem., 81, 2000
1CPO
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BU of 1cpo by Molmil
CHLOROPEROXIDASE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLOROPEROXIDASE, ...
著者Sundaramoorthy, M, Poulos, T.L.
登録日1996-02-10
公開日1997-02-12
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of chloroperoxidase: a heme peroxidase--cytochrome P450 functional hybrid.
Structure, 3, 1995
4FMX
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BU of 4fmx by Molmil
Crystal Structure of Substrate-Bound P450cin
分子名称: 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, GLYCEROL, P450cin, ...
著者Madrona, Y, Tripathi, S.M, Huiying, L, Poulos, T.L.
登録日2012-06-18
公開日2012-07-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.554 Å)
主引用文献Crystal structures of substrate-free and nitrosyl cytochrome p450cin: implications for o(2) activation.
Biochemistry, 51, 2012

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