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3ER9
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BU of 3er9 by Molmil
Crystal structure of the heterodimeric vaccinia virus mRNA polyadenylate polymerase complex with UU and 3'-deoxy ATP
分子名称: 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, 5'-R(UP*U)-3', CALCIUM ION, ...
著者Li, C, Li, H, Zhou, S, Poulos, T.L, Gershon, P.D.
登録日2008-10-01
公開日2009-06-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Polymerase Translocation with Respect to Single-Stranded Nucleic Acid: Looping or Wrapping of Primer around a Poly(A) Polymerase
Structure, 17, 2009
3ER8
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BU of 3er8 by Molmil
Crystal structure of the heterodimeric vaccinia virus mRNA polyadenylate polymerase complex with two fragments of RNA
分子名称: Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase, Poly(A) polymerase catalytic subunit, RNA/DNA chimera 5'-D(CP*CP*)R(UP*UP*)D(C)-3', ...
著者Li, C, Li, H, Zhou, S, Poulos, T.L, Gershon, P.D.
登録日2008-10-01
公開日2009-06-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Polymerase Translocation with Respect to Single-Stranded Nucleic Acid: Looping or Wrapping of Primer around a Poly(A) Polymerase
Structure, 17, 2009
3DQS
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BU of 3dqs by Molmil
Structure of endothelial 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
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ...
著者Igarashi, J, Li, H, Poulos, T.L.
登録日2008-07-09
公開日2009-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal structures of constitutive nitric oxide synthases in complex with de novo designed inhibitors.
J.Med.Chem., 52, 2009
3DQR
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BU of 3dqr by Molmil
Structure of neuronal NOS D597N/M336V mutant heme domain in complex with a inhibitor (+-)-N1-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-yl}ethane-1,2-diamine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine, ...
著者Igarashi, J, Li, H, Poulos, T.L.
登録日2008-07-09
公開日2009-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of constitutive nitric oxide synthases in complex with de novo designed inhibitors.
J.Med.Chem., 52, 2009
3DQT
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BU of 3dqt by Molmil
Structure of endothelial NOS heme domain in complex with a inhibitor (+-)-N1-{trans-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-chlorobenzyl)ethane-1,2-diamine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ...
著者Igarashi, J, Li, H, Poulos, T.L.
登録日2008-07-09
公開日2009-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Crystal structures of constitutive nitric oxide synthases in complex with de novo designed inhibitors.
J.Med.Chem., 52, 2009
9CV8
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BU of 9cv8 by Molmil
Crystal Structure of Cytochrome P450 NysL bound to nystatin
分子名称: NysL, Nystatin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Murarka, V.C, Poulos, T.L.
登録日2024-07-28
公開日2025-01-29
最終更新日2025-02-26
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of cytochrome P450 NysL and the structural basis for stereo- and regio-selective oxidation of antifungal macrolides.
J.Biol.Chem., 301, 2025
9CVQ
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BU of 9cvq by Molmil
Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-(5-((3,3-difluoroazetidin-1-yl)methyl)-2,3-difluorophenyl)-4-methylpyridin-2-amine dihydrochloride
分子名称: (6M)-6-{5-[(3,3-difluoroazetidin-1-yl)methyl]-2,3-difluorophenyl}-4-methylpyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
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 (1.95 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
9CW5
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BU of 9cw5 by Molmil
Structure of human endothelial nitric oxide synthase heme domain bound with 4-methyl-6-(3-((methylamino)methyl)-5-(trifluoromethyl)phenyl)pyridin-2-amine dihydrochloride
分子名称: (6P)-4-methyl-6-{3-[(methylamino)methyl]-5-(trifluoromethyl)phenyl}pyridin-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 (1.88 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
9CW1
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BU of 9cw1 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 6-(2,3-difluoro-5-(2-(methylamino)ethyl)phenyl)-4-methylpyridin-2-amine dihydrochloride
分子名称: (6M)-6-{2,3-difluoro-5-[2-(methylamino)ethyl]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 (1.9 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
9CVJ
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BU of 9cvj by Molmil
Structure of rat nNOS R349A mutant heme domain bound with 4-methyl-6-(3-((methylamino)methyl)-5-(trifluoromethyl)phenyl)pyridin-2-amine dihydrochloride
分子名称: (6P)-4-methyl-6-{3-[(methylamino)methyl]-5-(trifluoromethyl)phenyl}pyridin-2-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 (1.79 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
9CVW
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BU of 9cvw by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant bound with 6-(3-chloro-5-((methylamino)methyl)phenyl)-4-methylpyridin-2-amine dihydrochloride
分子名称: (6P)-6-{3-chloro-5-[(methylamino)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 (1.87 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
9CVI
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BU of 9cvi by Molmil
Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 4-methyl-6-(3-((methylamino)methyl)phenyl)pyridin-2-amine dihydrochloride
分子名称: 4-methyl-6-{3-[(methylamino)methyl]phenyl}pyridin-2-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 (2.03 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
9CVU
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BU of 9cvu by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 4-methyl-6-(3-((methylamino)methyl)-5-(trifluoromethyl)phenyl)pyridin-2-amine dihydrochloride
分子名称: (6P)-4-methyl-6-{3-[(methylamino)methyl]-5-(trifluoromethyl)phenyl}pyridin-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 (1.94 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
9CWD
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BU of 9cwd by Molmil
Structure of human endothelial nitric oxide synthase heme domain bound with 6-(5-((dimethylamino)methyl)-2,3-difluorophenyl)-4-methylpyridin-2-amine dihydrochloride
分子名称: (6M)-6-{5-[(dimethylamino)methyl]-2,3-difluorophenyl}-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 (1.92 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
9CW8
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BU of 9cw8 by Molmil
Structure of human endothelial nitric oxide synthase heme domain bound with 3-(6-amino-4-methylpyridin-2-yl)-5-((methylamino)methyl)benzonitrile dihydrochloride
分子名称: (3P)-3-(6-amino-4-methylpyridin-2-yl)-5-[(methylamino)methyl]benzonitrile, 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 (1.92 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
9CVK
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BU of 9cvk by Molmil
Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-(3-chloro-5-((methylamino)methyl)phenyl)-4-methylpyridin-2-amine dihydrochloride
分子名称: (6P)-6-{3-chloro-5-[(methylamino)methyl]phenyl}-4-methylpyridin-2-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 (1.901 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
9CVV
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BU of 9cvv by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 6-(3-fluoro-5-((methylamino)methyl)phenyl)-4-methylpyridin-2-amine dihydrochloride
分子名称: (6M)-6-{3-fluoro-5-[(methylamino)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 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
9CW3
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BU of 9cw3 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 6-(5-((4,4-difluoropiperidin-1-yl)methyl)-2,3-difluorophenyl)-4-methylpyridin-2-amine dihydrochloride
分子名称: (6M)-6-{5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl}-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 (2.19 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
9CVN
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BU of 9cvn by Molmil
Structure of rat neuronal nitric oxide synthase bound with 6-(2,3-difluoro-5-((methylamino)methyl)phenyl)-4-methylpyridin-2-amine dihydrochloride
分子名称: (6M)-6-{2,3-difluoro-5-[(methylamino)methyl]phenyl}-4-methylpyridin-2-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 (1.85 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
9CVY
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BU of 9cvy by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 6-(2,3-difluoro-5-((methylamino)methyl)phenyl)-4-methylpyridin-2-amine dihydrochloride
分子名称: (6M)-6-{2,3-difluoro-5-[(methylamino)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 (2.391 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
9CW9
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BU of 9cw9 by Molmil
Structure of human endothelial nitric oxide synthase heme domain bound with 6-(2,3-difluoro-5-((methylamino)methyl)phenyl)-4-methylpyridin-2-amine dihydrochloride
分子名称: (6M)-6-{2,3-difluoro-5-[(methylamino)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 (2.12 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
9CVP
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BU of 9cvp by Molmil
Structure of rat neuronal nitric oxide synthase R349A mutant 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, Nitric oxide synthase, ...
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 (1.97 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
9CVX
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BU of 9cvx by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain 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, 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 (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
9CVL
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BU of 9cvl by Molmil
Structure of rat neuronal nitric oxide synthase R349A mutant 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, 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 (1.92 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
9CVS
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BU of 9cvs by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 4-methyl-6-(3-((methylamino)methyl)phenyl)pyridin-2-amine dihydrochloride
分子名称: 4-methyl-6-{3-[(methylamino)methyl]phenyl}pyridin-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 (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

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