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PDB: 857 件
7TS2
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Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3,3-difluoroazetidin-1-yl)propyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(3,3-difluoroazetidin-1-yl)propyl]-4-methylpyridin-2-amine, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2022-01-31
公開日2022-07-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9758 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
7TSD
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Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with 6-(3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl]-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 (1.769 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
7TSK
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Structure of human endothelial nitric oxide synthase heme domain in complex with 4-methyl-6-(3-(methylamino)prop-1-yn-1-yl)pyridin-2-amine
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-methyl-6-[3-(methylamino)prop-1-yn-1-yl]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 (2.049 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
3CBD
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BU of 3cbd by Molmil
Directed Evolution of cytochrome P450 BM3, to octane monoxygenase 139-3
分子名称: Bifunctional P-450/NADPH-P450 reductase, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE
著者Meharenna, Y.T, Li, H, Poulos, T.L.
登録日2008-02-21
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Directed Evolution of cytochrome P450 BM3, to octane monoxygenase 139-3
To be Published
7US7
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BU of 7us7 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(4-(dimethylamino)but-1-yn-1-yl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[4-(dimethylamino)but-1-yn-1-yl]-4-methylpyridin-2-amine, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2022-04-23
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.93 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
7US8
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BU of 7us8 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(4-(dimethylamino)butyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[4-(dimethylamino)butyl]-4-methylpyridin-2-amine, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2022-04-23
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.82 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
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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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
3ERC
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BU of 3erc by Molmil
Crystal structure of the heterodimeric vaccinia virus mRNA polyadenylate polymerase with three fragments of RNA and 3'-deoxy ATP
分子名称: 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase, ...
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2023-09-06
実験手法X-RAY DIFFRACTION (3.21 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
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
1FAG
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BU of 1fag by Molmil
STRUCTURE OF CYTOCHROME P450
分子名称: CYTOCHROME P450 BM-3, PALMITOLEIC ACID, 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 (2.7 Å)
主引用文献The structure of the cytochrome p450BM-3 haem domain complexed with the fatty acid substrate, palmitoleic acid.
Nat.Struct.Biol., 4, 1997
1TWN
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BU of 1twn by Molmil
Crystal structures of ferrous and ferrous-NO forms of verdoheme in a complex with human heme oxygenase-1: catalytic implications for heme cleavage
分子名称: Heme oxygenase 1, IRON-OCTAETHYLPORPHYRIN
著者Lad, L, Ortiz de Montellano, P.R, Poulos, T.L.
登録日2004-07-01
公開日2005-07-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of ferrous and ferrous-NO forms of verdoheme in a complex with human heme oxygenase-1: catalytic implications for heme cleavage.
J.Inorg.Biochem., 98, 2004
1XJZ
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BU of 1xjz by Molmil
Crystal Structures of the G139A, G139A-NO and G143H Mutants of Human Heme Oxygenase-1
分子名称: Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
著者Lad, L, Ortiz de Montellano, P.R, Poulos, T.L.
登録日2004-09-26
公開日2005-10-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal Structures of the G139A, G139A-NO and G143H Mutants of Human Heme Oxygenase-1. A finely tuned hydrogen-bonding network controls oxygenase versus peroxidase activity.
J.Biol.Inorg.Chem., 10, 2005
1XK3
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BU of 1xk3 by Molmil
NADPH- and Ascorbate-Supported Heme Oxygenase Reactions are Distinct. Regiospecificity of Heme Cleavage by the R183E Mutant
分子名称: Heme oxygenase 1, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE
著者Wang, J, Lad, L, Poulos, T.L, Ortiz de montellano, P.R.
登録日2004-09-26
公開日2004-11-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Regiospecificity determinants of human heme oxygenase: differential NADPH- and ascorbate-dependent heme cleavage by the R183E mutant.
J.Biol.Chem., 280, 2005
1XK2
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BU of 1xk2 by Molmil
NADPH- and Ascorbate-Supported Heme Oxygenase Reactions are Distinct. Regiospecificity of Heme Cleavage by the R183E Mutant
分子名称: Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
著者Wang, J, Lad, L, Poulos, T.L, Ortiz de montellano, P.R.
登録日2004-09-26
公開日2004-11-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Regiospecificity determinants of human heme oxygenase: differential NADPH- and ascorbate-dependent heme cleavage by the R183E mutant.
J.Biol.Chem., 280, 2005
1XK0
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BU of 1xk0 by Molmil
Crystal Structures of the G139A, G139A-NO and G143H Mutants of Human Heme Oxygenase-1
分子名称: Heme oxygenase 1, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE
著者Lad, L, Koshkin, A, Ortiz de Montellano, P.R, Poulos, T.L.
登録日2004-09-26
公開日2005-12-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystal structures of the G139A, G139A-NO and G143H mutants of human heme oxygenase-1. A finely tuned hydrogen-bonding network controls oxygenase versus peroxidase activity.
J.Biol.Inorg.Chem., 10, 2005
1XK1
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BU of 1xk1 by Molmil
Crystal Structures of the G139A, G139A-NO and G143H Mutants of Human Heme Oxygenase-1
分子名称: Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
著者Lad, L, Ortiz de Montellano, P.R, Poulos, T.L.
登録日2004-09-26
公開日2005-12-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Crystal structures of the G139A, G139A-NO and G143H mutants of human heme oxygenase-1. A finely tuned hydrogen-bonding network controls oxygenase versus peroxidase activity.
J.Biol.Inorg.Chem., 10, 2005
1ZBY
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BU of 1zby by Molmil
High-Resolution Crystal Structure of Native (Resting) Cytochrome c Peroxidase (CcP)
分子名称: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Bonagura, C.A, Bhaskar, B, Shimizu, H, Li, H, Sundaramoorthy, M, McRee, D.E, Goodin, D.B, Poulos, T.L.
登録日2005-04-09
公開日2005-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献High-resolution crystal structures and spectroscopy of native and compound I cytochrome c peroxidase
Biochemistry, 42, 2003
1ZBZ
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BU of 1zbz by Molmil
High-Resolution Crystal Structure of Compound I intermediate of Cytochrome c Peroxidase (CcP)
分子名称: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Bonagura, C.A, Bhaskar, B, Shimizu, H, Li, H, Sundaramoorthy, M, McRee, D.E, Goodin, D.B, Poulos, T.L.
登録日2005-04-09
公開日2005-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献High-resolution crystal structures and spectroscopy of native and compound I cytochrome c peroxidase
Biochemistry, 42, 2003
3SVQ
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BU of 3svq by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((2,2-Difluoro-2-(2,3-difluorophenyl)ethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[2-(2,3-difluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2011-07-12
公開日2011-09-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Improved Synthesis of Chiral Pyrrolidine Inhibitors and Their Binding Properties to Neuronal Nitric Oxide Synthase.
J.Med.Chem., 54, 2011
3SVP
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BU of 3svp by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((2,2-Difluoro-2-(3-chloro-5-fluorophenyl)ethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[2-(3-chloro-5-fluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2011-07-12
公開日2011-09-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Improved Synthesis of Chiral Pyrrolidine Inhibitors and Their Binding Properties to Neuronal Nitric Oxide Synthase.
J.Med.Chem., 54, 2011
3TYN
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BU of 3tyn by Molmil
Structure of neuronal nitric oxide synthase heme domain in complex with 2-(((2-(((3S,4S)-4-((6-amino-4-methylpyridin-2-yl)methyl)pyrrolidin-3-yl)oxy)ethyl)amino)methyl)phenol
分子名称: 2-({[2-({(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)ethyl]amino}methyl)phenol, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2011-09-26
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.968 Å)
主引用文献Intramolecular hydrogen bonding: A potential strategy for more bioavailable inhibitors of neuronal nitric oxide synthase.
Bioorg.Med.Chem., 20, 2012
3TYL
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Structure of neuronal nitric oxide synthase heme domain in complex with 6-(((3S,4S)-4-(2-((2-fluorobenzyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3S,4S)-4-{2-[(2-fluorobenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2011-09-26
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Intramolecular hydrogen bonding: A potential strategy for more bioavailable inhibitors of neuronal nitric oxide synthase.
Bioorg.Med.Chem., 20, 2012

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