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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
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
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
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
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
2BHJ
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BU of 2bhj by Molmil
murine iNO synthase with coumarin inhibitor
分子名称: 7,8-DIHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Mathieu, M, Guilloteau, J.P.
登録日2005-01-12
公開日2005-03-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Design, Synthesis and Characterization of a Novel Class of Coumarin-Based Inhibitors of Inducible Nitric Oxide Synthase
Bioorg.Med.Chem., 13, 2005
8UFU
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BU of 8ufu by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 7-(9-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-4-methylquinolin-2-amine
分子名称: (7M)-7-[(9S)-9-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-4-methylquinolin-2-amine, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者Li, H, Poulos, T.L.
登録日2023-10-04
公開日2024-03-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase.
Biochemistry, 63, 2024
8UFS
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BU of 8ufs by Molmil
Structure of human endothelial nitric oxide synthase E361Q mutant heme domain obtain after soaking crystal with 4-methyl-7-(4-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepin-7-yl)quinolin-2-amine dihydrochloride
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, CALCIUM ION, ...
著者Li, H, Poulos, T.L.
登録日2023-10-04
公開日2024-03-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase.
Biochemistry, 63, 2024
8UFR
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BU of 8ufr by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 4-methyl-7-(4-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepin-7-yl)quinolin-2-amine dihydrochloride
分子名称: (7M)-4-methyl-7-(4-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)quinolin-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2023-10-04
公開日2024-03-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.871 Å)
主引用文献Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase.
Biochemistry, 63, 2024
8UFQ
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BU of 8ufq by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D/E597Q mutant heme domain obtained after soaking crystal with 4-methyl-7-(4-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepin-7-yl)quinolin-2-amine dihydrochloride
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, Nitric oxide synthase 1, ...
著者Li, H, Poulos, T.L.
登録日2023-10-04
公開日2024-03-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase.
Biochemistry, 63, 2024
8UFT
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BU of 8uft by Molmil
Structure of human endothelial nitric oxide synthase P370N mutant heme domain in complex with 4-methyl-7-(4-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepin-7-yl)quinolin-2-amine
分子名称: (7M)-4-methyl-7-(4-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)quinolin-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2023-10-04
公開日2024-03-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase.
Biochemistry, 63, 2024
8UFP
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BU of 8ufp by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-methyl-7-(4-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepin-7-yl)quinolin-2-amine dihydrochloride
分子名称: (7M)-4-methyl-7-(4-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)quinolin-2-amine, GLYCEROL, Nitric oxide synthase, ...
著者Li, H, Poulos, T.L.
登録日2023-10-04
公開日2024-03-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase.
Biochemistry, 63, 2024
2AN2
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BU of 2an2 by Molmil
P332G, A333S Double mutant of the Bacillus subtilis Nitric Oxide Synthase
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, P332G A333S double mutant of Nitric Oxide Synthase from Bacillus subtilis, ...
著者Pant, K, Crane, B.R.
登録日2005-08-11
公開日2006-08-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of a loose dimer: an intermediate in nitric oxide synthase assembly
J.Mol.Biol., 352, 2005
2AN0
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BU of 2an0 by Molmil
Crystal Structure of the P332G mutant of the Bacillus subtilis NOS
分子名称: Nitric Oxide Synthase, PROTOPORPHYRIN IX CONTAINING FE
著者Pant, K, Crane, B.R.
登録日2005-08-10
公開日2006-08-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of a loose dimer: an intermediate in nitric oxide synthase assembly
J.Mol.Biol., 352, 2005
2AMO
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BU of 2amo by Molmil
Loose Dimer of a Bacillus subtilis Nitric Oxide Synthase
分子名称: Nitric oxide synthase oxygenase, PROTOPORPHYRIN IX CONTAINING FE
著者Pant, K, Crane, B.R.
登録日2005-08-09
公開日2006-10-31
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of a loose dimer: an intermediate in nitric oxide synthase assembly.
J.Mol.Biol., 352, 2005
2FC1
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BU of 2fc1 by Molmil
Heme NO Complex in NOS
分子名称: 7,8-DIHYDROBIOPTERIN, ARGININE, NITRIC OXIDE, ...
著者Pant, K, Crane, B.R.
登録日2005-12-10
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Nitrosyl-Heme Structures of Bacillus subtilis Nitric Oxide Synthase Have Implications for Understanding Substrate Oxidation.
Biochemistry, 45, 2006
2FLQ
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BU of 2flq by Molmil
Crystal Structure of Nitric Oxide Synthase from Geobacillus Stearothermophilus (ATCC 12980) complexed with L-arginine
分子名称: ARGININE, Nitric Oxide Synthase, PROTOPORPHYRIN IX CONTAINING FE
著者Sudhamsu, J, Crane, B.R.
登録日2006-01-06
公開日2006-01-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure and Reactivity of a Thermostable Prokaryotic Nitric-oxide Synthase That Forms a Long-lived Oxy-Heme Complex.
J.Biol.Chem., 281, 2006
2FBZ
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BU of 2fbz by Molmil
Heme-No complex in a bacterial Nitric Oxide Synthase
分子名称: 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, N-OMEGA-HYDROXY-L-ARGININE, NITRIC OXIDE, ...
著者Pant, K, Crane, B.R.
登録日2005-12-10
公開日2006-08-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Nitrosyl-heme structures of Bacillus subtilis nitric oxide synthase have implications for understanding substrate oxidation.
Biochemistry, 45, 2006
2FC2
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BU of 2fc2 by Molmil
NO-HEME complex in a bacterial nitric oxide synthase. An Fe(III)-NO may cause nitrosation.
分子名称: 7,8-DIHYDROBIOPTERIN, N-OMEGA-HYDROXY-L-ARGININE, NITRIC OXIDE, ...
著者Pant, K, Crane, B.R.
登録日2005-12-10
公開日2006-08-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Nitrosyl-heme structures of Bacillus subtilis nitric oxide synthase have implications for understanding substrate oxidation.
Biochemistry, 45, 2006
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
2ORP
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BU of 2orp by Molmil
Murine inducible nitric oxide synthase oxygenase domain (delta 114) 2-[4-(2-Imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-isobutyryl-piperazin-2-yl]-N-[2-(4-methoxy-phenyl)-ethyl]-acetamide complex
分子名称: 2-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE, PROTOPORPHYRIN IX CONTAINING FE, nitric oxide synthase, ...
著者Adler, M, Whitlow, M.
登録日2007-02-04
公開日2007-04-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.97 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
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

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