PDB: 1384 件ウェブページステータス検索Chemie searchBIRD

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1RS9	Bovine endothelial NOS heme domain with D-phenylalanine-D-nitroarginine amide bound 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ... 著者 Flinspach, M, Li, H, Jamal, J, Yang, W, Huang, H, Silverman, R.B, Poulos, T.L. 登録日 2003-12-09 公開日 2004-06-15 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.22 Å) 主引用文献 Structures of the neuronal and endothelial nitric oxide synthase heme domain with D-nitroarginine-containing dipeptide inhibitors bound. Biochemistry, 43, 2004
3B3P	Structure of neuronal 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, N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine, ... 著者 Igarashi, J, Li, H, Poulos, T.L. 登録日 2007-10-22 公開日 2008-11-04 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.45 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
1RS6	Rat neuronal NOS heme domain with D-lysine-D-nitroarginine amide bound 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, D-MANNITOL, ... 著者 Flinspach, M, Li, H, Jamal, J, Yang, W, Huang, H, Silverman, R.B, Poulos, T.L. 登録日 2003-12-09 公開日 2004-05-18 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structures of the Neuronal and Endothelial Nitric Oxide Synthase Heme Domain with d-Nitroarginine-Containing Dipeptide Inhibitors Bound. Biochemistry, 43, 2004
1RS7	Rat neuronal NOS heme domain with D-phenylalanine-D-nitroarginine amide bound 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, D-MANNITOL, ... 著者 Flinspach, M, Li, H, Jamal, J, Yang, W, Huang, H, Silverman, R.B, Poulos, T.L. 登録日 2003-12-09 公開日 2004-05-18 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structures of the Neuronal and Endothelial Nitric Oxide Synthase Heme Domain with d-Nitroarginine-Containing Dipeptide Inhibitors Bound. Biochemistry, 43, 2004
3NSE	BOVINE ENOS, H4B-FREE, SEITU COMPLEX 分子名称: ACETATE ION, ARGININE, CACODYLATE ION, ... 著者 Raman, C.S, Li, H, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L. 登録日 1998-09-23 公開日 1999-05-18 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.1 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
3DQS	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
3DQT	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
3DQR	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
3B3O	Structure of neuronal 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, N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N'-(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE, ... 著者 Igarashi, J, Li, H, Poulos, T.L. 登録日 2007-10-22 公開日 2008-11-04 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.05 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
5FVU	Structure of human nNOS R354A G357D mutant heme domain in complex with 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl) pyridin-2-amine 分子名称: 1,2-ETHANEDIOL, 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ... 著者 Li, H, Poulos, T.L. 登録日 2016-02-10 公開日 2016-04-20 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.224 Å) 主引用文献 Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker. J.Med.Chem., 59, 2016
5FVW	Structure of human nNOS R354A G357D mutant heme domain in complex with 4-methyl-6-(2-(5-(3-(methylamino)propyl)pyridin-3-yl)ethyl) pyridin-2-amine 分子名称: 4-METHYL-6-(2-(5-(3-(METHYLAMINO)PROPYL)PYRIDIN-3-YL)ETHYL)PYRIDIN-2-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, ... 著者 Li, H, Poulos, T.L. 登録日 2016-02-10 公開日 2016-04-20 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker. J.Med.Chem., 59, 2016
5FVX	Structure of human nNOS R354A G357D mutant heme domain in complex with with 6-(2-(5-(3-(DIMETHYLAMINO)PROPYL) PYRIDIN-3-YL)ETHYL)-4-METHYLPYRIDIN-2-AMINE 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-(5-(3-(DIMETHYLAMINO)PROPYL)PYRIDIN-3-YL)ETHYL)-4-METHYLPYRIDIN-2-AMINE, NITRIC OXIDE SYNTHASE, ... 著者 Li, H, Poulos, T.L. 登録日 2016-02-10 公開日 2016-04-20 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker. J.Med.Chem., 59, 2016
5FVV	Structure of human nNOS R354A G357D mutant heme domain in complex with 4-methyl-6-(2-(5-(1-methylpiperidin-4-yl)pyridin-3-yl)ethyl) pyridin-2-amine 分子名称: 4-methyl-6-(2-(5-(1-methylpiperidin-4-yl)pyridin-3-yl)ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, ... 著者 Li, H, Poulos, T.L. 登録日 2016-02-10 公開日 2016-04-20 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker. J.Med.Chem., 59, 2016
4D1N	Structure of human nNOS heme domain with L-Arg bound 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, GLYCEROL, ... 著者 Li, H, Poulos, T.L. 登録日 2014-05-02 公開日 2014-10-15 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Structures of Human Constitutive Nitric Oxide Synthases Acta Crystallogr.,Sect.D, 70, 2014
7M56	Structure of human endothelial nitric oxide synthase heme domain in complex with 7-((3-(3-aminophenethyl)phenoxy)methyl)quinolin-2-amine 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine, ... 著者 Li, H, Poulos, T.L. 登録日 2021-03-22 公開日 2022-03-30 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.957 Å) 主引用文献 Inhibition of bacterial nitric oxide synthase as an antimicrobial tool in fighting some antibiotic-resistant pathogens To be published
2Y37	The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS) 分子名称: 2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... 著者 Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T.N, Boughton-Smith, N, Connolly, S, Cook, T.R, Cooper, A, Cooper, S.L, Cox, D, Dixon, J, Gensmantel, N, Hamley, P.J, Harrison, R, Hartopp, P, Kack, H, Luker, T, Mete, A, Millichip, I, Nicholls, D.J, Pimm, A.D, St-Gallay, S.A, Wallace, A.V. 登録日 2010-12-19 公開日 2011-04-13 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos). Bioorg.Med.Chem.Lett., 21, 2011
1LZZ	Rat neuronal NOS heme domain with N-isopropyl-N'-hydroxyguanidine bound 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-ISOPROPYL-N'-HYDROXYGUANIDINE, ... 著者 Li, H, Shimizu, H, Flinspach, M, Jamal, J, Yang, W, Xian, M, Cai, T, Wen, E.Z, Jia, Q, Wang, P.G, Poulos, T.L. 登録日 2002-06-11 公開日 2002-11-27 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 The Novel Binding Mode of N-Alkyl-N'-Hydroxyguanidine to Neuronal Nitric Oxide Synthase Provides Mechanistic Insights into NO Biosynthesis Biochemistry, 41, 2002
1LZX	Rat neuronal NOS heme domain with NG-hydroxy-L-arginine bound 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-OMEGA-HYDROXY-L-ARGININE, ... 著者 Li, H, Shimizu, H, Flinspach, M, Jamal, J, Yang, W, Xian, M, Cai, T, Wen, E.Z, Jia, Q, Wang, P.G, Poulos, T.L. 登録日 2002-06-11 公開日 2002-11-27 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The Novel Binding Mode of N-Alkyl-N'-Hydroxyguanidine to Neuronal Nitric Oxide Synthase Provides Mechanistic Insights into NO Biosynthesis Biochemistry, 41, 2002
1M00	Rat neuronal NOS heme domain with N-butyl-N'-hydroxyguanidine bound 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-BUTYL-N'-HYDROXYGUANIDINE, ... 著者 Li, H, Shimizu, H, Flinspach, M, Jamal, J, Yang, W, Xian, M, Cai, T, Wen, E.Z, Jia, Q, Wang, P.G, Poulos, T.L. 登録日 2002-06-11 公開日 2002-11-27 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 The Novel Binding Mode of N-Alkyl-N'-Hydroxyguanidine to Neuronal Nitric Oxide Synthase Provides Mechanistic Insights into NO Biosynthesis Biochemistry, 41, 2002
2FC1	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
3B3M	Structure of neuronal NOS heme domain in complex with a inhibitor (+-)-3-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-ylamino}propan-1-ol 分子名称: 3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... 著者 Igarashi, J, Li, H, Poulos, T.L. 登録日 2007-10-22 公開日 2008-07-15 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Minimal pharmacophoric elements and fragment hopping, an approach directed at molecular diversity and isozyme selectivity. Design of selective neuronal nitric oxide synthase inhibitors. J.Am.Chem.Soc., 130, 2008
3B3N	Structure of neuronal NOS 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 2007-10-22 公開日 2008-07-15 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Minimal pharmacophoric elements and fragment hopping, an approach directed at molecular diversity and isozyme selectivity. Design of selective neuronal nitric oxide synthase inhibitors. J.Am.Chem.Soc., 130, 2008
4LUW	Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-((((3R,5S)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({[(3R,5S)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2013-07-25 公開日 2013-10-23 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Structural and biological studies on bacterial nitric oxide synthase inhibitors. Proc.Natl.Acad.Sci.USA, 110, 2013
4LWB	Structure of Bacillus subtilis nitric oxide synthase in complex with 6-((((3R,5S)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({[(3R,5S)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine, CHLORIDE ION, ... 著者 Holden, J.K, Li, H, Poulos, T.L. 登録日 2013-07-26 公開日 2013-10-23 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Structural and biological studies on bacterial nitric oxide synthase inhibitors. Proc.Natl.Acad.Sci.USA, 110, 2013
4LWA	Structure of Bacillus subtilis nitric oxide synthase in complex with ((2S, 3S)-1,3-bis((6-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylpyridin-2-yl)methoxy)-2-aminobutane 分子名称: 6,6'-{[(2S,3S)-2-aminobutane-1,3-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), CHLORIDE ION, GLYCEROL, ... 著者 Holden, J.K, Li, H, Poulos, T.P. 登録日 2013-07-26 公開日 2013-10-23 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 Structural and biological studies on bacterial nitric oxide synthase inhibitors. Proc.Natl.Acad.Sci.USA, 110, 2013

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