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

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4D32	Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-(3-fluorophenyl)-N-2-(2-(5-methyl-1H-imidazol-1-yl) pyrimidin-4-yl)ethylpropan-1-amine 分子名称: 3-(3-fluorophenyl)-N-{2-[2-(5-methyl-1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2014-10-20 公開日 2014-12-24 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.103 Å) 主引用文献 Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
4D2Z	Structure of rat neuronal nitric oxide synthase heme domain in complex with (1S,2S)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-YL)pyrimidin-4-YL]ethyl}cyclopropanamine 分子名称: (1S,2S)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2014-10-20 公開日 2014-12-24 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.886 Å) 主引用文献 Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
1VAG	Neuronal nitric oxide synthase oxygenase domain complexed with the inhibitor AR-R17477 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, N-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE, Nitric-oxide synthase, ... 著者 Fedorov, R, Vasan, R, Ghosh, D.K, Schlichting, I. 登録日 2004-02-16 公開日 2004-06-01 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structures of nitric oxide synthase isoforms complexed with the inhibitor AR-R17477 suggest a rational basis for specificity and inhibitor design Proc.Natl.Acad.Sci.USA, 101, 2004
3NOS	HUMAN ENDOTHELIAL NITRIC OXIDE SYNTHASE WITH ARGININE SUBSTRATE 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ENDOTHELIAL NITRIC-OXIDE SYNTHASE, N-OMEGA-HYDROXY-L-ARGININE, ... 著者 Fischmann, T.O, Weber, P.C. 登録日 1999-02-03 公開日 2000-02-04 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structural characterization of nitric oxide synthase isoforms reveals striking active-site conservation. Nat.Struct.Biol., 6, 1999
6PN0	Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-ethoxyphenyl)-4-methylquinolin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2019-07-02 公開日 2020-04-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.229 Å) 主引用文献 First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
6PNA	Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(4-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine, GLYCEROL, ... 著者 Li, H, Poulos, T.L. 登録日 2019-07-02 公開日 2020-04-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
6PN5	Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl)-4-methylquinolin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2019-07-02 公開日 2020-04-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.699 Å) 主引用文献 First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
6PNH	Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-isopropoxyphenyl)-4-methylquinolin-2-amine 分子名称: 7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine, Nitric oxide synthase, brain, ... 著者 Li, H, Poulos, T.L. 登録日 2019-07-02 公開日 2020-04-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
6POA	Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-(pyridin-3-ylmethoxy)phenyl)-4-methylquinolin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(pyridin-3-yl)methoxy]phenyl}-4-methylquinolin-2-amine, Nitric oxide synthase, ... 著者 Li, H, Poulos, T.L. 登録日 2019-07-03 公開日 2020-04-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.809 Å) 主引用文献 First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
6PP4	Structure of human endothelial nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(pyridin-3-ylmethoxy)phenyl)-4-methylquinolin-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-(aminomethyl)-4-[(pyridin-3-yl)methoxy]phenyl}-4-methylquinolin-2-amine, ... 著者 Chreifi, G, Li, H, Poulos, T.L. 登録日 2019-07-05 公開日 2020-04-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
6PMW	Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(4-(Aminomethyl)phenyl)-4-methylquinolin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[4-(aminomethyl)phenyl]-4-methylquinolin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2019-07-02 公開日 2020-04-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.748 Å) 主引用文献 First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
6PN8	Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(oxazol-4-ylmethoxy)phenyl)-4-methylquinolin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(1,3-oxazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2019-07-02 公開日 2020-04-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.838 Å) 主引用文献 First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
6PN1	Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-propoxyphenyl)-4-methylquinolin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2019-07-02 公開日 2020-04-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.196 Å) 主引用文献 First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
6PNC	Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)phenyl]-4-methylquinolin-2-amine, Nitric oxide synthase, ... 著者 Li, H, Poulos, T.L. 登録日 2019-07-02 公開日 2020-04-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
6PN2	Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-isopropoxyphenyl)-4-methylquinolin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2019-07-02 公開日 2020-04-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.877 Å) 主引用文献 First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
6PND	Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine, Nitric oxide synthase, ... 著者 Li, H, Poulos, T.L. 登録日 2019-07-02 公開日 2020-04-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
3JWX	Structure of endothelial nitric oxide synthase heme domain complexed with N1-[(3'R,4'R)-4'-((6"-amino-4"-methylpyridin-2"-yl)methyl)pyrrolidin-3'-yl]-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLIC ACID, ... 著者 Delker, S.L, Li, H, Poulos, T.L. 登録日 2009-09-18 公開日 2010-05-05 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model. J.Am.Chem.Soc., 132, 2010
6PP2	Structure of human endothelial nitric oxide synthase heme domain in complex with 4-((4-(2-Amino-4-methylquinolin-7-yl)-2-(aminomethyl)phenoxy)methyl)benzonitrile 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-{[2-(aminomethyl)-4-(2-amino-4-methylquinolin-7-yl)phenoxy]methyl}benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ... 著者 Chreifi, G, Li, H, Poulos, T.L. 登録日 2019-07-05 公開日 2020-04-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
6PN4	Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(cyclopropylmethoxy)phenyl)-4-methylquinolin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl]-4-methylquinolin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2019-07-02 公開日 2020-04-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.898 Å) 主引用文献 First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
6PNF	Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-ethoxyphenyl)-4-methylquinolin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine, GLYCEROL, ... 著者 Li, H, Poulos, T.L. 登録日 2019-07-02 公開日 2020-04-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
6POC	Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-(oxazol-4-ylmethoxy)phenyl)-4-methylquinolin-2-amine 分子名称: 7-{3-(aminomethyl)-4-[(1,3-oxazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine, GLYCEROL, Nitric oxide synthase, ... 著者 Li, H, Poulos, T.L. 登録日 2019-07-03 公開日 2020-04-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.998 Å) 主引用文献 First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
6POW	Structure of human endotheial nitric oxide synthase heme domain in complex with 7-(5-(Aminomethyl)pyridin-3-yl)-4-methylquinolin-2-amine 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[5-(aminomethyl)pyridin-3-yl]-4-methylquinolin-2-amine, ... 著者 Chreifi, G, Li, H, Poulos, T.L. 登録日 2019-07-05 公開日 2020-04-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
6PO5	Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-(cyclobutylmethoxy)phenyl)-4-methylquinolin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)-4-(cyclobutylmethoxy)phenyl]-4-methylquinolin-2-amine, GLYCEROL, ... 著者 Li, H, Poulos, T.L. 登録日 2019-07-03 公開日 2020-04-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
6PP3	Structure of human endothelial nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl)-4-methylquinolin-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-(aminomethyl)-4-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine, ... 著者 Li, H, Poulos, T.L. 登録日 2019-07-05 公開日 2020-04-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
6PMY	Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2019-07-02 公開日 2020-04-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020

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