PDB: 47720 件ウェブページステータス検索Chemie searchBIRD

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5W3M	CryoEM structure of rhinovirus B14 in complex with C5 Fab (33 degrees Celsius, molar ratio 1:1, full particle) 分子名称: C5 antibody variable heavy domain, C5 antibody variable light domain, viral protein 1, ... 著者 Liu, Y, Dong, Y, Rossmann, M.G. 登録日 2017-06-08 公開日 2017-07-12 最終更新日 2019-12-11 実験手法 ELECTRON MICROSCOPY (2.26 Å) 主引用文献 Antibody-induced uncoating of human rhinovirus B14. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4E5A	The W197A mutant of p38a MAP kinase 分子名称: Mitogen-activated protein kinase 14 著者 Livnah, O, Tzarum, N, Eisenberg-Domovich, Y. 登録日 2012-03-14 公開日 2012-10-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Lipid Molecules Induce p38 alpha Activation via a Novel Molecular Switch. J.Mol.Biol., 424, 2012
4EHV	Human p38 MAP kinase in complex with NP-F10 and RL87 分子名称: (1R,5S)-3-(4-chlorobenzoyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine 著者 Over, B, Gruetter, C, Waldmann, H, Rauh, D. 登録日 2012-04-04 公開日 2012-12-05 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
4KGQ	Crystal structure of a human light loop mutant in complex with dcr3 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Tumor necrosis factor ligand superfamily member 14, ... 著者 Liu, W, Zhan, C, Bonanno, J.B, Sampathkumar, P, Toro, R, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) 登録日 2013-04-29 公開日 2013-07-10 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Mechanistic basis for functional promiscuity in the TNF and TNF receptor superfamilies: structure of the LIGHT:DcR3 assembly. Structure, 22, 2014
3QUD	Human p38 MAP Kinase in Complex with 2-amino-phenylamino-benzophenone 分子名称: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside, {4-[(2-aminophenyl)amino]phenyl}(phenyl)methanone 著者 Gruetter, C, Rauh, D. 登録日 2011-02-23 公開日 2012-04-11 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Resolving the selectivity problem for p38 mitogen activated protein (MAP) Kinase-inhibitors: Development of new highly potent inhibitors of p38 MAP kinase with an outstanding selectivity profile To be Published
4DUA	cytochrome P450 BM3h-9D7 MRI sensor, no ligand 分子名称: PROTOPORPHYRIN IX CONTAINING FE, TRIETHYLENE GLYCOL, cytochrome P450 BM3 variant 9D7 著者 Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H. 登録日 2012-02-21 公開日 2012-06-13 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin. J.Mol.Biol., 422, 2012
4LOO	Structural basis of autoactivation of p38 alpha induced by TAB1 (Monoclinic crystal form) 分子名称: 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, Mitogen-activated protein kinase 14, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 著者 Chaikuad, A, DeNicola, G.F, Krojer, T, Allerston, C.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Marber, M.S, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2013-07-13 公開日 2013-08-21 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Mechanism and consequence of the autoactivation of p38 alpha mitogen-activated protein kinase promoted by TAB1. Nat.Struct.Mol.Biol., 20, 2013
4LOQ	Structural basis of autoactivation of p38 alpha induced by TAB1 (Tetragonal crystal form with bound sulphate) 分子名称: 1,2-ETHANEDIOL, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, Mitogen-activated protein kinase 14, ... 著者 Chaikuad, A, DeNicola, G.F, Yue, W.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Marber, M.S, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2013-07-13 公開日 2013-08-21 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.319 Å) 主引用文献 Mechanism and consequence of the autoactivation of p38 alpha mitogen-activated protein kinase promoted by TAB1. Nat.Struct.Mol.Biol., 20, 2013
3EDV	Crystal Structure of Repeats 14-16 of Beta2-Spectrin 分子名称: MAGNESIUM ION, Spectrin beta chain, brain 1 著者 Michaely, P, Tomchick, D.R. 登録日 2008-09-03 公開日 2009-01-20 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.951 Å) 主引用文献 Localization and Structure of the Ankyrin-binding Site on beta2-Spectrin J.Biol.Chem., 284, 2009
6NG3	Crystal structure of human CD160 and HVEM complex 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD160 antigen,Tumor necrosis factor receptor superfamily member 14, MAGNESIUM ION, ... 著者 Liu, W, Bonanno, J, Almo, S.C. 登録日 2018-12-21 公開日 2019-07-03 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.88 Å) 主引用文献 Structural Basis of CD160:HVEM Recognition. Structure, 27, 2019
6NGM	Structure of rat neuronal nitric oxide synthase heme domain in complex with (R)-6-(3-fluoro-5-(2-(1-methylpyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(3-fluoro-5-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2018-12-21 公開日 2019-03-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.693 Å) 主引用文献 Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
6NGZ	Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-6-(2,3-difluoro-5-(2-(1-methylpyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(2,3-difluoro-5-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2018-12-21 公開日 2019-03-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
5WJJ	Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors 分子名称: Mitogen-activated protein kinase 14, N-{4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl}-2-methyl-1-oxo-1lambda~5~-pyridine-4-carboxamide 著者 Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C. 登録日 2017-07-23 公開日 2018-01-17 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors. Bioorg. Med. Chem., 26, 2018
6NGS	Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(5-(3-(dimethylamino)propyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[3-(dimethylamino)propyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2018-12-21 公開日 2019-03-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
6NGU	Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-(3-(dimethylamino)propyl)-2,5-difluorophenethyl)-4-methylpyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)propyl]-2,5-difluorophenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2018-12-21 公開日 2019-03-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
6NGL	Structure of rat neuronal nitric oxide synthase heme domain in complex with (R)-6-(3-fluoro-5-(2-(pyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(3-fluoro-5-{2-[(2R)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2018-12-21 公開日 2019-03-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
6NGX	Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(2,3-difluoro-5-(3-(methylamino)prop-1-yn-1-yl)phenethyl)-4-methylpyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{2,3-difluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2018-12-21 公開日 2019-03-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.773 Å) 主引用文献 Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
6NGJ	Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-fluoro-5-(3-(methylamino)prop-1-yn-1-yl)phenethyl)-4-methylpyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-fluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2018-12-21 公開日 2019-03-13 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.756 Å) 主引用文献 Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
6NGW	Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(5-(3-(dimethylamino)propyl)-2,3,4-trifluorophenethyl)-4-methylpyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[3-(dimethylamino)propyl]-2,3,4-trifluorophenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2018-12-21 公開日 2019-03-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.858 Å) 主引用文献 Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
6NBL	Cytochrome P450cam-putidaredoxin complex bound to camphor and cyanide 分子名称: 1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione, CALCIUM ION, CAMPHOR, ... 著者 Follmer, A.H, Tripathi, S.M, Poulos, T.L. 登録日 2018-12-07 公開日 2019-03-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Ligand and Redox Partner Binding Generates a New Conformational State in Cytochrome P450cam (CYP101A1). J. Am. Chem. Soc., 141, 2019
6NGP	Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-6-(3-fluoro-5-(2-(1-methylpyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(3-fluoro-5-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2018-12-21 公開日 2019-03-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.976 Å) 主引用文献 Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
6NGV	Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-(3-(dimethylamino)propyl)-2,5,6-trifluorophenethyl)-4-methylpyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)propyl]-2,5,6-trifluorophenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2018-12-21 公開日 2019-03-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.829 Å) 主引用文献 Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
6NLL	1.80 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 14) 分子名称: 4-{[3-(2,4-dihydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... 著者 Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. 登録日 2019-01-08 公開日 2019-05-08 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
6NGQ	Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-fluoro-5-(2-((2R,4S)-4-fluoropyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2018-12-21 公開日 2019-03-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
6NH0	Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-6-(2,3-difluoro-5-(2-(4-methylmorpholin-3-yl)ethyl)phenethyl)-4-methylpyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(2,3-difluoro-5-{2-[(3S)-4-methylmorpholin-3-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2018-12-21 公開日 2019-03-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.898 Å) 主引用文献 Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019

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