3U6I
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![BU of 3u6i by Molmil](/molmil-images/mine/3u6i) | |
3U6H
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![BU of 3u6h by Molmil](/molmil-images/mine/3u6h) | Crystal structure of c-Met in complex with pyrazolone inhibitor 26 | 分子名称: | Hepatocyte growth factor receptor, N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide | 著者 | Bellon, S.F, Whittington, D.A, Long, A.L. | 登録日 | 2011-10-12 | 公開日 | 2012-02-22 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives. J.Med.Chem., 55, 2012
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5UYU
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![BU of 5uyu by Molmil](/molmil-images/mine/5uyu) | Crystal structure of BACE1 in complex with 2-aminooxazoline-3-azaxanthene compound 12 | 分子名称: | (5S)-3-(3,6-dihydro-2H-pyran-4-yl)-7-[5-(prop-1-yn-1-yl)pyridin-3-yl]-5'H-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ... | 著者 | Whittington, D.A, Long, A.M, Sickmier, E.A. | 登録日 | 2017-02-24 | 公開日 | 2017-05-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Development of 2-aminooxazoline 3-azaxanthene beta-amyloid cleaving enzyme (BACE) inhibitors with improved selectivity against Cathepsin D. Medchemcomm, 8, 2017
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5I3V
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![BU of 5i3v by Molmil](/molmil-images/mine/5i3v) | |
5I3W
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![BU of 5i3w by Molmil](/molmil-images/mine/5i3w) | |
4XYF
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![BU of 4xyf by Molmil](/molmil-images/mine/4xyf) | Crystal structure of c-Met in complex with (S)-5-(8-fluoro-3-(1-(3-(2-methoxyethoxy)quinolin-6-yl)ethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methylisoxazole | 分子名称: | 6-{(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-(2-methoxyethoxy)quinoline, Hepatocyte growth factor receptor | 著者 | Whittington, D.A, Long, A.M. | 登録日 | 2015-02-02 | 公開日 | 2015-03-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Discovery of Potent and Selective 8-Fluorotriazolopyridine c-Met Inhibitors. J.Med.Chem., 58, 2015
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5I3X
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![BU of 5i3x by Molmil](/molmil-images/mine/5i3x) | Crystal structure of BACE1 in complex with aminoquinoline inhibitor 6 | 分子名称: | Beta-secretase 1, GLYCEROL, N-(1-{3-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]prop-2-yn-1-yl}cyclopropyl)-4-fluorobenzamide | 著者 | Whittington, D.A, Long, A.M. | 登録日 | 2016-02-11 | 公開日 | 2016-03-30 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase. J.Med.Chem., 59, 2016
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4KE1
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![BU of 4ke1 by Molmil](/molmil-images/mine/4ke1) | Crystal structure of BACE1 in complex with hydroxyethylamine-macrocyclic inhibitor 19 | 分子名称: | (12S)-12-[(1R)-2-{[(4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-1,13-diazatricyclo[13.3.1.1~6,10~]icosa-6(20),7,9,15(19),16-pentaene-14,18-dione, Beta-Secretase 1, GLYCEROL, ... | 著者 | Whittington, D.A, Long, A.M, Li, V. | 登録日 | 2013-04-25 | 公開日 | 2013-07-03 | 最終更新日 | 2013-07-17 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity. Bioorg.Med.Chem.Lett., 23, 2013
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5I3Y
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![BU of 5i3y by Molmil](/molmil-images/mine/5i3y) | |
4KE0
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![BU of 4ke0 by Molmil](/molmil-images/mine/4ke0) | Crystal structure of BACE1 in complex with hydroxyethylamine-macrocyclic inhibitor 13 | 分子名称: | (3S)-3-[(1R)-2-{[(4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[10.3.1]hexadeca-1(16),12,14-trien-5-one, Beta-secretase 1, GLYCEROL, ... | 著者 | Whittington, D.A, Long, A.M, Li, V. | 登録日 | 2013-04-25 | 公開日 | 2013-07-03 | 最終更新日 | 2013-07-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity. Bioorg.Med.Chem.Lett., 23, 2013
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5EYC
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![BU of 5eyc by Molmil](/molmil-images/mine/5eyc) | Crystal structure of c-Met in complex with naphthyridinone inhibitor 5 | 分子名称: | 6-[(1~{R})-1-[8-fluoranyl-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one, Hepatocyte growth factor receptor | 著者 | Whittington, D.A, Long, A.M. | 登録日 | 2015-11-24 | 公開日 | 2016-02-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of (R)-6-(1-(8-Fluoro-6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl)-3-(2-methoxyethoxy)-1,6-naphthyridin-5(6H)-one (AMG 337), a Potent and Selective Inhibitor of MET with High Unbound Target Coverage and Robust In Vivo Antitumor Activity. J.Med.Chem., 59, 2016
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5EYD
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![BU of 5eyd by Molmil](/molmil-images/mine/5eyd) | Crystal structure of c-Met in complex with AMG 337 | 分子名称: | 6-[(1~{R})-1-[8-fluoranyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one, Hepatocyte growth factor receptor | 著者 | Whittington, D.A, Long, A.M. | 登録日 | 2015-11-24 | 公開日 | 2016-02-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Discovery of (R)-6-(1-(8-Fluoro-6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl)-3-(2-methoxyethoxy)-1,6-naphthyridin-5(6H)-one (AMG 337), a Potent and Selective Inhibitor of MET with High Unbound Target Coverage and Robust In Vivo Antitumor Activity. J.Med.Chem., 59, 2016
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4RCE
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![BU of 4rce by Molmil](/molmil-images/mine/4rce) | Crystal structure of BACE1 in complex with aminooxazoline xanthene inhibitor 2 | 分子名称: | (4S)-2'-(2,2-dimethylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine, Beta-secretase 1, IODIDE ION | 著者 | Whittington, D.A, Long, A.M. | 登録日 | 2014-09-15 | 公開日 | 2014-12-24 | 最終更新日 | 2015-01-14 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Lead Optimization and Modulation of hERG Activity in a Series of Aminooxazoline Xanthene beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE1) Inhibitors. J.Med.Chem., 57, 2014
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4RCD
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![BU of 4rcd by Molmil](/molmil-images/mine/4rcd) | Crystal structure of BACE1 in complex with a 2-aminooxazoline 4-azaxanthene inhibitor | 分子名称: | (5S)-7-(2-fluoropyridin-3-yl)-3-[(3-methyloxetan-3-yl)ethynyl]spiro[chromeno[2,3-b]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ... | 著者 | Whittington, D.A, Long, A.M. | 登録日 | 2014-09-15 | 公開日 | 2015-01-21 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Inhibitors of beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE1): Identification of (S)-7-(2-Fluoropyridin-3-yl)-3-((3-methyloxetan-3-yl)ethynyl)-5'H-spiro[chromeno[2,3-b]pyridine-5,4'-oxazol]-2'-amine (AMG-8718). J.Med.Chem., 57, 2014
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4RCF
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![BU of 4rcf by Molmil](/molmil-images/mine/4rcf) | Crystal structure of BACE1 in complex with 2-aminooxazoline 4-fluoroxanthene inhibitor 49 | 分子名称: | (4S)-2'-(3,6-dihydro-2H-pyran-4-yl)-4'-fluoro-7'-(2-fluoropyridin-3-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine, Beta-secretase 1, GLYCEROL, ... | 著者 | Whittington, D.A, Long, A.M. | 登録日 | 2014-09-15 | 公開日 | 2014-12-24 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Lead Optimization and Modulation of hERG Activity in a Series of Aminooxazoline Xanthene beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE1) Inhibitors. J.Med.Chem., 57, 2014
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4DEH
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![BU of 4deh by Molmil](/molmil-images/mine/4deh) | Crystal structure of c-Met in complex with triazolopyridinone inhibitor 3 | 分子名称: | 5-phenyl-3-(quinolin-6-ylmethyl)-3,5,6,7-tetrahydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one, Hepatocyte growth factor receptor | 著者 | Whittington, D.A, Bellon, S.F, Long, A.M. | 登録日 | 2012-01-20 | 公開日 | 2012-05-30 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery and optimization of a potent and selective triazolopyridinone series of c-Met inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4DI2
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![BU of 4di2 by Molmil](/molmil-images/mine/4di2) | Crystal structure of BACE1 in complex with hydroxyethylamine inhibitor 37 | 分子名称: | (2R)-N-{(2S,3R)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl}-2-methoxypropanamide, Beta-secretase 1, GLYCEROL | 著者 | Whittington, D.A, Long, A.M. | 登録日 | 2012-01-30 | 公開日 | 2012-10-10 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design and synthesis of potent, orally efficacious hydroxyethylamine derived beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors. J.Med.Chem., 55, 2012
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4DEI
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![BU of 4dei by Molmil](/molmil-images/mine/4dei) | Crystal structure of c-Met in complex with triazolopyridinone inhibitor 24 | 分子名称: | 3-{(1S)-1-[3-(2-methoxyethoxy)quinolin-6-yl]ethyl}-5-(3-methyl-1,2-thiazol-5-yl)-3,5-dihydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one, Hepatocyte growth factor receptor | 著者 | Whittington, D.A, Long, A.M. | 登録日 | 2012-01-20 | 公開日 | 2012-05-30 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Discovery and optimization of a potent and selective triazolopyridinone series of c-Met inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4DEG
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![BU of 4deg by Molmil](/molmil-images/mine/4deg) | Crystal structure of c-Met in complex with triazolopyridazine inhibitor 2 | 分子名称: | 7-methoxy-N-{[6-(3-methyl-1,2-thiazol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-1,5-naphthyridin-4-amine, Hepatocyte growth factor receptor | 著者 | Whittington, D.A, Bellon, S.F, Long, A.M. | 登録日 | 2012-01-20 | 公開日 | 2012-05-30 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery and optimization of a potent and selective triazolopyridinone series of c-Met inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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