5YE5
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5YDZ
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7KPF
| NME2 bound to myristoyl-CoA | 分子名称: | GLYCEROL, MAGNESIUM ION, Nucleoside diphosphate kinase B, ... | 著者 | Price, I.R, Lin, H. | 登録日 | 2020-11-11 | 公開日 | 2022-02-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | A Chemical Proteomic Approach reveals the regulation of NME1/2 and cancer metastasis by Long-Chain Fatty Acyl Coenzyme A To Be Published
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9FDG
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7X28
| MERS-CoV spike complex with S41 neutralizing antibody Fab Class3 (2u1d RBD with 2Fab) | 分子名称: | Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain | 著者 | Zeng, J.W, Zhang, S.Y, Zhou, H.X, Wang, X.W. | 登録日 | 2022-02-25 | 公開日 | 2023-01-18 | 最終更新日 | 2024-10-09 | 実験手法 | ELECTRON MICROSCOPY (2.49 Å) | 主引用文献 | Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein. Front Microbiol, 13, 2022
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3K5D
| Crystal Structure of BACE-1 in complex with AHM178 | 分子名称: | Beta-secretase 1, N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide | 著者 | Rondeau, J.-M. | 登録日 | 2009-10-07 | 公開日 | 2010-05-05 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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3K5G
| Human bace-1 complex with bjc060 | 分子名称: | (1R,3S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(1-methylethyl)benzyl]amino}propyl]-3-[1-methyl-1-(2-oxopiperidin-1-yl)ethyl]cyclohexanecarboxamide, Beta-secretase 1 | 著者 | Rondeau, J.-M. | 登録日 | 2009-10-07 | 公開日 | 2010-05-05 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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7YK2
| Cryo-EM structure of Apo-alpha-syn fibril | 分子名称: | Alpha-synuclein | 著者 | Xu, Q.H, Xia, W.C, Tao, Y.Q, Liu, C. | 登録日 | 2022-07-21 | 公開日 | 2023-03-22 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Conformational Dynamics of an alpha-Synuclein Fibril upon Receptor Binding Revealed by Insensitive Nuclei Enhanced by Polarization Transfer-Based Solid-State Nuclear Magnetic Resonance and Cryo-Electron Microscopy. J.Am.Chem.Soc., 145, 2023
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7YK8
| Cryo-EM structure of dLAG3-alpha-syn fibril | 分子名称: | Alpha-synuclein | 著者 | Xu, Q.H, Xia, W.C, Tao, Y.Q, Liu, C. | 登録日 | 2022-07-22 | 公開日 | 2023-03-22 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Conformational Dynamics of an alpha-Synuclein Fibril upon Receptor Binding Revealed by Insensitive Nuclei Enhanced by Polarization Transfer-Based Solid-State Nuclear Magnetic Resonance and Cryo-Electron Microscopy. J.Am.Chem.Soc., 145, 2023
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7X2A
| MERS-CoV spike complex with S41 neutralizing antibody Fab Class1 (1u2d RBD with 1Fab) | 分子名称: | MERS-CoV Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain | 著者 | Zeng, J.W, Zhang, S.Y, Zhou, H.X, Wang, X.W. | 登録日 | 2022-02-25 | 公開日 | 2022-11-09 | 最終更新日 | 2022-11-23 | 実験手法 | ELECTRON MICROSCOPY (2.49 Å) | 主引用文献 | Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein. Front Microbiol, 13, 2022
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7X26
| S41 neutralizing antibody Fab(MERS-CoV) | 分子名称: | Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain | 著者 | Zeng, J.W, Zhang, S.Y, Wang, X.W. | 登録日 | 2022-02-25 | 公開日 | 2022-11-09 | 最終更新日 | 2024-10-16 | 実験手法 | ELECTRON MICROSCOPY (3.685 Å) | 主引用文献 | Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein. Front Microbiol, 13, 2022
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7X29
| MERS-CoV spike complex with S41 neutralizing antibody Fab Class2 (1u2d RBD with 2Fab) | 分子名称: | Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain | 著者 | Zeng, J.W, Zhang, S.Y, Zhou, H.X, Wang, X.W. | 登録日 | 2022-02-25 | 公開日 | 2022-11-09 | 最終更新日 | 2024-10-09 | 実験手法 | ELECTRON MICROSCOPY (2.49 Å) | 主引用文献 | Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein. Front Microbiol, 13, 2022
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7DA7
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7DAS
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3K5F
| Human BACE-1 COMPLEX WITH AYH011 | 分子名称: | (1R,3S)-3-[1-(acetylamino)-1-methylethyl]-N-[(1S,2S,4R)-1-benzyl-5-(butylamino)-2-hydroxy-4-methyl-5-oxopentyl]cyclohexanecarboxamide, Beta-secretase 1 | 著者 | Rondeau, J.-M. | 登録日 | 2009-10-07 | 公開日 | 2010-05-05 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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7DPI
| Plasmodium falciparum cytoplasmic Phenylalanyl-tRNA synthetase in complex with BRD7929 | 分子名称: | (8R,9S,10S)-10-[(dimethylamino)methyl]-N-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide, MAGNESIUM ION, Phenylalanine--tRNA ligase, ... | 著者 | Manmohan, S, Malhotra, N, Harlos, K, Manickam, Y, Sharma, A. | 登録日 | 2020-12-19 | 公開日 | 2022-03-23 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (3.597 Å) | 主引用文献 | Inhibition of Plasmodium falciparum phenylalanine tRNA synthetase provides opportunity for antimalarial drug development. Structure, 30, 2022
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4LRG
| Structure of BRD4 bromodomain 1 with a dimethyl thiophene isoxazole azepine carboxamide | 分子名称: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide, Bromodomain-containing protein 4 | 著者 | Ravichandran, S, Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S. | 登録日 | 2013-07-19 | 公開日 | 2013-08-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors. ACS Med Chem Lett, 4, 2013
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2F3E
| Crystal Structure of the Bace complex with AXQ093, a macrocyclic inhibitor | 分子名称: | Beta-secretase 1, {(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-1-HYDROXY-BUTYL]-6-METHYL-5, 8-DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-13-EN-9-YL}-CARBAMIC ACID TERT-BUTYL ESTER | 著者 | Rondeau, J.-M. | 登録日 | 2005-11-21 | 公開日 | 2006-09-05 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Structure-based design and synthesis of macroheterocyclic peptidomimetic inhibitors of the aspartic protease beta-site amyloid precursor protein cleaving enzyme (BACE). J.Med.Chem., 49, 2006
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2JRK
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2F3F
| Crystal Structure of the Bace complex with BDF488, a macrocyclic inhibitor | 分子名称: | (2R,4S)-N-BUTYL-4-HYDROXY-2-METHYL- 4-((E)-(4AS,12R,15S,17AS)-15-METHYL -14,17-DIOXO-2,3,4,4A,6,9,11,12,13, 14,15,16,17,17A-TETRADECAHYDRO-1H-5 ,10-DITHIA-1,13,16-TRIAZA-BENZOCYCL OPENTADECEN-12-YL)-BUTYRAMIDE, Beta-secretase 1 | 著者 | Rondeau, J.-M. | 登録日 | 2005-11-21 | 公開日 | 2006-09-05 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-based design and synthesis of macroheterocyclic peptidomimetic inhibitors of the aspartic protease beta-site amyloid precursor protein cleaving enzyme (BACE). J.Med.Chem., 49, 2006
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2GDE
| Thrombin in complex with inhibitor | 分子名称: | (R)-3-((2S,3R)-1-((2S,3AR,5S,6S,7AS)-2-(2-(1-CARBAMIMIDOYL-2,5-DIHYDRO-1H-PYRROL-3-YL)ETHYLCARBAMOYL)-5,6-DIHYDROXYOCTAHYDRO-1H-INDOL-1-YL)-3-CHLORO-4-METHYL-1-OXOPENTAN-2-YLAMINO)-2-METHOXY-3-OXOPROPYL HYDROGEN SULFATE, Hirudin, SODIUM ION, ... | 著者 | Xue, Y. | 登録日 | 2006-03-16 | 公開日 | 2007-03-20 | 最終更新日 | 2013-03-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Total synthesis and structural confirmation of chlorodysinosin A. J.Am.Chem.Soc., 128, 2006
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2HVJ
| Crystal structure of KcsA-Fab-TBA complex in low K+ | 分子名称: | (2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE, NONAN-1-OL, POTASSIUM ION, ... | 著者 | Zhou, Y. | 登録日 | 2006-07-28 | 公開日 | 2007-02-20 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Crystallographic Study of the Tetrabutylammonium Block to the KcsA K(+) Channel. J.Mol.Biol., 366, 2007
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2HVK
| crystal structure of the KcsA-Fab-TBA complex in high K+ | 分子名称: | (2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE, Antibody Fab heavy chain, Antibody Fab light chain, ... | 著者 | Zhou, Y. | 登録日 | 2006-07-28 | 公開日 | 2007-02-20 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystallographic Study of the Tetrabutylammonium Block to the KcsA K(+) Channel. J.Mol.Biol., 366, 2007
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4MJV
| Influenza Neuraminidase in complex with a novel antiviral compound | 分子名称: | (2E,5S,9R,10S)-10-(acetylamino)-2-imino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]dec-6-ene-7-carboxylic acid, CALCIUM ION, Neuraminidase | 著者 | Kerry, P.S. | 登録日 | 2013-09-04 | 公開日 | 2014-01-15 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Serendipitous discovery of a potent influenza virus a neuraminidase inhibitor. Angew.Chem.Int.Ed.Engl., 53, 2014
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4MJU
| Influenza Neuraminidase in complex with a novel antiviral compound | 分子名称: | (5R,9R,10S)-10-(acetylamino)-2-amino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]deca-2,6-diene-7-carboxylic acid, CALCIUM ION, Neuraminidase | 著者 | Kerry, P.S. | 登録日 | 2013-09-04 | 公開日 | 2014-01-15 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Serendipitous discovery of a potent influenza virus a neuraminidase inhibitor. Angew.Chem.Int.Ed.Engl., 53, 2014
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