3BOA
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2VA7
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![BU of 2va7 by Molmil](/molmil-images/mine/2va7) | X-ray crystal structure of beta secretase complexed with compound 27 | 分子名称: | (6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, BETA-SECRETASE 1 ., IODIDE ION | 著者 | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L.L, Patel, S, Spear, N, Tian, G. | 登録日 | 2007-08-30 | 公開日 | 2007-11-13 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency. J.Med.Chem., 50, 2007
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2VA6
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![BU of 2va6 by Molmil](/molmil-images/mine/2va6) | X-ray crystal structure of beta secretase complexed with compound 24 | 分子名称: | (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, BETA SECRETASE 1, IODIDE ION | 著者 | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L.L, Patel, S, Spear, N, Tian, G. | 登録日 | 2007-08-30 | 公開日 | 2007-11-13 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency. J.Med.Chem., 50, 2007
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2VA5
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![BU of 2va5 by Molmil](/molmil-images/mine/2va5) | X-ray crystal structure of beta secretase complexed with compound 8c | 分子名称: | 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one, BETA-SECRETASE 1 ., IODIDE ION | 著者 | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L, Patel, S, Spear, N, Tian, G. | 登録日 | 2007-08-30 | 公開日 | 2007-11-13 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency. J.Med.Chem., 50, 2007
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2B5E
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3H43
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![BU of 3h43 by Molmil](/molmil-images/mine/3h43) | N-terminal domain of the proteasome-activating nucleotidase of Methanocaldococcus jannaschii | 分子名称: | Proteasome-activating nucleotidase | 著者 | Jeffrey, P.D, Zhang, F, Hu, M, Tian, G, Zhang, P, Finley, D, Shi, Y. | 登録日 | 2009-04-17 | 公開日 | 2009-06-09 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural Insights into the Regulatory Particle of the Proteasome from Methanocaldococcus jannaschii. Mol.Cell, 34, 2009
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3H4P
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![BU of 3h4p by Molmil](/molmil-images/mine/3h4p) | Proteasome 20S core particle from Methanocaldococcus jannaschii | 分子名称: | Proteasome subunit alpha, Proteasome subunit beta | 著者 | Jeffrey, P.D, Zhang, F, Hu, M, Tian, G, Zhang, P, Finley, D, Shi, Y. | 登録日 | 2009-04-20 | 公開日 | 2009-06-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (4.1 Å) | 主引用文献 | Structural Insights into the Regulatory Particle of the Proteasome from Methanocaldococcus jannaschii. Mol.Cell, 34, 2009
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3H4M
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![BU of 3h4m by Molmil](/molmil-images/mine/3h4m) | AAA ATPase domain of the proteasome- activating nucleotidase | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Proteasome-activating nucleotidase | 著者 | Jeffrey, P, Zhang, F, Hu, M, Tian, G, Zhang, P, Finley, D, Shi, Y. | 登録日 | 2009-04-20 | 公開日 | 2009-06-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.106 Å) | 主引用文献 | Structural Insights into the Regulatory Particle of the Proteasome from Methanocaldococcus jannaschii. Mol.Cell, 34, 2009
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7BV1
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![BU of 7bv1 by Molmil](/molmil-images/mine/7bv1) | Cryo-EM structure of the apo nsp12-nsp7-nsp8 complex | 分子名称: | Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ... | 著者 | Yin, W, Mao, C, Luan, X, Shen, D, Shen, Q, Su, H, Wang, X, Zhou, F, Zhao, W, Gao, M, Chang, S, Xie, Y.C, Tian, G, Jiang, H.W, Tao, S.C, Shen, J, Jiang, Y, Jiang, H, Xu, Y, Zhang, S, Zhang, Y, Xu, H.E. | 登録日 | 2020-04-09 | 公開日 | 2020-04-22 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir. Science, 368, 2020
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7BV2
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![BU of 7bv2 by Molmil](/molmil-images/mine/7bv2) | The nsp12-nsp7-nsp8 complex bound to the template-primer RNA and triphosphate form of Remdesivir(RTP) | 分子名称: | MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ... | 著者 | Yin, W, Mao, C, Luan, X, Shen, D, Shen, Q, Su, H, Wang, X, Zhou, F, Zhao, W, Gao, M, Chang, S, Xie, Y.C, Tian, G, Jiang, H.W, Tao, S.C, Shen, J, Jiang, Y, Jiang, H, Xu, Y, Zhang, S, Zhang, Y, Xu, H.E. | 登録日 | 2020-04-09 | 公開日 | 2020-04-22 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir. Science, 368, 2020
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4AJG
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![BU of 4ajg by Molmil](/molmil-images/mine/4ajg) | Identification and structural characterization of PDE10 fragment inhibitors | 分子名称: | CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, MAGNESIUM ION, ... | 著者 | Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S. | 登録日 | 2012-02-16 | 公開日 | 2013-03-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Identification and Structural Characterization of Pde10 Fragment Inhibitors To be Published
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4AJF
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![BU of 4ajf by Molmil](/molmil-images/mine/4ajf) | Identification and structural characterization of PDE10 fragment inhibitors | 分子名称: | CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, MAGNESIUM ION, ... | 著者 | Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S. | 登録日 | 2012-02-16 | 公開日 | 2013-03-06 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Identification and Structural Characterization of Pde10 Fragment Inhibitors To be Published
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4AJM
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![BU of 4ajm by Molmil](/molmil-images/mine/4ajm) | Development of a plate-based optical biosensor methodology to identify PDE10 fragment inhibitors | 分子名称: | 3-AMINO-6-FLUORO-2-[4-(2-METHYLPYRIDIN-4-YL)PHENYL]-N-(METHYLSULFONYL)QUINOLINE-4-CARBOXAMIDE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ... | 著者 | Geschwindner, S, Johansson, P, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Albert, J.S. | 登録日 | 2012-02-16 | 公開日 | 2013-03-06 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Development of a Plate-Based Optical Biosensor Methodology to Identify Pde10 Fragment Inhibitors To be Published
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4AJD
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![BU of 4ajd by Molmil](/molmil-images/mine/4ajd) | Identification and structural characterization of PDE10 fragment inhibitors | 分子名称: | 2-ETHYL-4-METHYL-PHTHALAZIN-1-ONE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ... | 著者 | Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S. | 登録日 | 2012-02-16 | 公開日 | 2013-03-06 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Identification and Structural Characterization of Pde10 Fragment Inhibitors To be Published
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5LP6
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![BU of 5lp6 by Molmil](/molmil-images/mine/5lp6) | Crystal structure of Tubulin-Stathmin-TTL-Thiocolchicine Complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | 著者 | Marangon, J, Christodoulou, M, Casagrande, F, Tiana, G, Dalla Via, L, Aliverti, A, Passarella, D, Cappelletti, G, Ricagno, S. | 登録日 | 2016-08-11 | 公開日 | 2016-09-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Tools for the rational design of bivalent microtubule-targeting drugs. Biochem. Biophys. Res. Commun., 479, 2016
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4D56
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![BU of 4d56 by Molmil](/molmil-images/mine/4d56) | Understanding bi-specificity of A-domains | 分子名称: | ADENOSINE MONOPHOSPHATE, APNAA1, GLYCEROL, ... | 著者 | Kaljunen, H, Schiefelbein, S.H.H, Stummer, D, Kozak, S, Meijers, R, Christiansen, G, Rentmeister, A. | 登録日 | 2014-11-03 | 公開日 | 2015-07-01 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural Elucidation of the Bispecificity of a Domains as a Basis for Activating Non-Natural Amino Acids. Angew.Chem.Int.Ed.Engl., 54, 2015
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4D4I
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![BU of 4d4i by Molmil](/molmil-images/mine/4d4i) | Understanding bi-specificity of A-domains | 分子名称: | APNAA1, ARGININE, GLYCEROL, ... | 著者 | Kaljunen, H, Schiefelbein, S.H.H, Stummer, D, Kozak, S, Meijers, R, Christiansen, G, Rentmeister, A. | 登録日 | 2014-10-29 | 公開日 | 2015-07-01 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Elucidation of the Bispecificity of a Domains as a Basis for Activating Non-Natural Amino Acids. Angew.Chem.Int.Ed.Engl., 54, 2015
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4D4G
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![BU of 4d4g by Molmil](/molmil-images/mine/4d4g) | Understanding bi-specificity of A-domains | 分子名称: | APNAA1, GLYCEROL, MAGNESIUM ION, ... | 著者 | Kaljunen, H, Schiefelbein, S.H.H, Stummer, D, Kozak, S, Meijers, R, Christiansen, G, Rentmeister, A. | 登録日 | 2014-10-29 | 公開日 | 2015-07-01 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structural Elucidation of the Bispecificity of a Domains as a Basis for Activating Non-Natural Amino Acids. Angew.Chem.Int.Ed.Engl., 54, 2015
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4D57
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![BU of 4d57 by Molmil](/molmil-images/mine/4d57) | Understanding bi-specificity of A-domains | 分子名称: | ADENOSINE MONOPHOSPHATE, APNA A1, ARGININE, ... | 著者 | Kaljunen, H, Schiefelbein, S.H.H, Stummer, D, Kozak, S, Meijers, R, Christiansen, G, Rentmeister, A. | 登録日 | 2014-11-03 | 公開日 | 2015-07-01 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Elucidation of the Bispecificity of a Domains as a Basis for Activating Non-Natural Amino Acids. Angew.Chem.Int.Ed.Engl., 54, 2015
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4D4H
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![BU of 4d4h by Molmil](/molmil-images/mine/4d4h) | Understanding bi-specificity of A-domains | 分子名称: | APNAA1, GLYCEROL | 著者 | Kaljunen, H, Schiefelbein, S.H.H, Stummer, D, Kozak, S, Meijers, R, Christiansen, G, Rentmeister, A. | 登録日 | 2014-10-29 | 公開日 | 2015-07-01 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.019 Å) | 主引用文献 | Structural Elucidation of the Bispecificity of a Domains as a Basis for Activating Non-Natural Amino Acids. Angew.Chem.Int.Ed.Engl., 54, 2015
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