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-Structure paper
タイトル | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 63, Page 8088-8113, Year 2020 |
掲載日 | 2019年10月22日 (構造データの登録日) |
![]() | Lorthiois, E. / Roache, J. / Barnes-Seeman, D. / Altmann, E. / Hassiepen, U. / Turner, G. / Duvadie, R. / Hornak, V. / Karki, R.G. / Schiering, N. ...Lorthiois, E. / Roache, J. / Barnes-Seeman, D. / Altmann, E. / Hassiepen, U. / Turner, G. / Duvadie, R. / Hornak, V. / Karki, R.G. / Schiering, N. / Weihofen, W.A. / Perruccio, F. / Calhoun, A. / Fazal, T. / Dedic, D. / Durand, C. / Dussauge, S. / Fettis, K. / Tritsch, F. / Dentel, C. / Druet, A. / Liu, D. / Kirman, L. / Lachal, J. / Namoto, K. / Bevan, D. / Mo, R. / Monnet, G. / Muller, L. / Zessis, R. / Huang, X. / Lindsley, L. / Currie, T. / Chiu, Y.H. / Fridrich, C. / Delgado, P. / Wang, S. / Hollis-Symynkywicz, M. / Berghausen, J. / Williams, E. / Liu, H. / Liang, G. / Kim, H. / Hoffmann, P. / Hein, A. / Ramage, P. / D'Arcy, A. / Harlfinger, S. / Renatus, M. / Ruedisser, S. / Feldman, D. / Elliott, J. / Sedrani, R. / Maibaum, J. / Adams, C.M. |
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手法 | X線回折 |
解像度 | 1.17 - 2.63 Å |
構造データ | ![]() PDB-6t7p: ![]() PDB-6ts4: ![]() PDB-6ts5: ![]() PDB-6ts6: ![]() PDB-6ts7: ![]() PDB-6usy: |
化合物 | ![]() ChemComp-GSH: ![]() ChemComp-DMS: ![]() ChemComp-PO4: ![]() ChemComp-GOL: ![]() ChemComp-MU8: ![]() ChemComp-HOH: ![]() ChemComp-SO4: ![]() ChemComp-NA: ![]() ChemComp-J7B: ![]() ChemComp-NW2: ![]() ChemComp-NW5: ![]() ChemComp-NWE: ![]() ChemComp-QGS: |
由来 |
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![]() | HYDROLASE / S1 protease / serine protease / structure-based drug design / active site directed inhibitor / OTHER |