6TS6

Coagulation factor XI protease domain in complex with active site inhibitor

6TS6 の概要

• エントリーDOI: 10.2210/pdb6ts6/pdb
• 関連するPDBエントリー: 6T7P 6TS4 6TS5
• 分子名称: Coagulation factor XI, SULFATE ION, DIMETHYL SULFOXIDE, ... (5 entities in total)
• 機能のキーワード: s1 protease, serine protease, structure-based drug design, active site directed inhibitor, hydrolase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 27821.59

構造登録者

Renatus, M.,Schiering, N. (登録日: 2019-12-20, 公開日: 2020-07-08, 最終更新日: 2020-08-26)

• 主引用文献: 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.; Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.; J.Med.Chem., 63:8088-8113, 2020; PubMed: 32551603; DOI: 10.1021/acs.jmedchem.0c00279

実験手法

X-RAY DIFFRACTION (1.33 Å)