1SL3

crystal structue of Thrombin in complex with a potent P1 heterocycle-Aryl based inhibitor

1SL3 の概要

• エントリーDOI: 10.2210/pdb1sl3/pdb
• 分子名称: thrombin, Hirudin, (2-[6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}-2-OXOPYRAZIN-1(2H)-YL]-N-[5-CHLORO-2-(1H-TETRAZOL-1-YL)BENZYL]ACETAMIDE, ... (4 entities in total)
• 機能のキーワード: thrombin inhibitor complex, blood clotting, hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Homo sapiens (human); 詳細
• 細胞内の位置: Secreted, extracellular space: P00734; Secreted: P28504
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 35066.76

構造登録者

Young, M.B.,Barrow, J.C.,Glass, K.L.,Lundell, G.F.,Newton, C.L.,Pellicore, J.M.,Rittle, K.E.,Selnick, H.G.,Stauffer, K.J.,Vacca, J.P.,Williams, P.D.,Bohn, D.,Clayton, F.C.,Cook, J.J.,Krueger, J.A.,Kuo, L.C.,Lewis, S.D.,Lucas, B.J.,McMasters, D.R.,Miller-Stein, C.,Pietrak, B.L. (登録日: 2004-03-05, 公開日: 2004-08-03, 最終更新日: 2017-10-11)

• 主引用文献: Young, M.B.,Barrow, J.C.,Glass, K.L.,Lundell, G.F.,Newton, C.L.,Pellicore, J.M.,Rittle, K.E.,Selnick, H.G.,Stauffer, K.J.,Vacca, J.P.,Williams, P.D.,Bohn, D.,Clayton, F.C.,Cook, J.J.,Krueger, J.A.,Kuo, L.C.,Lewis, S.D.,Lucas, B.J.,McMasters, D.R.,Miller-Stein, C.,Pietrak, B.L.; Discovery and evaluation of potent P1 aryl heterocycle-based thrombin inhibitors; J.Med.Chem., 47:2995-3008, 2004; PubMed: 15163182; DOI: 10.1021/jm030303e

実験手法

X-RAY DIFFRACTION (1.81 Å)