1MU6

Crystal Structure of Thrombin in Complex with L-378,622

1MU6 の概要

• エントリーDOI: 10.2210/pdb1mu6/pdb
• 関連するPDBエントリー: 1MU8 1MUE
• 分子名称: THROMBIN, HIRUDIN IIB, 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-PYRIDINYL)METHYL]ACETAMIDE, ... (5 entities in total)
• 機能のキーワード: hydrolase, blood clotting, hydrolase-blood clotting complex, hydrolase-hydrolase inhibitor complex, 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 P00734; Secreted: P28506
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 35800.68

構造登録者

Burgey, C.S.,Robinson, K.A.,Lyle, T.A.,Sanderson, P.E.,Lewis, S.D.,Lucas, B.J.,Krueger, J.A.,Singh, R.,Miller-Stein, C.,White, R.B.,Wong, B.,Lyle, E.A.,Williams, P.D.,Coburn, C.A.,Dorsey, B.D.,Barrow, J.C.,Stranieri, M.T.,Holahan, M.A.,Sitko, G.R.,Cook, J.J.,McMasters, D.R.,McDonough, C.M.,Sanders, W.M.,Wallace, A.A.,Clayton, F.C.,Bohn, D.,Leonard, Y.M.,Detwiler Jr., T.J.,Lynch Jr., J.J.,Yan, Y.,Chen, Z.,Kuo, L.,Gardell, S.J.,Shafer, J.A.,Vacca, J.P.J. (登録日: 2002-09-23, 公開日: 2004-04-06, 最終更新日: 2021-07-21)

• 主引用文献: Burgey, C.S.,Robinson, K.A.,Lyle, T.A.,Sanderson, P.E.,Lewis, S.D.,Lucas, B.J.,Krueger, J.A.,Singh, R.,Miller-Stein, C.,White, R.B.,Wong, B.,Lyle, E.A.,Williams, P.D.,Coburn, C.A.,Dorsey, B.D.,Barrow, J.C.,Stranieri, M.T.,Holahan, M.A.,Sitko, G.R.,Cook, J.J.,McMasters, D.R.,McDonough, C.M.,Sanders, W.M.,Wallace, A.A.,Clayton, F.C.,Bohn, D.,Leonard, Y.M.,Detwiler Jr., T.J.,Lynch Jr., J.J.,Yan, Y.,Chen, Z.,Kuo, L.,Gardell, S.J.,Shafer, J.A.,Vacca, J.P.J.; Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines.; J.Med.Chem., 46:461-473, 2003; PubMed: 12570369; DOI: 10.1021/jm020311f

実験手法

X-RAY DIFFRACTION (1.99 Å)