1MUE

Thrombin-Hirugen-L405,426

Summary for 1MUE

• Entry DOI: 10.2210/pdb1mue/pdb
• Related: 1mu6 1mu8
• Descriptor: THROMBIN, HIRUDIN IIB, 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE, ... (5 entities in total)
• Functional Keywords: alpha thrombin-hirugen, blood clotting complex, hydrolase inhibitor complex, hydrolase inhibitor
• Biological source: Homo sapiens (human); More
• Cellular location: Secreted, extracellular space: P00734 P00734; Secreted: P28506
• Total number of polymer chains: 3
• Total formula weight: 35836.11

Authors

Burgey, C.S.,Robinson, K.A.,Lyle, T.A.,Nantermet, P.G.,Selnick, H.G.,Isaacs, R.C.,Lewis, S.D.,Lucas, B.J.,Krueger, J.A.,Singh, R.,Miller-Stein, C.,White, R.B.,Wong, B.,Lyle, E.A.,Stranieri, M.T.,Cook, J.J.,McMasters, D.R.,Pellicore, J.M.,Pal, S.,Wallace, A.A.,Clayton, F.C.,Bohn, D.,Welsh, D.C.,Lynch, J.J.,Yan, Y.,Chen, Z.,Kuo, L.,Gardell, S.J.,Shafer, J.A.,Vacca, J.P. (deposition date: 2002-09-23, release date: 2004-04-06, Last modification date: 2013-03-13)

• Primary citation: Burgey, C.S.,Robinson, K.A.,Lyle, T.A.,Nantermet, P.G.,Selnick, H.G.,Isaacs, R.C.,Lewis, S.D.,Lucas, B.J.,Krueger, J.A.,Singh, R.,Miller-Stein, C.,White, R.B.,Wong, B.,Lyle, E.A.,Stranieri, M.T.,Cook, J.J.,McMasters, D.R.,Pellicore, J.M.,Pal, S.,Wallace, A.A.,Clayton, F.C.,Bohn, D.,Welsh, D.C.,Lynch, J.J.,Yan, Y.,Chen, Z.,Kuo, L.,Gardell, S.J.,Shafer, J.A.,Vacca, J.P.; Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. Implementation of P3 pyridine N-oxides to deliver an orally bioavailable series containing P1 N-benzylamides.; Bioorg.Med.Chem.Lett., 13:1353-1357, 2003; PubMed: 12657281; DOI: 10.1016/S0960-894X(03)00099-4

Experimental method

X-RAY DIFFRACTION (2 Å)