1mu6: Difference between revisions
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'''Crystal Structure of Thrombin in Complex with L-378,622'''<br /> | '''Crystal Structure of Thrombin in Complex with L-378,622'''<br /> | ||
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==About this Structure== | ==About this Structure== | ||
1MU6 is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with CDA as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Thrombin Thrombin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.5 3.4.21.5] Full crystallographic information is available from [http:// | 1MU6 is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=CDA:'>CDA</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Thrombin Thrombin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.5 3.4.21.5] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1MU6 OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: hydrolase]] | [[Category: hydrolase]] | ||
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Revision as of 17:25, 15 February 2008
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Crystal Structure of Thrombin in Complex with L-378,622
OverviewOverview
Recent efforts in the field of thrombin inhibitor research have focused on, the identification of compounds with good oral bioavailability and, pharmacokinetics. In this manuscript we describe a metabolism-based, approach to the optimization of the, 3-(2-phenethylamino)-6-methylpyrazinone acetamide template (e.g., 1) which, resulted in the modification of each of the three principal components, (i.e., P1, P2, P3) comprising this series. As a result of these studies, several potent thrombin inhibitors (e.g., 20, 24, 25) were identified, which exhibit high levels of oral bioavailability and long plasma, half-lives.
DiseaseDisease
Known diseases associated with this structure: Dysprothrombinemia OMIM:[176930], Hyperprothrombinemia OMIM:[176930], Hypoprothrombinemia OMIM:[176930]
About this StructureAbout this Structure
1MU6 is a Protein complex structure of sequences from Homo sapiens with as ligand. Active as Thrombin, with EC number 3.4.21.5 Full crystallographic information is available from OCA.
ReferenceReference
Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines., Burgey CS, Robinson KA, Lyle TA, Sanderson PE, Lewis SD, Lucas BJ, Krueger JA, Singh R, Miller-Stein C, White RB, Wong B, Lyle EA, Williams PD, Coburn CA, Dorsey BD, Barrow JC, Stranieri MT, Holahan MA, Sitko GR, Cook JJ, McMasters DR, McDonough CM, Sanders WM, Wallace AA, Clayton FC, Bohn D, Leonard YM, Detwiler TJ Jr, Lynch JJ Jr, Yan Y, Chen Z, Kuo L, Gardell SJ, Shafer JA, Vacca JP, J Med Chem. 2003 Feb 13;46(4):461-73. PMID:12570369
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Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)
OCA- Pages with broken file links
- Homo sapiens
- Protein complex
- Thrombin
- Barrow, J.C.
- Bohn, D.
- Burgey, C.S.
- Chen, Z.
- Clayton, F.C.
- Coburn, C.A.
- Cook, J.J.
- Dorsey, B.D.
- Gardell, S.J.
- Holahan, M.A.
- Jr., J.J.Lynch.
- Jr., T.J.Detwiler.
- Krueger, J.A.
- Kuo, L.
- Leonard, Y.M.
- Lewis, S.D.
- Lucas, B.J.
- Lyle, E.A.
- Lyle, T.A.
- McDonough, C.M.
- McMasters, D.R.
- Miller-Stein, C.
- Robinson, K.A.
- Sanders, W.M.
- Sanderson, P.E.
- Shafer, J.A.
- Singh, R.
- Sitko, G.R.
- Stranieri, M.T.
- Vacca, J.P.J.
- Wallace, A.A.
- White, R.B.
- Williams, P.D.
- Wong, B.
- Yan, Y.
- CDA
- Blood clotting
- Hydrolase