1zml

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Revision as of 18:30, 12 November 2007

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spinqualitylabelsall models 1zml, resolution 2.25Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

Crystal Structure of the Catalytic Domain of Factor XI in complex with (R)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenethyl)guanidine

Contents 1 Overview 2 Disease 3 About this Structure 4 Reference

Overview

A series of functionalized aryl boronic acids were synthesized and, evaluated as potential inhibitors of factor XIa. Crystal structures of the, protein-inhibitor complexes led to the design and synthesis of second, generation compounds showing single digit micromolar inhibition against, FXIa and selectivity against thrombin, trypsin, and FXa.

Disease

Known diseases associated with this structure: Factor XI deficiency, autosomal dominant OMIM:[264900], Factor XI deficiency, autosomal recessive OMIM:[264900]

About this Structure

1ZML is a Single protein structure of sequence from Homo sapiens with SO4, BCT and 412 as ligands. Active as Coagulation factor XIa, with EC number 3.4.21.27 Full crystallographic information is available from OCA.

Reference

Synthesis and in vitro biological evaluation of aryl boronic acids as potential inhibitors of factor XIa., Lazarova TI, Jin L, Rynkiewicz M, Gorga JC, Bibbins F, Meyers HV, Babine R, Strickler J, Bioorg Med Chem Lett. 2006 Oct 1;16(19):5022-7. Epub 2006 Jul 28. PMID:16876411

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