4uib | pdb_00004uib

Crystal structure of 3p in complex with tafCPB

spinqualitylabelsall models 4uib, resolution 1.94Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4uib is a 1 chain structure. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: ACT, GOL, GWX, ZN Related: 4uia Activity: Carboxypeptidase B, with EC number 3.4.17.2 Resources: FirstGlance, OCA, RCSB, PDBsum Publication Abstract from PubMed Anabaenopeptins isolated from cyanobacteria were identified as inhibitors of carboxypeptidase TAFIa. Cocrystal structures of these macrocyclic natural product inhibitors in a modified porcine carboxypeptidase B revealed their binding mode and provided the basis for the rational design of small molecule inhibitors with a previously unknown central urea motif. Optimization based on these design concepts allowed for a rapid evaluation of the SAR and delivered potent small molecule inhibitors of TAFIa with a promising overall profile. Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa) from Natural Product Anabaenopeptin.,Halland N, Bronstrup M, Czech J, Czechtizky W, Evers A, Follmann M, Kohlmann M, Schiell M, Kurz M, Schreuder HA, Kallus C J Med Chem. 2015 May 20. PMID:25990761 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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