4UIB
Crystal structure of 3p in complex with tafCPB
Summary for 4UIB
| Entry DOI | 10.2210/pdb4uib/pdb |
| Related | 4UIA |
| Descriptor | CARBOXYPEPTIDASE B, ZINC ION, ACETATE ION, ... (6 entities in total) |
| Functional Keywords | hydrolase, tafi, thrombosis, fibrinolysis, drug discovery |
| Biological source | SUS SCROFA (PIG) |
| Cellular location | Secreted : P09955 |
| Total number of polymer chains | 1 |
| Total formula weight | 35962.28 |
| Authors | Halland, N.,Broenstrup, M.,Czech, J.,Czechtizky, W.,Evers, A.,Follmann, M.,Kohlmann, M.,Schiell, M.,Kurz, M.,Schreuder, H.A.,Kallus, C. (deposition date: 2015-03-27, release date: 2015-06-03, Last modification date: 2024-10-09) |
| Primary citation | Halland, N.,Bronstrup, M.,Czech, J.,Czechtizky, W.,Evers, A.,Follmann, M.,Kohlmann, M.,Schiell, M.,Kurz, M.,Schreuder, H.A.,Kallus, C. Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (Tafia) from Natural Product Anabaenopeptin. J.Med.Chem., 58:4839-, 2015 Cited by PubMed Abstract: 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. PubMed: 25990761DOI: 10.1021/JM501840B PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.94 Å) |
Structure validation
Download full validation report
