9QWE
X-ray structure of furin (PCSK3) in complex with the biphenyl-derived compound 27 (mi2471)
This is a non-PDB format compatible entry.
Summary for 9QWE
| Entry DOI | 10.2210/pdb9qwe/pdb |
| Descriptor | Furin, ~{N}-[[1-[[3-[3,5-bis(chloranyl)phenyl]-5-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]methyl]ethanamide, CALCIUM ION, ... (8 entities in total) |
| Functional Keywords | furin, proprotein convertase subtilisin/kexin type 3, pcsk3, antiviral, inhibitor, protease, complex, hydrolase |
| Biological source | Homo sapiens (human) |
| Total number of polymer chains | 1 |
| Total formula weight | 53892.82 |
| Authors | |
| Primary citation | Lange, R.W.,Boller, C.,Loresch, M.,Bloch, K.,Bottcher-Friebertshauser, E.,Brandstetter, H.,Dahms, S.O.,Steinmetzer, T. Design, Synthesis, and Characterization of Dichlorobiphenyl-Derived Inhibitors of the Proprotein Convertase Furin. J.Med.Chem., 68:25157-25170, 2025 Cited by PubMed Abstract: The proprotein convertase (PC) furin emerged as promising drug target for the treatment of numerous infectious diseases, cancer and cystic fibrosis. A recently described nonpeptidic lead structure served as template to develop a new series of PC inhibitors containing a dichlorobiphenyl-derived core segment decorated with a left and right inhibitor arm. The compounds were tested for their inhibitory potency against furin and the structurally related PC7. The most potent compounds inhibited furin with values <5 nM, whereas most of them were significantly weaker inhibitors of PC7. Only for one compound, a significant potency with a value of 7.3 nM against PC7 was found. Furthermore, crystal structures of six inhibitors in complex with furin were determined. Selected inhibitors were additionally tested for their antiviral potency against the furin-dependent H7N7 influenza A strain SC35M; a significant antiviral potency was found for compound . PubMed: 41319212DOI: 10.1021/acs.jmedchem.5c02157 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.6 Å) |
Structure validation
Download full validation report
