9BJM
Crystal Structure of Inhibitor 5c in Complex with Prefusion RSV F Glycoprotein
This is a non-PDB format compatible entry.
Summary for 9BJM
| Entry DOI | 10.2210/pdb9bjm/pdb |
| Descriptor | Prefusion RSV F (DS-CAV1),Envelope glycoprotein, 1'-{[5-chloro-1-(4,4,4-trifluorobutyl)-1H-1,3-benzimidazol-2-yl]methyl}-1-(methanesulfonyl)spiro[azetidine-3,3'-indol]-2'(1'H)-one (3 entities in total) |
| Functional Keywords | inhibitor, viral protein, complex, viral protein-inhibitor complex, viral protein/inhibitor |
| Biological source | human respiratory syncytial virus More |
| Total number of polymer chains | 1 |
| Total formula weight | 63745.30 |
| Authors | Shaffer, P.L.,Milligan, C.,Abeywickrema, P. (deposition date: 2024-04-25, release date: 2024-07-10, Last modification date: 2024-11-20) |
| Primary citation | Kesteleyn, B.,Herschke, F.,Darville, N.,Stoops, B.,Jacobs, T.,Jacoby, E.,Shaffer, P.,Lammens, L.,Van Rompaey, D.,Matcha, K.,Martinez Lamenca, C.,Coesemans, E.,Hache, G.,Pieters, S.,Lecomte, M.,Hu, L.,Demin, S.,Milligan, C.,Abeywickrema, P.,De Bruyn, S.,Van Den Berg, J.,Ysebaert, N.,De Zwart, L.,Najera, I.,Rigaux, P.,Roymans, D.,Jonckers, T.H.M. Spiro-Azetidine Oxindoles as Long-Acting Injectables for Pre-Exposure Prophylaxis against Respiratory Syncytial Virus Infections. J.Med.Chem., 67:10986-11002, 2024 Cited by PubMed Abstract: Respiratory syncytial virus (RSV) is a major cause of hospitalization in infants, the elderly, and immune-compromised patients. While a half-life extended monoclonal antibody and 2 vaccines have recently been approved for infants and the elderly, respectively, options to prevent disease in immune-compromised patients are still needed. Here, we describe spiro-azetidine oxindoles as small molecule RSV entry inhibitors displaying favorable potency, developability attributes, and long-acting PK when injected as an aqueous suspension, suggesting their potential to prevent complications following RSV infection over a period of 3 to 6 months with 1 or 2 long-acting intramuscular (IM) or subcutaneous (SC) injections in these immune-compromised patients. PubMed: 38932487DOI: 10.1021/acs.jmedchem.4c00514 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.07 Å) |
Structure validation
Download full validation report
