8PBO
Deep interactome learning for generative drug design
Summary for 8PBO
Entry DOI | 10.2210/pdb8pbo/pdb |
Descriptor | Peroxisome proliferator-activated receptor gamma, 3-[2-fluoranyl-4-[3-[2-fluoranyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)phenoxy]propoxy]phenyl]propanoic acid, GLYCEROL, ... (5 entities in total) |
Functional Keywords | nuclear receptor, complex, ligand, nuclear protein |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 2 |
Total formula weight | 64040.04 |
Authors | Hakansson, M.,Focht, D.,Atz, K.,Schneider, G. (deposition date: 2023-06-09, release date: 2024-05-15) |
Primary citation | Atz, K.,Cotos, L.,Isert, C.,Hakansson, M.,Focht, D.,Hilleke, M.,Nippa, D.F.,Iff, M.,Ledergerber, J.,Schiebroek, C.C.G.,Romeo, V.,Hiss, J.A.,Merk, D.,Schneider, P.,Kuhn, B.,Grether, U.,Schneider, G. Prospective de novo drug design with deep interactome learning. Nat Commun, 15:3408-3408, 2024 Cited by PubMed: 38649351DOI: 10.1038/s41467-024-47613-w PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.85 Å) |
Structure validation
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