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: 38649351 DOI: 10.1038/s41467-024-47613-w PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.85 Å)

Structure validation