8TNC

De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo niraparib

Summary for 8TNC

Entry DOI	10.2210/pdb8tnc/pdb
Descriptor	De novo designed protein, 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide (3 entities in total)
Functional Keywords	drug binding, 4-helix bundle, de novo design, parpi, de novo protein
Biological source	synthetic construct
Total number of polymer chains	3
Total formula weight	49573.00
Authors	Lu, L.,DeGrado, W.F. (deposition date: 2023-08-01, release date: 2024-04-24)
Primary citation	Lu, L.,Gou, X.,Tan, S.K.,Mann, S.I.,Yang, H.,Zhong, X.,Gazgalis, D.,Valdiviezo, J.,Jo, H.,Wu, Y.,Diolaiti, M.E.,Ashworth, A.,Polizzi, N.F.,DeGrado, W.F. De novo design of drug-binding proteins with predictable binding energy and specificity. Science, 384:106-112, 2024 Cited by PubMed: 38574125 DOI: 10.1126/science.adl5364 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.4 Å)

Structure validation