8U4W
The crystal structure of a helical domain deleted PARP1 in complex with isoindolinone based inhibitor.
Summary for 8U4W
Entry DOI | 10.2210/pdb8u4w/pdb |
Descriptor | Poly [ADP-ribose] polymerase 1, processed C-terminus, (4M)-4-(2-{4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazine-1-carbonyl}-1-benzofuran-7-yl)-1H-isoindol-1-one (3 entities in total) |
Functional Keywords | parp1, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Homo sapiens (human) More |
Total number of polymer chains | 4 |
Total formula weight | 112752.99 |
Authors | Marcotte, D.J. (deposition date: 2023-09-11, release date: 2024-03-27, Last modification date: 2024-06-26) |
Primary citation | McCarthy, K.A.,Marcotte, D.J.,Parelkar, S.,McKinnon, C.L.,Trammell, L.E.,Stangeland, E.L.,Jetson, R.R. Discovery of Potent Isoindolinone Inhibitors that Target an Active Conformation of PARP1 Using DNA-Encoded Libraries. Chemmedchem, 19:e202400093-e202400093, 2024 Cited by PubMed: 38482564DOI: 10.1002/cmdc.202400093 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (3.02 Å) |
Structure validation
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