5HA9

Crystal structure-based design and disovery of a novel PARP1 antiagonist (BL-PA10) that induces apoptosis and inhibits metastasis in triple negative breast cancer

Summary for 5HA9

Entry DOI	10.2210/pdb5ha9/pdb
Descriptor	Poly [ADP-ribose] polymerase 1, GLYCEROL, SULFATE ION, ... (4 entities in total)
Functional Keywords	inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	79694.08
Authors	Fu, L.,Peng, H.,Zhang, L.,Ouyang, L. (deposition date: 2015-12-30, release date: 2016-03-09, Last modification date: 2024-03-20)
Primary citation	Fu, L.,Wang, S.,Wang, X.,Wang, P.,Zheng, Y.,Yao, D.,Guo, M.,Zhang, L.,Ouyang, L. Crystal structure-based discovery of a novel synthesized PARP1 inhibitor (OL-1) with apoptosis-inducing mechanisms in triple-negative breast cancer. Sci Rep, 6:3-3, 2016 Cited by PubMed: 28442756 DOI: 10.1038/s41598-016-0007-2 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (4.01 Å)

Structure validation