4HHY

Crystal structure of PARP catalytic domain in complex with novel inhibitors

Summary for 4HHY

• Entry DOI: 10.2210/pdb4hhy/pdb
• Descriptor: Poly [ADP-ribose] polymerase 1, (9aR)-1-[(1-{2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoyl}piperidin-4-yl)carbonyl]-1,2,3,8,9,9a-hexahydro-7H-benzo[de][1,7]naphthyridin-7-one, SULFATE ION, ... (5 entities in total)
• Functional Keywords: polymerase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Nucleus: P09874
• Total number of polymer chains: 4
• Total formula weight: 160937.78

Authors

Liu, Q.F.,Chen, T.T.,Xu, Y.C. (deposition date: 2012-10-10, release date: 2013-03-27, Last modification date: 2023-09-20)

• Primary citation: Ye, N.,Chen, C.H.,Chen, T.,Song, Z.,He, J.X.,Huan, X.J.,Song, S.S.,Liu, Q.,Chen, Y.,Ding, J.,Xu, Y.,Miao, Z.H.,Zhang, A.; Design, Synthesis, and Biological Evaluation of a Series of Benzo[de][1,7]naphthyridin-7(8H)-ones Bearing a Functionalized Longer Chain Appendage as Novel PARP1 Inhibitors.; J.Med.Chem., 56:2885-2903, 2013; PubMed: 23473053; DOI: 10.1021/jm301825t

Experimental method

X-RAY DIFFRACTION (2.3637 Å)