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 Cited by PubMed: 23473053DOI: 10.1021/jm301825t PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.3637 Å) |
Structure validation
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