4HHZ

Crystal structure of PARP catalytic domain in complex with novel inhibitors

Summary for 4HHZ

• Entry DOI: 10.2210/pdb4hhz/pdb
• Descriptor: Poly [ADP-ribose] polymerase 1, N-{(2S)-1-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2H)-yl]-1-oxopropan-2-yl}-2-[(9aR)-7-oxo-2,3,7,8,9,9a-hexahydro-1H-benzo[de][1,7]naphthyridin-1-yl]acetamide, SULFATE ION, ... (4 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: 160515.41

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 (2.7199 Å)