Database of articles cited by EMDB/PDB/SASBDB data

Keywords
Structure methods	All X-ray diffraction NMR electron microscopy small angle scattering neutron diffraction fiber diffraction powder diffraction infrared spectroscopy EPR fluorescence transfer theoretical model Hybrid
Author
Journal
IF	>30 >20 >10 >5 all

Title	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.
Journal, issue, pages	J. Med. Chem., Vol. 56, Page 2885-2903, Year 2013
Publish date	Oct 10, 2012 (structure data deposition date)
Authors	Ye, N. / Chen, C.H. / Chen, T. / Song, Z. / He, J.X. / Huan, X.J. / Song, S.S. / Liu, Q. / Chen, Y. / Ding, J. ...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.
External links	J. Med. Chem. / PubMed:23473053
Methods	X-ray diffraction
Resolution	2.3637 - 2.7199 Å
Structure data	PDB-4hhy: Crystal structure of PARP catalytic domain in complex with novel inhibitors Method: X-RAY DIFFRACTION / Resolution: 2.3637 Å PDB-4hhz: Crystal structure of PARP catalytic domain in complex with novel inhibitors Method: X-RAY DIFFRACTION / Resolution: 2.7199 Å
Chemicals	ChemComp-15R: (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 ChemComp-SO4: SULFATE ION ChemComp-PEG: DI(HYDROXYETHYL)ETHER ChemComp-HOH: WATER ChemComp-15S: 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
Source	homo sapiens (human)
Keywords	TRANSFERASE/TRANSFERASE INHIBITOR / Polymerase / TRANSFERASE-TRANSFERASE INHIBITOR complex