2025-08-23_00000005|ligand|8VYH

Crystal Structure Analysis of PARP1 in complex with a compound; X-ray diffraction 2.05Å
Protein #1 352 residues (100% resolved)

GPKSKLPKPVQDLIKMIFDVESMKKAMVEYEIDLQKMPLGKLSKRQIQAAYSILSEVQQAVSQGSSDSQILDLSNRFYTLIPHDFGMKKPPLLNNADSVQAKVEMLDNLLDIEVAYSLLRGGSDDSSKDPIDVNYEKLKTDIKVVDRDSEEAEIIRKYVKNTHATTHNAYDLEVIDIFKIEREGECQRYKPFKQLHNRRLLWHGSRTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADMVSKSANYCHTSQGDPIGLILLGEVALGNMYELKHASHISKLPKGKHSVKGLGKTTPDPSANISLDGVDVPLGTGISSGVNDTSLLYNEYIVYDIAQVNLKYLLKLKFNFKT

GPKSKLPKPVQDLIKMIFDVESMKKAMVEYEIDLQKMPLGKLSKRQIQAAYSILSEVQQAVSQGSSDSQILDLSNRFYTLIPHDFGMKKPPLLNNADSVQAKVEMLDNLLDIEVAYSLLRGGSDDSSKDPIDVNYEKLKTDIKVVDRDSEEAEIIRKYVKNTHATTHNAYDLEVIDIFKIEREGECQRYKPFKQLHNRRLLWHGSRTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADMVSKSANYCHTSQGDPIGLILLGEVALGNMYELKHASHISKLPKGKHSVKGLGKTTPDPSANISLDGVDVPLGTGISSGVNDTSLLYNEYIVYDIAQVNLKYLLKLKFNFKT
Non polymer #2 A1AEO

InChI=1S/C21H18FN3O5/c22-16-6-5-11(8-17-13-3-1-2-4-14(13)19(27)24-23-17)7-15(16)20(28)25-10-12(26)9-18(25)21(29)30/h1-7,12,18,26H,8-10H2,(H,24,27)(H,29,30)/t12-,18-/m0/s1

c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4C[C@H](C[C@H]4C(=O)O)O)F
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Reference