3GJW

PARP complexed with A968427

Summary for 3GJW

• Entry DOI: 10.2210/pdb3gjw/pdb
• Related: 2RCW 2RD6 3GJW
• Descriptor: Poly [ADP-ribose] polymerase 1, 7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one (3 entities in total)
• Functional Keywords: protein-inhibitor complex, acetylation, adp-ribosylation, dna damage, dna repair, dna-binding, glycosyltransferase, metal-binding, nad, nucleus, phosphoprotein, polymorphism, transferase, zinc, zinc-finger
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 39436.14

Authors

Park, C.H. (deposition date: 2009-03-09, release date: 2010-03-09, Last modification date: 2023-09-06)

Primary citation

Miyashiro, J.,Woods, K.W.,Park, C.H.,Liu, X.,Shi, Y.,Johnson, E.F.,Bouska, J.J.,Olson, A.M.,Luo, Y.,Fry, E.H.,Giranda, V.L.,Penning, T.D.
Synthesis and SAR of novel tricyclic quinoxalinone inhibitors of poly(ADP-ribose)polymerase-1 (PARP-1)
Bioorg.Med.Chem.Lett., 19:4050-4054, 2009

PubMed Abstract: Based on screening hit 1, a series of tricyclic quinoxalinones have been designed and evaluated for inhibition of PARP-1. Substitutions at the 7- and 8-positions of the quinoxalinone ring led to a number of compounds with good enzymatic and cellular potency. The tricyclic quinoxalinone class is sensitive to modifications of both the amine substituent and the tricyclic core. The synthesis and structure-activity relationship studies are presented.

PubMed: 19553114
DOI: 10.1016/j.bmcl.2009.06.016

Experimental method

X-RAY DIFFRACTION (2.3 Å)