1uk1 | pdb_00001uk1
Crystal structure of human poly(ADP-ribose) polymerase complexed with a potent inhibitor
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Overview
A novel class of quinazolinone derivatives as potent, poly(ADP-ribose)polymerase-1 (PARP-1) inhibitors has been discovered. Key, to success was application of a rational discovery strategy involving, structure-based design, combinatorial chemistry, and classical SAR for, improvement of potency and bioavailability. The new inhibitors were shown, to bind to the nicotinamide-ribose binding site (NI site) and the, adenosine-ribose binding site (AD site) of NAD+.
Disease
Known diseases associated with this structure: Xeroderma pigmentosum (1) OMIM:[173870]
About this Structure
1UK1 is a Single protein structure of sequence from Homo sapiens with FRQ as ligand. Active as NAD(+) ADP-ribosyltransferase, with EC number 2.4.2.30 Full crystallographic information is available from OCA.
Reference
Rational approaches to discovery of orally active and brain-penetrable quinazolinone inhibitors of poly(ADP-ribose)polymerase., Hattori K, Kido Y, Yamamoto H, Ishida J, Kamijo K, Murano K, Ohkubo M, Kinoshita T, Iwashita A, Mihara K, Yamazaki S, Matsuoka N, Teramura Y, Miyake H, J Med Chem. 2004 Aug 12;47(17):4151-4. PMID:15293985
Page seeded by OCA on Mon Nov 12 19:35:58 2007
