1uk1
From Proteopedia
(New page: 200px<br /> <applet load="1uk1" size="450" color="white" frame="true" align="right" spinBox="true" caption="1uk1, resolution 3.Å" /> '''Crystal structure of ...) |
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| - | [[Image:1uk1.gif|left|200px]]<br /> | + | [[Image:1uk1.gif|left|200px]]<br /><applet load="1uk1" size="350" color="white" frame="true" align="right" spinBox="true" |
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caption="1uk1, resolution 3.Å" /> | caption="1uk1, resolution 3.Å" /> | ||
'''Crystal structure of human poly(ADP-ribose) polymerase complexed with a potent inhibitor'''<br /> | '''Crystal structure of human poly(ADP-ribose) polymerase complexed with a potent inhibitor'''<br /> | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1UK1 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with FRQ as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/NAD(+)_ADP-ribosyltransferase NAD(+) ADP-ribosyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.30 2.4.2.30] Full crystallographic information is available from [http:// | + | 1UK1 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=FRQ:'>FRQ</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/NAD(+)_ADP-ribosyltransferase NAD(+) ADP-ribosyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.30 2.4.2.30] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1UK1 OCA]. |
==Reference== | ==Reference== | ||
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[[Category: protein-inhibitor complex]] | [[Category: protein-inhibitor complex]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri Feb 15 17:02:49 2008'' |
Revision as of 15:02, 15 February 2008
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Crystal structure of human poly(ADP-ribose) polymerase complexed with a potent inhibitor
Contents |
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 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
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