1rww: Difference between revisions
New page: left|200px<br /> <applet load="1rww" size="450" color="white" frame="true" align="right" spinBox="true" caption="1rww, resolution 2.80Å" /> '''Crystal structure o... |
No edit summary |
||
| Line 1: | Line 1: | ||
[[Image:1rww.gif|left|200px]]<br /> | [[Image:1rww.gif|left|200px]]<br /><applet load="1rww" size="350" color="white" frame="true" align="right" spinBox="true" | ||
<applet load="1rww" size=" | |||
caption="1rww, resolution 2.80Å" /> | caption="1rww, resolution 2.80Å" /> | ||
'''Crystal structure of human caspase-1 in complex with 4-oxo-3-[(6-{[4-(quinoxalin-2-ylamino)-benzoylamino]-methyl}-pyridine-3-carbonyl)-amino]-butyric acid'''<br /> | '''Crystal structure of human caspase-1 in complex with 4-oxo-3-[(6-{[4-(quinoxalin-2-ylamino)-benzoylamino]-methyl}-pyridine-3-carbonyl)-amino]-butyric acid'''<br /> | ||
| Line 8: | Line 7: | ||
==About this Structure== | ==About this Structure== | ||
1RWW is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with OQB as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Caspase-1 Caspase-1], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.36 3.4.22.36] Full crystallographic information is available from [http:// | 1RWW is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=OQB:'>OQB</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Caspase-1 Caspase-1], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.36 3.4.22.36] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1RWW OCA]. | ||
==Reference== | ==Reference== | ||
| Line 22: | Line 21: | ||
[[Category: protein-small molecule inhibitor complex]] | [[Category: protein-small molecule inhibitor complex]] | ||
''Page seeded by [http:// | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jan 23 12:30:35 2008'' | ||
Revision as of 13:30, 23 January 2008
|
Crystal structure of human caspase-1 in complex with 4-oxo-3-[(6-{[4-(quinoxalin-2-ylamino)-benzoylamino]-methyl}-pyridine-3-carbonyl)-amino]-butyric acid
OverviewOverview
Disulfide Tethering was applied to the active site of human caspase-1, resulting in the discovery of a novel, tricyclic molecular fragment that, selectively binds in S4. This fragment was developed into a class of, potent inhibitors of human caspase-1. Several key analogues determined the, optimal distance of the tricycle from the catalytic residues, the relative, importance of various features of the tricycle, and the importance of the, linker.
About this StructureAbout this Structure
1RWW is a Protein complex structure of sequences from Homo sapiens with as ligand. Active as Caspase-1, with EC number 3.4.22.36 Full crystallographic information is available from OCA.
ReferenceReference
Tethering identifies fragment that yields potent inhibitors of human caspase-1., Fahr BT, O'Brien T, Pham P, Waal ND, Baskaran S, Raimundo BC, Lam JW, Sopko MM, Purkey HE, Romanowski MJ, Bioorg Med Chem Lett. 2006 Feb;16(3):559-62. Epub 2005 Nov 4. PMID:16274992
Page seeded by OCA on Wed Jan 23 12:30:35 2008