1rww

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[[Image:1rww.gif|left|200px]]
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{{STRUCTURE_1rww| PDB=1rww | SCENE= }}
{{STRUCTURE_1rww| PDB=1rww | SCENE= }}
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'''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'''
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===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===
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==Overview==
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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.
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(as it appears on PubMed at http://www.pubmed.gov), where 16274992 is the PubMed ID number.
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{{ABSTRACT_PUBMED_16274992}}
==About this Structure==
==About this Structure==
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[[Category: Hydrolase]]
[[Category: Hydrolase]]
[[Category: Protein-small molecule inhibitor complex]]
[[Category: Protein-small molecule inhibitor complex]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 08:00:11 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Jul 27 17:25:40 2008''

Revision as of 14:25, 27 July 2008

Image:1rww.png

Template:STRUCTURE 1rww

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

Template:ABSTRACT PUBMED 16274992

About this Structure

1RWW is a Protein complex structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.

Reference

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

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