1RWX: Crystal Structure Of Human Caspase-1 In Complex With 4-Oxo-3-{6-[4- (Quinoxalin-2-Yloxy)-Benzoylamino]-2-Thiophen-2-Yl-Hexanoylamino}- Butyric Acid

Citation:
Abstract
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.
PDB ID: 1RWXDownload
MMDB ID: 30842
PDB Deposition Date: 2003/12/17
Updated in MMDB: 2007/11
Experimental Method:
x-ray diffraction
Resolution: 1.85  Å
Source Organism:
Similar Structures:
Biological Unit for 1RWX: tetrameric; determined by author and by software (PISA,PQS)
Molecular Components in 1RWX
Label Count Molecule
Proteins (4 molecules)
2
Interleukin-1 Beta Convertase(Gene symbol: CASP1)
Molecule annotation
2
Interleukin-1 Beta Convertase(Gene symbol: CASP1)
Molecule annotation
Chemicals (2 molecules)
1
2
* Click molecule labels to explore molecular sequence information.

Citing MMDB
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