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

Summary for 1RWX

• Entry DOI: 10.2210/pdb1rwx/pdb
• Related: 1bmq 1ibc 1ice 1rwk 1rwm 1rwn 1rwo 1rwp 1rwv 1rww
• Descriptor: Interleukin-1 beta convertase, 4-OXO-3-{6-[4-(QUINOXALIN-2-YLOXY)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-BUTYRIC ACID, ... (4 entities in total)
• Functional Keywords: protein-small molecule inhibitor complex, hydrolase
• Biological source: Homo sapiens (human); More
• Cellular location: Cytoplasm: P29466 P29466
• Total number of polymer chains: 2
• Total formula weight: 30689.21

Authors

Romanowski, M.J.,Fahr, B.T.,O'Brien, T. (deposition date: 2003-12-17, release date: 2004-12-28, Last modification date: 2023-08-23)

• Primary citation: Fahr, B.T.,O'Brien, T.,Pham, P.,Waal, N.D.,Baskaran, S.,Raimundo, B.C.,Lam, J.W.,Sopko, M.M.,Purkey, H.E.,Romanowski, M.J.; Tethering identifies fragment that yields potent inhibitors of human caspase-1.; Bioorg.Med.Chem.Lett., 16:559-562, 2006; PubMed: 16274992; DOI: 10.1016/j.bmcl.2005.10.048

Experimental method

X-RAY DIFFRACTION (1.85 Å)