2C1E

Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors.

Summary for 2C1E

• Entry DOI: 10.2210/pdb2c1e/pdb
• Related: 1CP3 1GFW 1I3O 1NME 1NMQ 1NMS 1PAU 1QX3 1RE1 1RHJ 1RHK 1RHM 1RHQ 1RHR 1RHU 2C2K 2C2M 2C2O 2CDR 2CJX 2CJY 2CNK 2CNL 2CNN 2CNO 2J30 2J31 2J32 2J33
• Related PRD ID: PRD_000330
• Descriptor: CASPASE-3 SUBUNIT P17, CASPASE-3 SUBUNIT P12, AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-14-(4-ETHOXY-4-OXOBUTANOYL)-11-(1-METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN -16-OIC ACID, ... (4 entities in total)
• Functional Keywords: apoptosis, hydrolase-hydrolase inhibitor complex, cysteine-protease, thiol protease, zymogen, cpp32, yama, aza-peptide, michael acceptor, aza-asp, clan cd, hydrolase/hydrolase inhibitor
• Biological source: HOMO SAPIENS (HUMAN); More
• Cellular location: Cytoplasm: P42574 P42574
• Total number of polymer chains: 3
• Total formula weight: 29335.70

Authors

Grutter, M.G. (deposition date: 2005-09-14, release date: 2006-09-20, Last modification date: 2023-11-15)

• Primary citation: Ekici, O.D.,Li, Z.Z.,Campbell, A.J.,James, K.E.,Asgian, J.L.,Mikolajczyk, J.,Salvesen, G.S.,Ganesan, R.,Jelakovic, S.,Grutter, M.G.,Powers, J.C.; Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10.; J.Med.Chem., 49:5728-, 2006; PubMed: 16970398; DOI: 10.1021/JM0601405

Experimental method

X-RAY DIFFRACTION (1.77 Å)