4HY0

Crystal structure of XIAP BIR3 with T3256336

Summary for 4HY0

• Entry DOI: 10.2210/pdb4hy0/pdb
• Related PRD ID: PRD_001138
• Descriptor: E3 ubiquitin-protein ligase XIAP, ZINC ION, (3S,7R,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide, ... (4 entities in total)
• Functional Keywords: bir3, baculoviral iap repeat-containing protein 4, apoptotic suppressor. inhibitor of caspase-3, -7 and -9., interacts with smac and with prss25, xiap, birc4, x-linked inhibitor of apoptosis, ligase-ligase inhibitor complex, ligase/ligase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: P98170
• Total number of polymer chains: 8
• Total formula weight: 119423.14

Authors

Snell, G.S.,Dougan, D.R. (deposition date: 2012-11-12, release date: 2013-01-30, Last modification date: 2024-02-28)

• Primary citation: Hashimoto, K.,Saito, B.,Miyamoto, N.,Oguro, Y.,Tomita, D.,Shiokawa, Z.,Asano, M.,Kakei, H.,Taya, N.,Kawasaki, M.,Sumi, H.,Yabuki, M.,Iwai, K.,Yoshida, S.,Yoshimatsu, M.,Aoyama, K.,Kosugi, Y.,Kojima, T.,Morishita, N.,Dougan, D.R.,Snell, G.P.,Imamura, S.,Ishikawa, T.; Design and Synthesis of Potent Inhibitor of Apoptosis (IAP) Proteins Antagonists Bearing an Octahydropyrrolo[1,2-a]pyrazine Scaffold as a Novel Proline Mimetic.; J.Med.Chem., 56:1228-1246, 2013; PubMed: 23298277; DOI: 10.1021/jm301674z

Experimental method

X-RAY DIFFRACTION (2.84 Å)