3HL5

Crystal structure of XIAP BIR3 with CS3

Summary for 3HL5

• Entry DOI: 10.2210/pdb3hl5/pdb
• Descriptor: Baculoviral IAP repeat-containing protein 4, ZINC ION, (3S)-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-3-methyl-N-(2-pyrimidin-2-ylphenyl)-L-prolinamide, ... (4 entities in total)
• Functional Keywords: bir, iap, apoptosis, small molecule drug discovery, structure-based drug design, ligase, metal-binding, phosphoprotein, protease inhibitor, thiol protease inhibitor, ubl conjugation pathway, zinc-finger
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: P98170
• Total number of polymer chains: 2
• Total formula weight: 23104.78

Authors

Hymowitz, S.G. (deposition date: 2009-05-26, release date: 2009-06-16, Last modification date: 2023-09-06)

• Primary citation: Ndubaku, C.,Varfolomeev, E.,Wang, L.,Zobel, K.,Lau, K.,Elliott, L.O.,Maurer, B.,Fedorova, A.V.,Dynek, J.N.,Koehler, M.,Hymowitz, S.G.,Tsui, V.,Deshayes, K.,Fairbrother, W.J.,Flygare, J.A.,Vucic, D.; Antagonism of c-IAP and XIAP proteins is required for efficient induction of cell death by small-molecule IAP antagonists.; Acs Chem.Biol., 4:557-566, 2009; PubMed: 19492850; DOI: 10.1021/cb900083m

Experimental method

X-RAY DIFFRACTION (1.8 Å)