4MTI

Crystal structure of cIAP1 BIR3 bound to T3258042

Summary for 4MTI

• Entry DOI: 10.2210/pdb4mti/pdb
• Related: 4MU7
• Descriptor: Baculoviral IAP repeat-containing protein 2, ZINC ION, (3S,8aR)-2-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)butanoyl]amino}acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide, ... (4 entities in total)
• Functional Keywords: ring-type zinc finger, ligase, apoptosis inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: Q13490
• Total number of polymer chains: 2
• Total formula weight: 27799.89

Authors

Snell, G.P.,Dougan, D.R. (deposition date: 2013-09-19, release date: 2013-12-11, Last modification date: 2024-02-28)

• Primary citation: Shiokawa, Z.,Hashimoto, K.,Saito, B.,Oguro, Y.,Sumi, H.,Yabuki, M.,Yoshimatsu, M.,Kosugi, Y.,Debori, Y.,Morishita, N.,Dougan, D.R.,Snell, G.P.,Yoshida, S.,Ishikawa, T.; Design, synthesis, and biological activities of novel hexahydropyrazino[1,2-a]indole derivatives as potent inhibitors of apoptosis (IAP) proteins antagonists with improved membrane permeability across MDR1 expressing cells.; Bioorg.Med.Chem., 21:7938-7954, 2013; PubMed: 24169315; DOI: 10.1016/j.bmc.2013.09.067

Experimental method

X-RAY DIFFRACTION (2.15 Å)