9I85

Structure of Mcl-1 complex with small molecule inhibitor

This is a non-PDB format compatible entry.

Summary for 9I85

• Entry DOI: 10.2210/pdb9i85/pdb
• Related: 9I84
• Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, DODECAETHYLENE GLYCOL, (2~{R})-2-[5-[3-chloranyl-2-methyl-5-[(4-methylpiperazin-1-yl)methyl]-4-oxidanyl-phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid, ... (4 entities in total)
• Functional Keywords: apoptosis, apoptosis-inhibitor complex, mcl-1, small-molecule inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 20620.92

Authors

Dokurno, P.,Murray, J.B.,Rubbard, R.E. (deposition date: 2025-02-04, release date: 2026-08-19)

• Primary citation: Martiny, V.,Theret, I.,Dererchi, S.; Absolute residence times estimation from scaled molecular dynamics simulations: application to Mcl-1 inhibitors; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.9 Å)