9I84

Structure of Mcl-1 complex with small molecule inhibitor

This is a non-PDB format compatible entry.

Summary for 9I84

• Entry DOI: 10.2210/pdb9i84/pdb
• Related: 9i85
• Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, (2~{R})-2-[[5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-3-(2-methoxyphenyl)propanoic acid (3 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: 19975.15

Authors

Dokurno, P.,Murray, J.B.,Rubbard, R.E. (deposition date: 2025-02-04, release date: 2026-08-26)

• 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 (2.01 Å)