6B4U

Crystal structure of MCL-1 in complex with a BIM competitive inhibitor

Summary for 6B4U

• Entry DOI: 10.2210/pdb6b4u/pdb
• Related: 5VKC 6B4L
• Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, 7-(2-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid (3 entities in total)
• Functional Keywords: mcl-1, signaling protein-inhibitor complex, signaling protein, signaling protein/inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Membrane ; Single-pass membrane protein : Q07820
• Total number of polymer chains: 1
• Total formula weight: 18431.06

Authors

Judge, R.A.,Souers, A.J. (deposition date: 2017-09-27, release date: 2017-10-04, Last modification date: 2024-03-13)

• Primary citation: Bruncko, M.,Wang, L.,Sheppard, G.S.,Phillips, D.C.,Tahir, S.K.,Xue, J.,Erickson, S.,Fidanze, S.,Fry, E.,Hasvold, L.,Jenkins, G.J.,Jin, S.,Judge, R.A.,Kovar, P.J.,Madar, D.,Nimmer, P.,Park, C.,Petros, A.M.,Rosenberg, S.H.,Smith, M.L.,Song, X.,Sun, C.,Tao, Z.F.,Wang, X.,Xiao, Y.,Zhang, H.,Tse, C.,Leverson, J.D.,Elmore, S.W.,Souers, A.J.; Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity.; J. Med. Chem., 58:2180-2194, 2015; PubMed: 25679114; DOI: 10.1021/jm501258m

Experimental method

X-RAY DIFFRACTION (1.95 Å)