6YBG

Structure of Mcl-1 in complex with compound 2g

Summary for 6YBG

Entry DOI	10.2210/pdb6ybg/pdb
Related	6YBJ 6YBK 6YBL
Descriptor	Induced myeloid leukemia cell differentiation protein Mcl-1, (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-(2-methoxyphenyl)propanoic acid, CHLORIDE ION, ... (4 entities in total)
Functional Keywords	apoptosis, apoptosis-inhibitor complex, mcl-1, s64315, small molecule inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	40437.09
Authors	Dokurno, P.,Surgenor, A.E.,Murray, J.B. (deposition date: 2020-03-17, release date: 2020-11-18, Last modification date: 2024-01-24)
Primary citation	Szlavik, Z.,Csekei, M.,Paczal, A.,Szabo, Z.B.,Sipos, S.,Radics, G.,Proszenyak, A.,Balint, B.,Murray, J.,Davidson, J.,Chen, I.,Dokurno, P.,Surgenor, A.E.,Daniels, Z.M.,Hubbard, R.E.,Le Toumelin-Braizat, G.,Claperon, A.,Lysiak-Auvity, G.,Girard, A.M.,Bruno, A.,Chanrion, M.,Colland, F.,Maragno, A.L.,Demarles, D.,Geneste, O.,Kotschy, A. Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor. J.Med.Chem., 63:13762-13795, 2020 Cited by PubMed: 33146521 DOI: 10.1021/acs.jmedchem.0c01234 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.1 Å)

Structure validation