6YBL

Structure of MBP-Mcl-1 in complex with compound 9m

Summary for 6YBL

Entry DOI	10.2210/pdb6ybl/pdb
Related	6YBG 6YBJ 6YBK
Related PRD ID	PRD_900001
Descriptor	Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid, ... (4 entities in total)
Functional Keywords	apoptosis, apoptosis-inhibitor complex, mcl-1, s64315, mbp, small molecule inhibitor
Biological source	Escherichia coli O157:H7 More
Total number of polymer chains	1
Total formula weight	58443.57
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