7NB7

Structure of Mcl-1 complex with compound 6b

Summary for 7NB7

Entry DOI	10.2210/pdb7nb7/pdb
Related	6ybl 7nb4
Descriptor	Induced myeloid leukemia cell differentiation protein Mcl-1, (2~{R})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid (3 entities in total)
Functional Keywords	apoptosis, apoptosis-inhibitor complex, mcl-1, s64315, small molecule inhibitor, sbdd
Biological source	Homo sapiens (Human)
Total number of polymer chains	4
Total formula weight	79920.59
Authors	Dokurno, P.,Surgenor, A.E.,Kotschy, A. (deposition date: 2021-01-25, release date: 2021-10-13, Last modification date: 2024-01-31)
Primary citation	Sipos, S.,Balint, B.,Szabo, Z.B.,Ondi, L.,Csekei, M.,Szlavik, Z.,Proszenyak, A.,Murray, J.B.,Davidson, J.,Chen, I.,Dokurno, P.,Surgenor, A.E.,Pedder, C.,Hubbard, R.E.,Maragno, A.L.,Chanrion, M.,Colland, F.,Geneste, O.,Kotschy, A. The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues. Acs Omega, 6:22073-22102, 2021 Cited by PubMed: 34497901 DOI: 10.1021/acsomega.1c02595 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.82 Å)

Structure validation