7NB4

Structure of Mcl-1 complex with compound 1

Summary for 7NB4

• Entry DOI: 10.2210/pdb7nb4/pdb
• Related: 6ybl
• 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-phenyl-propanoic acid, MAGNESIUM ION, ... (5 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: 1
• Total formula weight: 20235.76

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; PubMed: 34497901; DOI: 10.1021/acsomega.1c02595

Experimental method

X-RAY DIFFRACTION (1.9 Å)