6QYL

Structure of MBP-Mcl-1 in complex with compound 8a

Summary for 6QYL

• Entry DOI: 10.2210/pdb6qyl/pdb
• Related: 6qxj 6qyk
• 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-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, ... (5 entities in total)
• Functional Keywords: apoptosis-inhibitor complex, mcl1, small molecule inhibitor, mbp, apoptosis
• Biological source: Escherichia coli; More
• Total number of polymer chains: 1
• Total formula weight: 58033.69

Authors

Dokurno, P.,Szlavik, Z.,Ondi, L.,Csekei, M.,Paczal, A.,Szabo, Z.B.,Radics, G.,Murray, J.,Davidson, J.,Chen, I.,Davis, B.,Hubbard, R.E.,Pedder, C.,Surgenor, A.E.,Smith, J.,Robertson, A.,LeToumelin-Braizat, G.,Cauquil, N.,Zarka, M.,Demarles, D.,Perron-Sierra, F.,Geneste, O.,Kotschy, A. (deposition date: 2019-03-09, release date: 2019-08-07, Last modification date: 2024-01-24)

• Primary citation: Szlavik, Z.,Ondi, L.,Csekei, M.,Paczal, A.,Szabo, Z.B.,Radics, G.,Murray, J.,Davidson, J.,Chen, I.,Davis, B.,Hubbard, R.E.,Pedder, C.,Dokurno, P.,Surgenor, A.,Smith, J.,Robertson, A.,LeToumelin-Braizat, G.,Cauquil, N.,Zarka, M.,Demarles, D.,Perron-Sierra, F.,Claperon, A.,Colland, F.,Geneste, O.,Kotschy, A.; Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.; J.Med.Chem., 62:6913-6924, 2019; PubMed: 31339316; DOI: 10.1021/acs.jmedchem.9b00134

Experimental method

X-RAY DIFFRACTION (2.2 Å)