8QSO

Crystal structure of human Mcl-1 in complex with compound 1

Summary for 8QSO

• Entry DOI: 10.2210/pdb8qso/pdb
• Descriptor: Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, (13S,16R,19S)-16-benzyl-43-ethoxy-N-methyl-7,11,14,17-tetraoxo-13-phenyl-5-oxa-2,8,12,15,18-pentaaza-1(1,4),4(1,2)-dibenzena-9(1,4)-cyclohexanacycloicosaphane-19-carboxamide, ... (4 entities in total)
• Functional Keywords: mcl-1, inhibitor, transferase
• Biological source: Homo sapiens (human); More
• Total number of polymer chains: 1
• Total formula weight: 58456.14

Authors

Hekking, K.F.W.,Gremmen, S.,Maroto, S.,Keefe, A.D.,Zhang, Y. (deposition date: 2023-10-10, release date: 2024-02-14, Last modification date: 2024-03-06)

• Primary citation: Hekking, K.F.W.,Maroto, S.,van Kekem, K.,Haasjes, F.S.,Slootweg, J.C.,Oude Alink, P.G.B.,Dirks, R.,Sardana, M.,Bolster, M.G.,Kuijpers, B.,Smith, D.,Doodeman, R.,Scheepstra, M.,Zech, B.,Mulvihill, M.,Renzetti, L.M.,Babiss, L.,Centrella, P.A.,Clark, M.A.,Cuozzo, J.W.,Guie, M.A.,Sigel, E.,Habeshian, S.,Hupp, C.D.,Liu, J.,Thomson, H.A.,Zhang, Y.,Keefe, A.D.,Muller, G.,Gremmen, S.; Development of Potent Mcl-1 Inhibitors: Structural Investigations on Macrocycles Originating from a DNA-Encoded Chemical Library Screen.; J.Med.Chem., 67:3039-3065, 2024; PubMed: 38306405; DOI: 10.1021/acs.jmedchem.3c02206

Experimental method

X-RAY DIFFRACTION (2.106 Å)