6UDI

X-ray co-crystal structure of compound 20 with Mcl-1

Summary for 6UDI

Entry DOI	10.2210/pdb6udi/pdb
Related	6UD2
Descriptor	Induced myeloid leukemia cell differentiation protein Mcl-1, (4S,7aR,9aR,10S,11E,18R)-6'-chloro-N-(dimethylsulfamoyl)-18-hydroxy-10-methoxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide (3 entities in total)
Functional Keywords	protein-protein interaction, inhibitor, apoptosis-inhibitor complex, apoptosis/inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	18637.64
Authors	Huang, X.,Whittington, D. (deposition date: 2019-09-19, release date: 2019-12-04, Last modification date: 2024-03-13)
Primary citation	Rescourio, G.,Gonzalez, A.Z.,Jabri, S.,Belmontes, B.,Moody, G.,Whittington, D.,Huang, X.,Caenepeel, S.,Cardozo, M.,Cheng, A.C.,Chow, D.,Dou, H.,Jones, A.,Kelly, R.C.,Li, Y.,Lizarzaburu, M.,Lo, M.C.,Mallari, R.,Meleza, C.,Rew, Y.,Simonovich, S.,Sun, D.,Turcotte, S.,Yan, X.,Wong, S.G.,Yanez, E.,Zancanella, M.,Houze, J.,Medina, J.C.,Hughes, P.E.,Brown, S.P. Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere. J.Med.Chem., 62:10258-10271, 2019 Cited by PubMed: 31736296 DOI: 10.1021/acs.jmedchem.9b01310 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.94 Å)

Structure validation