6UDU

X-ray co-crystal structure of compound 8 bound to human Mcl-1

Summary for 6UDU

• Entry DOI: 10.2210/pdb6udu/pdb
• Related: 6UD2 6UDI 6UDT
• Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, (4S,11E,17R)-6'-chloro-17-hydroxy-14-methyl-15-oxo-3',4',8,9,10,13,14,15,16,17-decahydro-2'H,3H,5H,7H-spiro[1,18-(ethanediylidene)[1,4]oxazepino[4,3-a][1,8]diazacyclopentadecine-4,1'-naphthalene]-17-carboxylic acid (3 entities in total)
• Functional Keywords: protein-protein interaction, apoptosis, inhibitor, apoptosis-inhibitor complex, apoptosis/inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 18461.41

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; PubMed: 31736296; DOI: 10.1021/acs.jmedchem.9b01310

Experimental method

X-RAY DIFFRACTION (1.75 Å)