6UDX

X-ray co-crystal structure of compound 7 with Mcl-1

Summary for 6UDX

• Entry DOI: 10.2210/pdb6udx/pdb
• Related: 6UD2 6UDI 6UDT 6UDU 6UDV
• Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, (2R)-[(3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalen]-7-yl](hydroxy)acetic 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: 2
• Total formula weight: 36728.58

Authors

Huang, X. (deposition date: 2019-09-19, release date: 2019-12-11, 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 (1.7 Å)