6S9W

Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 16a

Summary for 6S9W

Entry DOI	10.2210/pdb6s9w/pdb
Descriptor	RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{H}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide (3 entities in total)
Functional Keywords	akt1, akt2, akt3, borussertib, covalent-allosteric, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	52308.70
Authors	Landel, I.,Mueller, M.P.,Rauh, D. (deposition date: 2019-07-15, release date: 2019-10-16, Last modification date: 2024-01-24)
Primary citation	Quambusch, L.,Landel, I.,Depta, L.,Weisner, J.,Uhlenbrock, N.,Muller, M.P.,Glanemann, F.,Althoff, K.,Siveke, J.T.,Rauh, D. Covalent-Allosteric Inhibitors to Achieve Akt Isoform-Selectivity. Angew.Chem.Int.Ed.Engl., 58:18823-18829, 2019 Cited by PubMed: 31584233 DOI: 10.1002/anie.201909857 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.3 Å)

Structure validation