8FE5

Structure of J-PKAc chimera complexed with Aplithianine B

Summary for 8FE5

• Entry DOI: 10.2210/pdb8fe5/pdb
• Related: 8FE2
• Descriptor: DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, 6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one, ... (4 entities in total)
• Functional Keywords: protein kinase a, fibrolamellar hepatocellular carcinoma, natural product, signaling protein
• Biological source: Homo sapiens (human); More
• Total number of polymer chains: 4
• Total formula weight: 100267.42

Authors

Du, L.,Wilson, B.A.P.,Li, N.,Martinez Fiesco, J.A.,Dalilian, M.,Wang, D.,Smith, E.A.,Wamiru, A.,Goncharova, E.I.,Zhang, P.,O'Keefe, B.R. (deposition date: 2022-12-05, release date: 2023-10-18, Last modification date: 2023-11-08)

• Primary citation: Du, L.,Wilson, B.A.P.,Li, N.,Shah, R.,Dalilian, M.,Wang, D.,Smith, E.A.,Wamiru, A.,Goncharova, E.I.,Zhang, P.,O'Keefe, B.R.; Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.; J.Nat.Prod., 86:2283-2293, 2023; PubMed: 37843072; DOI: 10.1021/acs.jnatprod.3c00394

Experimental method

X-RAY DIFFRACTION (2.51 Å)