4V26

VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells

Summary for 4V26

• Entry DOI: 10.2210/pdb4v26/pdb
• Related: 4V25
• Descriptor: [PYRUVATE DEHYDROGENASE (ACETYL-TRANSFERRING)] KINASE ISOZYME 2, MITOCHONDRIAL, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, MAGNESIUM ION, ... (5 entities in total)
• Functional Keywords: transferase, glycolysis, warburg metabolism, nov3r
• Biological source: HOMO SAPIENS (HUMAN)
• Total number of polymer chains: 1
• Total formula weight: 47214.11

Authors

Moore, J.D.,Staniszewska, A.,Shaw, T.,D'Alessandro, J.,Davis, B.,Surgenor, A.,Baker, L.,Matassova, N.,Murray, J.,Macias, A.,Brough, P.,Wood, M.,Mahon, P.C. (deposition date: 2014-10-06, release date: 2014-12-03, Last modification date: 2019-10-09)

• Primary citation: Moore, J.D.,Staniszewska, A.,Shaw, T.,D'Alessandro, J.,Davis, B.,Surgenor, A.,Baker, L.,Matassova, N.,Murray, J.,Macias, A.,Brough, P.,Wood, M.,Mahon, P.C.; VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells.; Oncotarget, 5:12862-12876, 2014; PubMed: 25404640; DOI: 10.18632/oncotarget.2656

Experimental method

X-RAY DIFFRACTION (2.49 Å)