3Q92

X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 1

Summary for 3Q92

• Entry DOI: 10.2210/pdb3q92/pdb
• Related: 3NBV 3NBW 3NC2 3NC9 3NCA 3QA2 3QAI
• Descriptor: Ketohexokinase, N~8~-(cyclopropylmethyl)-N~4~-[2-(methylsulfanyl)phenyl]-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine, SULFATE ION, ... (4 entities in total)
• Functional Keywords: ketohexokinase, atp binding, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 69286.46

Authors

Abad, M.C. (deposition date: 2011-01-07, release date: 2012-01-18, Last modification date: 2023-09-13)

• Primary citation: Maryanoff, B.E.,O'Neill, J.C.,McComsey, D.F.,Yabut, S.C.,Luci, D.K.,Jordan, A.D.,Masucci, J.A.,Jones, W.J.,Abad, M.C.,Gibbs, A.C.,Petrounia, I.; Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site.; ACS Med Chem Lett, 2:538-543, 2011; PubMed: 24900346; DOI: 10.1021/ml200070g

Experimental method

X-RAY DIFFRACTION (2.8 Å)