3DCV

Crystal structure of human Pim1 kinase complexed with 4-(4-hydroxy-3-methyl-phenyl)-6-phenylpyrimidin-2(1H)-one

Summary for 3DCV

• Entry DOI: 10.2210/pdb3dcv/pdb
• Descriptor: Proto-oncogene serine/threonine-protein kinase Pim-1, 4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5H)-one (3 entities in total)
• Functional Keywords: ser/thr protein kinase, nucleotide-binding, phsphorylation, atp-binding, cancer, oncogene, alternative initiation, cytoplasm, manganese, membrane, metal-binding, nucleus, phosphoprotein, polymorphism, proto-oncogene, serine/threonine-protein kinase, transferase
• Biological source: Homo sapiens
• Cellular location: Isoform 2: Cytoplasm. Isoform 1: Cell membrane: P11309
• Total number of polymer chains: 1
• Total formula weight: 37875.01

Authors

Bellamacina, C.R.,Shafer, C.M.,Lindvall, M.,Gesner, T.G.,Yabannavar, A.,Weiping, J.,Song, L.,Walter, A. (deposition date: 2008-06-04, release date: 2008-08-19, Last modification date: 2024-10-30)

Primary citation

Shafer, C.M.,Lindvall, M.,Bellamacina, C.,Gesner, T.G.,Yabannavar, A.,Jia, W.,Lin, S.,Walter, A.
4-(1H-indazol-5-yl)-6-phenylpyrimidin-2(1H)-one analogs as potent CDC7 inhibitors.
Bioorg.Med.Chem.Lett., 18:4482-4485, 2008

PubMed Abstract: A series of 4-(4-hydroxyphenyl)-6-phenylpyrimidin-2(1H)-ones were identified by HTS as inhibitors of CDC7. Molecular modeling and medicinal chemistry techniques were employed to explore the SAR for this series with a focus on removing potential metabolic liabilities and improving cellular potency.

PubMed: 18672368
DOI: 10.1016/j.bmcl.2008.07.061

Experimental method

X-RAY DIFFRACTION (2.7 Å)