3NCG

Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with bumped kinase inhibitor NM-PP1

3NCG の概要

• エントリーDOI: 10.2210/pdb3ncg/pdb
• 関連するPDBエントリー: 3I79 3I7b 3I7c 3IGO 3MWU 3N51
• 分子名称: Calmodulin-domain protein kinase 1, CALCIUM ION, 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ... (4 entities in total)
• 機能のキーワード: serine/threonine protein kinase, transferase, calcium-binding, atp-binding, calmodulin, bumped kinase inhibitor, transferase-transferase inhibitor complex, structural genomics, medical structural genomics of pathogenic protozoa, msgpp, transferase/transferase inhibitor
• 由来する生物種: Cryptosporidium parvum
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 56590.41

構造登録者

Larson, E.T.,Merritt, E.A.,Medical Structural Genomics of Pathogenic Protozoa (MSGPP) (登録日: 2010-06-04, 公開日: 2010-07-21, 最終更新日: 2023-09-06)

主引用文献

Murphy, R.C.,Ojo, K.K.,Larson, E.T.,Castellanos-Gonzalez, A.,Perera, B.G.,Keyloun, K.R.,Kim, J.E.,Bhandari, J.G.,Muller, N.R.,Verlinde, C.L.,White, A.C.,Merritt, E.A.,Van Voorhis, W.C.,Maly, D.J.
Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii.
ACS Med Chem Lett, 1:331-335, 2010

PubMed Abstract: The protozoans Cryptosporidium parvum and Toxoplasma gondii are parasites of major health concern to humans. Both parasites contain a group of calcium-dependent protein kinases (CDPKs), which are found in plants and ciliates but not in humans or fungi. Here we describe a series of potent inhibitors that target CDPK1 in C. parvum (CpCDPK1) and T. gondii (TgCDPK1). These inhibitors are highly selective for CpCDPK1 and TgCDPK1 over the mammalian kinases SRC and ABL. Furthermore, they are able to block an early stage of C. parvum invasion of HCT-8 host cells, which is similar to their effects on T. gondii invasion of human fibroblasts.

PubMed: 21116453
DOI: 10.1021/ml100096t

実験手法

X-RAY DIFFRACTION (2.49 Å)