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Modelling of active forms of protein kinases: p38 - a case study

100%

Ginalski K., Lesyng B., Sowadski J., Wojciechowski M.

Acta Biochimica Polonica

1997

tom 44

nr 3

An active form of p38 protein kinase, belonging to the mitogen-activated protein kinases subfamily, has been designed based on crystallographically known structures of two other kinases, an active form of protein kinase A (PKA) and an inactive form of extracellular signal-regulated kinase 2 (ERK2). The modelling procedure is described. Its general scheme can also be applied to other kinases. The structure of the active forms of p38 and PKA is very similar in the region which binds the substrate. The ATP-binding mode is very similar in the active forms of all the three studied kinases. Models of the active forms allow for further studies on transphosphorylation processes at the molecular level, and modelling of inhibitors competitive with ATP and/or substrates.

Modelling of insulin receptor tyrosine kinase in its active form: a case study for validation of theoretical methods

80%

Ginalski K., Wojciechowski M., Lesyng B.

Acta Biochimica Polonica

1999

tom 46

nr 3

An active form of an insulin receptor tyrosine kinase (IRK) catalytic core was modelled based on its experimentally known inactive form and the active form of a serine/threonine kinase, protein kinase A (PKA). This theoretical model was compared with the crystallographic structure of the active form of IRK reported later. The structures are very similar, which shows that all the most important features and interactions have been taken into account in the modelling procedure. The elaborated procedure can be applied to other tyrosine kinases. This would allow designing of a wide class of tyrosine kinase inhibitors, very important potential anti-cancer and/or anti-viral drugs.

Ograniczanie wyników

2 Acta Biochimica Polonica

2 Ginalski K.

2 Lesyng B.

2 Wojciechowski M.

1 Sowadski J.

1 1999

1 1997

Wyniki wyszukiwania

Modelling of active forms of protein kinases: p38 - a case study

Modelling of insulin receptor tyrosine kinase in its active form: a case study for validation of theoretical methods