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Some recent papers of Working Group on Structure Analysis of Molecules

Phillips Ch., Dohnálek J., Gover S., Barrett M.P., Adams M.J.:
2.8 Å Resolution Structure of 6-Phosphogluconate Dehydrogenase from the Protozoan Parasite Trypanosoma brucei: Comparison with the Sheep Enzyme Accounts for Differences in Activity with Coenzyme and Substrate Analogues. 
Journal of Molecular Biology (1998) 282, 667-681.

Peterková J., Dušek M., Petříček V., Loub J.:
Structures of Fluoroarsenates: Application of the Heavy-Atom Method for Modulated Structures.
Acta Crystallographica (1998) B54, 809-818.

Dohnálek J., Hašek J., Brynda J., Fábry M., Sedláček J., Konvalinka J., Souček M., Adams M.J., Naylor.E.:
Peptidomimetic Inhibitors Complexed with HIV-1 Protease: Crystallisation for X-ray Diffraction Studies.
Gen. Physiol. Biophys. (1998) 17, 9-11.

Dohnálek J., Hašek J., Dušková J., Petroková H., Hradílek M., Souček M., Konvalinka J., Brynda J., Sedláček J., Fábry J.
Distinct Binding Mode of a Hydroxyethylamine Isostere Inhibitor of HIV-1 Protease.
Acta Crystallographica (2001) D57, 472-476.

Dušková J., Labský J., Hašek J., Císařová I.
3-Ethoxycarbonyl-2,2,5,5-tetramethyl-1H-2,5-dihydropyrrol-1-yloxyl
Acta Crystallographica (2001) E 57, 85–86. 

Dohnálek J., Hašek J., Dušková J., Petroková H., Hradílek M., Souček M., Konvalinka J., Brynda J., Sedláček J., Fábry J.
Hydroxyethylamine Isostere of an HIV-1 Protease Inhibitor Prefers Its Amine to the Hydroxy Group in Binding to Catalytic Aspartates.
Journal of Medicinal Chemistry (2002) 45, 1432-1438.

Skálová T., Hašek J., Dohnálek J., Petroková H., Buchtelová E.
Mutant HIV-1 protease complexed with tetrapeptide inhibitor.
Acta Physica Polonica (2002) A 101, 659-663.

Hašek, J.
Protein Crystallography with Synchrotron Radiation
Materials Structure (2003) 9, 22-25.

Skálová T., Hašek J., Dohnálek J., Petroková H., Buchtelová E., Dušková J., Souček M., Majer P., Uhlíková T., Konvalinka J.
An ethylenamine inhibitor binds tightly to both wild type and mutant HIV-1 proteases. Structure and energy study.
Journal of Medicinal Chemistry (2003) 46, 1636-1644.

Spiwok V., Lipovová P., Skálová T., Buchtelová E., Hašek J., Králová B.
Role of CH/π interactions in substrate binding by Escherichia coli β-galactosidase.
Carbohydrate Research (2004) 339, 2275 – 2280.

Skálová, T., Dohnálek, J., Vondráčková, E., Petroková, H., Spiwok, V., Lipovová, P., Strnad, H., Králová, B., Hašek, J.:
Cold Active b-Galactosidase from Arthrobacter Sp. C2-2 Forms Compact 660 kDa Hexamers:  Crystal Structure at 1.9 Å Resolution.
Journal of Molecular Biology (2005) 353, 282-294.

Hašek, J., Zimmermann, K., Skálová, T., Dohnálek, J., Dušková, J., Petroková, H., Vondráčková, E.
HIV Protease Inhibition Seen by X-ray Diffraction and Molecular Dynamics.
Acta Crystallographica (2005) A61, C242-243.

Petroková, H., Vondráčková, E., Skálová, T., Dohnálek, J., Lipovová, P., Spiwok, V., Strnad, H., Králová, B., Hašek, J.:
Crystallization and Preliminary X-ray Diffraction Analysis of Cold-Active b-Galactosidase from Arthrobacter Sp. C2-2.
Collection of the Czech Chemical Communication (2005) 70, 124-132.

Hašek, J.:
Computer simulations of real molecular systems.
Materials Structure  (2005) 12, 13-15.

Kolenko, P., Dohnálek, J., Štouračová, R., Skálová, T., Tiščenko, G., Dušková, J.,  Hašek. J.: 
Structure of Fc-fragment of the mouse immunoglobulin.
Materials Structure (2005) 12, 146-147.

Hašek, J., Skálová, T., Dohnálek, J., Dušková, J., Petroková, H., Vondráčková, E., Zimmermann, K.:
Drug Design Based on X-ray Diffraction and Steered Molecular Dynamics.
Materials Structure (2005) 12, 208-210.

Dušková, J., Dohnálek, J., Skálová, T., Petroková, H., Vondráčková E., Hradílek M., Konvalinka J., Souček M., Brynda J., Fábry M., Sedláček J., Hašek J. :
On the Role of R-Configuration of the Reaction Intermediate Isostere in HIV-1 Protease Inhibitor Binding X-ray Structure at 2,0 Å Resolution.
Acta Crystallographica D. Biological Crystallography (2006) D62, 331-340.

Dušková, J., Labský, J., Dušek M., Hašek, J.:
3,3,5,5[²H₄]-4-methacrylamido-2,2,6,6-tetra([²H₃]methyl)piperidin-1-yloxyl radical.
Acta Crystallographica (2006) E62, 811-813.

Spiwok V., Lipovová P., Skálová T., Vondráčková E., Dohnálek J., Hašek J., Králová B.:
Modelling of Carbohydrate-Aromatic Interactions: Ab Initio Energetics and Force Field Performance.
Journal of Computer-Aided Molecular Design (2006),  (accepted).  

Dušková, J., Labský, J., Dušek M., Hašek, J.:
The Structure Characterization of Molecules with ESR Spin Labels of Pyroline and Piperidine Type.
Acta Crystallographica (2006), C (accepted).

BOOKS

X-Ray and Neutron Structure Analysis in Materials Science, editor J. Hašek, 406 pages,
ISBN 0-306-43107-6, Plenum Press, New York and London 1989.

Diffraction Methods in Materials Science, editor J. Hašek, 470 pages,
ISBN 1-56072-055-7, Nova Science Publishers Inc., New York 1993.

Advances in Structure Analysis, editors R.Kužel, J.Hašek, 502 pages,
ISBN 80-901748-6-8, CSCA Praha 2001.

Impact factors of journals (2003)