Abstract: The invention provides the crystal structure of the cytochrome P450 3A4 protein molecule. The structure is set out in Tables 1-4. The structure may be used in to model the interaction of compounds such as pharmaceuticals with this protein, and to determine the structure of related cytochrome P450 molecules.

Abstract: The invention provides novel inhibitors of protein tyrosine phosphatase sulfenyl amide and their use in medicine, for example in the treatment or prevention of disease states such as cancer, diabetes, rheumatoid arthritis and hypertension. Also provided are novel crystal structures and the use of the crystal structures and their X-ray coordinates in the development of new drugs.

Abstract: A method for identifying a ligand of a target macromolecule is disclosed, comprising the steps of: soaking one or more crystals of the target macromolecule in a solution containing a collection of compounds generated in situ or separate from the crystal, where the solution has been prepared without the purification of the synthesized collection of compounds; obtaining an X-ray crystal diffraction pattern of the soaked macromolecule crystal; and using said X-ray crystal diffraction pattern to identify any compound bound to the macromolecule crystal, said compound being a ligand of the target macromolecule.

Abstract: A method for identifying a ligand of a target macromolecule is disclosed, comprising the steps of: soaking one or more crystals of the target macromolecule in a solution containing a collection of compounds generated in situ or separate from the crystal, where the solution has been prepared without the purification of the synthesized collection of compounds; obtaining an X-ray crystal diffraction pattern of the soaked macromolecule crystal; and using said X-ray crystal diffraction pattern to identify any compound bound to the macromolecule crystal, said compound being a ligand of the target macromolecule.

Abstract: The present invention provides co-crystals of cytochrome P450 2C9 proteins and a ligand such as warfarin which has been crystallised to provide a high resolution structure. The structure may be used for homology modelling of other cytochrome P450 structures such as 2C8, 2C18 and 2C19, and for analysis of the interaction of ligands with P450.

Abstract: The invention provides the crystal structure of the cytochrome P450 3A4 protein molecule. The structure is set out in Table 5. The structure may be used in to model the interaction of compounds such as pharmaceuticals with this protein, and to determine the structure of related cytochrome P450 molecules.

Abstract: The invention provides the crystal structure of the cytochrome P450 3A4 protein molecule. The structure is set out in Tables 1-4. The structure may be used in to model the interaction of compounds such as pharmaceuticals with this protein, and to determine the structure of related cytochrome P450 molecules.

Abstract: The invention provides the crystal structure of the cytochrome P450 3A4 protein molecule. The structure is set out in Table 5. The structure may be used in to model the interaction of compounds such as pharmaceuticals with this protein, and to determine the structure of related cytochrome P450 molecules.

Abstract: The present invention provides cytochrome 2C9 proteins which have been modified to introduce a proline residue at positions 220 or 222 of the wild type sequence which can be crystallised to provide high resolution structures. The structures may be used for homology modelling of other cytochrome P450 structures such as 2C8, 2C18 and 2C19, and for analysis of the interaction of ligands with P450.

Abstract: The present invention provides cytochrome 2C9 proteins which have been modified to introduce a proline residue at positions 220 or 222 of the wild type sequence which can be crystallised to provide high resolution structures. The structures may be used for homology modelling of other cytochrome P450 structures such as 2C8, 2C18 and 2C19, and for analysis of the interaction of ligands with P450.