Crystallised catalytic domain of matrix metalloproteinase 9 (mmp9) and the use of its three dimensional structure to design mmp9 modulators

A crystalline form of a polypeptide corresponding to the catalytic domain of an MMP9 protein in complex with an MMP9 inhibitor compound.

A crystalline form of a polypeptide corresponding to the active site binding region of an MMP9 protein wherein the active site binding region amino acid residues are identical or equivalent to those listed in Table 1 and the shape of the active site binding region is defined by the atomic coordinates given in Table 2 or Table 3 or by equivalent coordinates.

A method to determine or design the three dimensional structure of a crystal form of MMP9 by difference Fourier or molecular replacement, using the atomic coordinates of a first MMP9 crystal to model the structure of a second MMP9 crystal wherein the active site binding region amino acid residues of the first MMP9 crystal are identical or equivalent to those listed in Table 1 and the shape of the active site binding region of the first MMP9 crystal is defined by the atomic coordinates given in Table 2 or Table 3 or by equivalent coordinates.

A method to select or design a chemical modulator of MMP9 by selecting or designing a modulator with a three dimensional structure that fits into the MMP9 active site binding region, wherein the active site binding region amino acid residues are identical or equivalent to those listed in Table 1 and the shape of the active site binding region is defined by the atomic coordinates given in Table 2 or Table 3 or by equivalent coordinates.