title: Crystallization and preliminary X-ray diffraction studies of a catechol-O-methyltransferase/inhibitor complex.
abstract: Inhibitors of the enzyme catechol-O-methyltransferase (COMT) are used as co-adjuvants in the therapy of Parkinson's disease. A recombinant form of the soluble cytosolic COMT from rat has been co-crystallized with a new potent inhibitor, BIA 8-176 [(3,4-dihydroxy-2-nitrophenyl)phenylmethanone], by the vapour-diffusion method using PEG 6K as precipitant. Crystals diffract to 1.6 A resolution on a synchrotron-radiation source and belong to the monoclinic space group P2(1), with unit-cell parameters a = 52.77, b = 79.63, c = 61.54 A, beta = 91.14 degrees.
authors.affiliation: Instituto de Tecnologia Química e Biológica, Universidade Nova de Lisboa, 2781-901 Oeiras, Portugal.
authors.forename: M L
authors.initials: ML
authors.lastname: Rodrigues
authors.forename: M J
authors.initials: MJ
authors.lastname: Bonifácio
authors.forename: P
authors.initials: P
authors.lastname: Soares-da-Silva
authors.forename: M A
authors.initials: MA
authors.lastname: Carrondo
authors.forename: M
authors.initials: M
authors.lastname: Archer
mesh_terms: D000818:Animals; D002394:Catechol O-Methyltransferase / Q000737:chemistry*; D065098:Catechol O-Methyltransferase Inhibitors; D003001:Cloning, Molecular; D003460:Crystallization; D003600:Cytosol / Q000201:enzymology; D004791:Enzyme Inhibitors / Q000737:chemistry*; D004926:Escherichia coli / Q000201:enzymology; D051381:Rats; D011994:Recombinant Proteins / Q000037:antagonists & inhibitors / Q000737:chemistry; D017356:Synchrotrons; D014961:X-Ray Diffraction
chemical_list: D065098:Catechol O-Methyltransferase Inhibitors; D004791:Enzyme Inhibitors; D011994:Recombinant Proteins; D002394:Catechol O-Methyltransferase