2.4.2.29 - 644930, 679204 2.4.2.29 2-aminolin-benzoguanine inhibitors in complex with TGT, by hanging-drop, vapor diffusion method at 0°C and macro-seeding, to 1.28-1.78 A resolution, crystals belong to space group C2. The 2-amino-lin-benzoguanines are protonated upon binding to TGT. At pH 5.5, Asp102 is rotated to 75% into the guanine binding pocket whereas at pH 8.5 the same residue is oriented to 100% out of the pocket. Pronounced disorder of the attached side chains addressing the ribose 33 binding pocket 703202 2.4.2.29 apoenzyme and in complex with queuine, sitting or hanging drop vapor diffusion method, using 100 mM Tris pH 7.8, 200 mM KBr, 200 mM KSCN, 3% (w/v) polyglutamic acid-LM, 5% (w/v) PEG 4000 758889 2.4.2.29 enzyme-inhibitor complexes with 3,5-diaminophthalhydrazide, 4-aminophthalhydrazide, 5-aminonaphthalene-2,3-hydrazide, 5-amino-3-(1H-[1,2,4]triazole-3-yl-sulfanyl)-phthalhydrazide, 5-amino-3-(5-amino-1H-[1,2,4]triazol-3-yl-sulfanyl)-phthalhydrazide. 1.95 A crystal structure of 4-aminophthalhydrazide in complex with the enzyme 681439 2.4.2.29 in complex with guanine, pre-queuine 0, and pre-queuine 1, hanging drop vapour diffusion method, in 100 mM MES, pH 5.5, 1 mM dithiothreitol, 13% (w/v) PEG 8000, 10% (v/v) dimethyl sulfoxide 688390 2.4.2.29 in complex with linbenzoguanine (6-aminoimidazol[4,5-g]quinazolin-8(7H)-one), hanging drop vapour diffusion method, in with 100 mM MES buffer (pH 5.5), 1 mM dithiothreitol, 8% (w/v) PEG 8000, 10% DMSO, at 20°C 681439 2.4.2.29 mutant K52M, by hanging-drop, vapor-diffusion method and followed by macroseeding, at a resolution of 2.0 A, forms crystals under the same conditions as wild-type, while all attempts to obtain diffracting crystals from mutant Y330F are unsuccessful. Compared to wild-type, crystals of mutant K52M are very fragile and show only a limited diffraction quality 705164 2.4.2.29 TGT in complex with 6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, residues Val45 and Leu68 form a hydrophobic surface that hosts the cyclohexane ring 703213 2.4.2.29 wild-type at pH 5.5 to 1.9 A resolution and in complex with pre-queuine 0 to 1.7 A resolution (both crystals belong to space group C2), and in complex with its natural substrate pre-queuine 1 to 2.4 A resolution (crystal belongs to space group C2221). Mutant Y106F alone to 1.95 A resolution and in complex with pre-queuine 1 to 1.9 A resolution (both crystals belong to space group C2). By macroseeding and the hanging-drop method 703226