2.1.1.228 (4-aminoquinazolin-2-yl)methyl 3-aminopyrazine-2-carboxylate - 245376 2.1.1.228 (4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate - 245387 2.1.1.228 1-(1H-pyrrol-2-yl)-2-[(thieno[2,3-d]pyrimidin-4-yl)oxy]ethan-1-one - 245460 2.1.1.228 1-(2-phenylpyrimidin-4-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide - 245466 2.1.1.228 1-(3-chlorophenyl)-5-ethyl-N-(4H-1,2,4-triazol-3-yl)-1H-pyrazole-4-carboxamide - 245471 2.1.1.228 1-[(2-chlorophenyl)methyl]-N-(4H-1,2,4-triazol-3-yl)-1H-pyrazole-4-carboxamide - 245485 2.1.1.228 1-[7-(3,4-dimethylbenzoyl)-2H-[1,3]dioxolo[4,5-g]quinolin-8-yl]piperidine-4-carboxamide - 245489 2.1.1.228 1H-indol-4-ylboronic acid - 245497 2.1.1.228 1H-indol-5-ylboronic acid - 245498 2.1.1.228 1H-indole-4-carboxylic acid - 245499 2.1.1.228 2-((6-(3-amino-1H-pyrazol-5-yl)-1H-indol-1-yl)methyl)-benzamide - 245527 2.1.1.228 2-((6-(3-amino-1H-pyrazol-5-yl)-1H-indol-1-yl)methyl)-benzonitrile - 245528 2.1.1.228 2-(1H-inden-2-yl)-5-[2-(1H-indol-3-yl)ethyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione - 245535 2.1.1.228 2-(5-chlorothiophen-2-yl)-2-oxoethyl (3,4-dimethoxyphenyl)acetate - 245607 2.1.1.228 2-(8-fluoro-3,4-dihydroquinolin-1(2H)-yl)-N-(quinolin-5-yl)acetamide - 245610 2.1.1.228 2-oxo-2-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)ethyl 2-methylquinoline-4-carboxylate - 245721 2.1.1.228 2-oxo-2-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)ethyl 3-(cyclopropylsulfamoyl)thiophene-2-carboxylate - 245722 2.1.1.228 2-oxo-2-(3-sulfamoylanilino)ethyl 2-(furan-2-yl)quinoline-4-carboxylate - 245723 2.1.1.228 2-oxo-2-[(quinolin-5-yl)amino]ethyl 1-(5-carbamoylpyridin-2-yl)piperidine-4-carboxylate - 245724 2.1.1.228 2-phenyl-7-(quinoline-6-carbonyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one - 245725 2.1.1.228 2-[(3,5-dichloropyridin-2-yl)amino]-2-oxoethyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate - 245733 2.1.1.228 2-[(4-acetylbenzene-1-sulfonyl)amino]thiophene-3-carboxamide - 245756 2.1.1.228 2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl 2-(furan-2-yl)quinoline-4-carboxylate - 245759 2.1.1.228 2-[2-(1-methyl-2-phenyl-2,3-dihydro-1H-indol-3-yl)-2-oxoethyl]-1,3-dioxo-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine-4-carbonitrile - 245775 2.1.1.228 2-[2-(3-chlorophenoxy)acetamido]thiophene-3-carboxamide - 245779 2.1.1.228 2-[2-(4-oxocinnolin-1(4H)-yl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide - 245781 2.1.1.228 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1(4H)-yl]-N-methyl-N-phenylacetamide - 245782 2.1.1.228 2-[5-[2-(methylamino)-1,3-thiazol-4-yl]thiophen-2-yl]acetamide - 245786 2.1.1.228 3-(1H-pyrrol-1-yl)-N-[4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl]benzamide - 245810 2.1.1.228 3-(2-methoxy-2-oxoethoxy)benzyl 1H-pyrazole-4-carboxylate - 245814 2.1.1.228 3-(4-methoxyphenyl)-7-[(1H-pyrrol-2-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine - 245818 2.1.1.228 3-(pyridin-2-ylmethoxy)benzyl 1H-pyrazole-4-carboxylate - 245821 2.1.1.228 3-amino-5-(1-((1-methylpiperidin-2-yl)methyl)-1H-indol-6-yl)-1H-pyrazole-4-carbonitrile - 245826 2.1.1.228 3-amino-5-(1-((1-methylpiperidin-3-yl)methyl)-1H-indol-6-yl)-1H-pyrazole-4-carbonitrile - 245827 2.1.1.228 3-amino-5-(1-((2-hydroxypyridin-3-yl)methyl)-1H-indol-6-yl)-1H-pyrazole-4-carbonitrile - 245828 2.1.1.228 3-amino-5-(1-((6-hydroxypyridin-3-yl)methyl)-1H-indol-6-yl)-1H-pyrazole-4-carbonitrile - 245829 2.1.1.228 3-amino-5-(1-(4-((4-isopropylpiperazin-1-yl)methyl)-benzyl)-1H-indol-6-yl)-1H-pyrazole-4-carbonitrile - 245830 2.1.1.228 3-amino-5-(1-(4-(morpholinomethyl)benzyl)-1H-indol-6-yl)-1H-pyrazole-4-carbonitrile - 245831 2.1.1.228 3-amino-5-(1-(4-(piperidin-1-ylmethyl)benzyl)-1H-indol-6-yl)-1H-pyrazole-4-carbonitrile - 245832 2.1.1.228 3-amino-5-(1-(pyridin-3-ylmethyl)-1H-indol-6-yl)-1H-pyrazole-4-carbonitrile - 245833 2.1.1.228 3-amino-5-(1-(pyridin-4-ylmethyl)-1H-indol-6-yl)-1H-pyrazole-4-carbonitrile - 245834 2.1.1.228 3-amino-5-(1-(quinolin-4-ylmethyl)-1H-indol-6-yl)-1H-pyrazole-4-carbonitrile - 245835 2.1.1.228 3-amino-5-(1-benzyl-1H-indol-6-yl)-1H-pyrazole-4-carbonitrile - 245836 2.1.1.228 3-amino-5-(1H-indol-6-yl)-1H-pyrazole-4-carbonitrile - 245837 2.1.1.228 3-amino-5-(3-chloro-1-(pyridin-3-ylmethyl)-1H-indol-6-yl)-1H-pyrazole-4-carbonitrile - 245838 2.1.1.228 3-amino-5-[1-([4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl)-1H-indol-6-yl]-1H-pyrazole-4-carbonitrile - 245839 2.1.1.228 3-amino-5-[1-([4-[(pyrrolidin-1-yl)methyl]phenyl]methyl)-1H-indol-6-yl]-1H-pyrazole-4-carbonitrile - 245840 2.1.1.228 3-amino-5-[1-([5-[(pyrrolidin-1-yl)methyl]pyridin-2-yl]methyl)-1H-indol-6-yl]-1H-pyrazole-4-carbonitrile - 245841 2.1.1.228 3-amino-5-[1-[(pyridin-2-yl)methyl]-1H-indol-6-yl]-1H-pyrazole-4-carbonitrile - 245842 2.1.1.228 3-cyanobenzyl 1H-pyrazole-4-carboxylate - 245850 2.1.1.228 3-ethoxybenzyl 1H-pyrazole-4-carboxylate - 245851 2.1.1.228 3-methoxy-5-(pyridin-3-yl)benzyl 1H-pyrazole-4-carboxylate - 245862 2.1.1.228 3-methoxy-5-(pyridin-3-ylmethyl)benzyl-1H-pyrazole-4-carboxylate - 245863 2.1.1.228 3-methoxy-5-(pyrrolidin-1-yl)benzyl 1H-pyrazole-4-carboxylate - 245864 2.1.1.228 3-methoxybenzyl 1H-pyrazole-4-carboxylate - 245865 2.1.1.228 3-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide - 245868 2.1.1.228 3-oxo-N-[1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide - 245869 2.1.1.228 3-oxo-N-[[2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide - 245870 2.1.1.228 3-phenethoxybenzyl 1H-pyrazole-4-carboxylate - 245871 2.1.1.228 4-((4-azidobenzyl)oxy)-N-(4-((octylamino)methyl)benzyl)thieno-[2,3-d]pyrimidine-5-carboxamide - 245913 2.1.1.228 4-(hexyloxy)-N-(4-((octylamino)methyl)benzyl)thieno[2,3-d]-pyrimidine-5-carboxamide - 245970 2.1.1.228 4-(methoxycarbonyl)benzyl 1H-pyrazole-4-carboxylate - 245971 2.1.1.228 4-methoxy-N-(4-(morpholinomethyl)benzyl)thieno[2,3-d]-pyrimidine-5-carboxamide - 246016 2.1.1.228 4-methyl-5-(1-(4-(pyrrolidin-1-ylmethyl)benzyl)-1H-indol-6-yl)-1H-pyrazol-3-amine - 246018 2.1.1.228 4-nitrobenzyl 1H-pyrazole-4-carboxylate - 246020 2.1.1.228 4-oxo-N-(4-((pentylamino)methyl)benzyl)-3,4-dihydrothieno-[2,3-d]pyrimidine-5-carboxamide - 246039 2.1.1.228 4-oxo-N-(4-(piperidin-1-ylmethyl)benzyl)-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide - 246040 2.1.1.228 4-[(tetrazolo[1,5-b]pyridazin-6-yl)amino]benzamide - 246053 2.1.1.228 4-[3-(8-hydroxyimidazo[1,2-a]pyridin-2-yl)-2,5-dimethyl-1H-pyrrol-1-yl]benzene-1-sulfonamide - 246060 2.1.1.228 4-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]thiomorpholine - 246062 2.1.1.228 5'-[(2-aminoethyl)thio]-5'-deoxy-adenosine - 28721 2.1.1.228 5,7-dimethyl-N-(4H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide - 246104 2.1.1.228 5-(1-(3-methoxybenzyl)-1H-indol-6-yl)-1H-pyrazol-3-amine - 246107 2.1.1.228 5-(1-(4-(piperidin-1-ylmethyl)benzyl)-1H-indol-6-yl)-1H-pyrazol-3-amine - 246108 2.1.1.228 5-(1-(4-methoxybenzyl)-1H-indol-6-yl)-1H-pyrazol-3-amine - 246109 2.1.1.228 5-(1-benzyl-1H-indol-6-yl)-1H-pyrazol-3-amine - 246110 2.1.1.228 5-(1H-indol-6-yl)-1H-pyrazol-3-amine - 246111 2.1.1.228 5-(3-methoxyphenyl)-1H-pyrazol-3-amine - 246112 2.1.1.228 5-(4-methoxyphenyl)-1H-pyrazol-3-amine - 246137 2.1.1.228 5-(4-methylphenyl)-1H-pyrazol-3-amine - 246138 2.1.1.228 5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4(3H)-one - 246142 2.1.1.228 5-phenyl-1H-pyrazol-3-amine - 246183 2.1.1.228 5-[1-([4-[(pyrrolidin-1-yl)methyl]phenyl]methyl)-1H-indol-6-yl]-1H-pyrazol-3-amine - 246203 2.1.1.228 5-[1-[(pyridin-2-yl)methyl]-1H-indol-6-yl]-1H-pyrazol-3-amine - 246204 2.1.1.228 5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(3-fluorophenyl)-7-methyl-3-(1H-pyrrol-1-yl)-2,3,3a,5-tetrahydro-4H-pyrazolo[3,4-d]pyridazin-4-one - 246205 2.1.1.228 6-(2-[[(furan-2-yl)methyl]amino]-1,3-thiazol-4-yl)-3,4-dihydroquinolin-2(1H)-one - 246223 2.1.1.228 6-Chloropurine - 2823 2.1.1.228 6-[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl][1,2,4]triazolo[4,3-a]pyridine - 246241 2.1.1.228 adenosine - 122 2.1.1.228 AdoButyn an S-adenosyl-L-methionine analogue 28696 2.1.1.228 AdoPropen an S-adenosyl-L-methionine analogue 28697 2.1.1.228 benzyl 1H-pyrazole-4-carboxylate - 246276 2.1.1.228 DTT TrmD has maximal activity below 1 mM DTT and loses 20% of its activity above that value 177 2.1.1.228 DTT TRM5 displays maximal activity above 1 mM DTT and loses 20% of its activity below that value 177 2.1.1.228 ethyl 1-(3-(3-(((1H-pyrazole-4-carbonyl)oxy)methyl)-5-methoxyphenyl)prop-2-yn-1-yl)-1H-pyrazole-4-carboxylate - 246308 2.1.1.228 ethyl 1H-pyrazole-4-carboxylate - 246311 2.1.1.228 ethyl 4-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzoate - 246319 2.1.1.228 glycerol the Escherichia coli TRmD performs best in the absence of glycerol, its activity decresaing linearly with increasing glycerol concentrations. No activity at 50% glycerol 135 2.1.1.228 Inosine - 167 2.1.1.228 KCl the enzyme is most active in absence of KCl 79 2.1.1.228 KCl TRM5 enzyme is stimulated 4fold by 100 mM KCl. TRM5 tends to lose all activity in 600 mM KCl 79 2.1.1.228 methionine - 692 2.1.1.228 methylthioadenosine - 3648 2.1.1.228 additional information fragments of S-adenosyl-L-methionine, adenosine and methionine, are selectively inhibitory of TrmD, while they are poor inhibitors for Trm5 from Methanocaldococcus jannaschii 2 2.1.1.228 additional information fragments of S-adenosyl-L-methionine, adenosine and methionine, are poor inhibitors of Trm5, while they are selectve inhibitors for TrmD from Escherichia coli 2 2.1.1.228 additional information high-throughput small-molecule library inhibitor screening, antibacterial growth inhibitory activities and haemolytic activity of selected TrmD inhibitors, binding affinity confirmed by thermal stability and surface plasmon resonance, overview 2 2.1.1.228 additional information the N-terminal domain is a useful construct to probe the molecular interactions with SAM competitive inhibitors, in the search for molecules with antibiotic activity 2 2.1.1.228 additional information development of inhibitors against Mycobacterium abscessus tRNA (m1G37) methyltransferase (TrmD) using fragment-based approaches, inhibitor screening, overview. Determination of inhibitor thermodynamics and binding kinetics 2 2.1.1.228 additional information synthesis of thienopyrimidinone derivatives that inhibit bacterial tRNA (guanine37-N1)-methyltransferase (TrmD) by restructuring the active site with a tyrosine-flipping mechanism, overview. The tyrosine-flipping mechanism is uniquely found in Pseudomonas aeruginosa TrmD and renders the enzyme inaccessible to the cofactor S-adenosyl-L-methionine (SAM) and probably to the substrate tRNA 2 2.1.1.228 additional information synthesis of thienopyrimidinone derivatives that inhibit bacterial tRNA (guanine37-N1)-methyltransferase (TrmD) by restructuring the active site with a tyrosine-flipping mechanism, nanomolar potency against TrmD in vitro, overview. This tyrosine-flipping mechanism is uniquely found in Pseudomonas aeruginosa TrmD and renders the enzyme inaccessible to the cofactor S-adenosyl-L-methionine (SAM) and probably to the substrate tRNA. Biochemical structure-activity relationships (SAR) for TrmD inhibitors, the thienopyrimidinone substituent flexibility is critical for potent TrmD inhibition. Analysis of hemolytic activity of the compounds. Effect of side chain length of 15 analogues 2 2.1.1.228 N-(2-methoxy-5-methylphenyl)-N'-[1,2,4]triazolo[4,3-a]pyridin-3-ylurea - 246543 2.1.1.228 N-(3,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide - 246554 2.1.1.228 N-(3-acetylphenyl)-N2-[5-chloro-2-(pyrrolidin-1-yl)phenyl]glycinamide - 246562 2.1.1.228 N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-chloropyridine-2-carboxamide - 246567 2.1.1.228 N-(3-carbamoylthiophen-2-yl)-2-(pyridin-4-yl)quinoline-4-carboxamide - 246568 2.1.1.228 N-(3-cyanothiophen-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide - 246569 2.1.1.228 N-(4-((((3s,5s,7s)-adamantan-1-yl)amino)methyl)benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide - 246576 2.1.1.228 N-(4-(((2-(2-(2-aminoethoxy)ethoxy)ethyl)amino)methyl)-benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide - 246577 2.1.1.228 N-(4-(((2-(2-ethoxyethoxy)ethyl)amino)methyl)benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide - 246578 2.1.1.228 N-(4-(((2-(2-hydroxyethoxy)ethyl)amino)methyl)benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide - 246579 2.1.1.228 N-(4-(((4-aminobutyl)amino)methyl)benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide dihydrochloride - 246580 2.1.1.228 N-(4-(((5-(1,5-dihydroxy-4-oxo-1,4-dihydropyridine-2-carboxamido)pentyl)amino) methyl)benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide - 246581 2.1.1.228 N-(4-(((5-aminopentyl)amino)methyl)benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide - 246582 2.1.1.228 N-(4-(((7-aminohexyl)amino)methyl)benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide - 246583 2.1.1.228 N-(4-((1,5-dihydroxy-4-oxo-1,4-dihydropyridine-2-carboxamido)methyl)benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]-pyrimidine-5-carboxamide - 246584 2.1.1.228 N-(4-((benzyl(ethyl)amino)methyl)benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide - 246586 2.1.1.228 N-(4-((benzyl(hexyl)amino)methyl)benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide - 246587 2.1.1.228 N-(4-((benzyl(octyl)amino)methyl)benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide - 246588 2.1.1.228 N-(4-((benzylamino)methyl)benzyl)-4-(hexyloxy)thieno[2,3-d]-pyrimidine-5-carboxamide - 246589 2.1.1.228 N-(4-((benzylamino)methyl)benzyl)-4-methoxythieno[2,3-d]-pyrimidine-5-carboxamide - 246590 2.1.1.228 N-(4-((benzylamino)methyl)benzyl)-4-oxo-3,4-dihydrothieno-[2,3-d]pyrimidine-5-carboxamide - 246591 2.1.1.228 N-(4-((benzylamino)methyl)benzyl)-4-propoxythieno[2,3-d]-pyrimidine-5-carboxamide - 246592 2.1.1.228 N-(4-((butylamino)methyl)benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide - 246593 2.1.1.228 N-(4-((cyclohexyl(ethyl)amino)methyl)benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide enzyme-bound crystal structure, overview 246594 2.1.1.228 N-(4-((cyclohexyl(ethyl)amino)methyl)benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide - 246594 2.1.1.228 N-(4-((cyclohexylamino)methyl)benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide - 246595 2.1.1.228 N-(4-((decylamino)methyl)benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide - 246596 2.1.1.228 N-(4-((diethylamino)methyl)benzyl)-4-oxo-3,4-dihydrothieno-[2,3-d]pyrimidine-5-carboxamide enzyme-bound crystal structure, overview 246597 2.1.1.228 N-(4-((dodecylamino)methyl)benzyl)-4-oxo-3,4-dihydrothieno-[2,3-d]pyrimidine-5-carboxamide - 246598 2.1.1.228 N-(4-((ethyl(octyl)amino)methyl)benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide - 247112 2.1.1.228 N-(4-((octylamino)methyl)benzyl)-4-moxythieno[2,3-d]-pyrimidine-5-carboxamide - 246599 2.1.1.228 N-(4-((octylamino)methyl)benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide enzyme-bound crystal structure, overview 246600 2.1.1.228 N-(4-((octylamino)methyl)benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide - 246600 2.1.1.228 N-(4-((octylamino)methyl)benzyl)-4-propoxythieno[2,3-d]-pyrimidine-5-carboxamide - 246601 2.1.1.228 N-(4-(morpholinomethyl)benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide - 246608 2.1.1.228 N-(4-(morpholinomethyl)benzyl)-4-propoxythieno[2,3-d]-pyrimidine-5-carboxamide - 246609 2.1.1.228 N-([1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-4-yl]methyl)-1H-indole-2-carboxamide - 246642 2.1.1.228 N-([2-[(morpholin-4-yl)methyl]phenyl]methyl)-2-(thiophene-2-carbonyl)benzamide - 246645 2.1.1.228 N-([4-[(4-aminopiperidin-1-yl)methyl]phenyl]methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide the binding of AZ51 does not induce the side chain flip of Tyr111 in MtbTrmD, while the corresponding residue Tyr120 in PaTrmD turned 180° to form stacking interactions with the phenyl ring of the inhibitor, enzyme-bound crystal structure, overview 246647 2.1.1.228 N-([4-[(4-aminopiperidin-1-yl)methyl]phenyl]methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide i.e. AZ51, inhibitor binding induces conformational changes of the wall loop, whereupon the side chain of aromatic ring of Tyr120 flips about 180° and forms stacking interactions with both the phenyl and piperidine rings of AZ51. This feature appears unique to AZ51 and P 246647 2.1.1.228 N-([4-[(4-aminopiperidin-1-yl)methyl]phenyl]methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide - 246647 2.1.1.228 N-ethyl-1H-pyrazole-4-carboxamide - 246735 2.1.1.228 N-methyl-1-[2-([[2-(pyridin-3-yl)quinazolin-4-yl]amino]methyl)phenyl]methanesulfonamide - 246736 2.1.1.228 N-methyl-N-[(oxan-4-yl)methyl]-2-(thiophen-3-yl)acetamide - 246738 2.1.1.228 N-methyl-N-[[2-(pyrrolidin-1-yl)phenyl]methyl]-3-(1H-pyrrol-1-yl)benzamide - 246739 2.1.1.228 N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinoline-6-carboxamide - 246744 2.1.1.228 N-[1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-3-yl]-1H-indole-2-carboxamide - 246768 2.1.1.228 N-[1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-3-yl]-2-(thiophen-2-yl)acetamide - 246769 2.1.1.228 N-[2-oxo-2-[(1,3,5-trimethyl-4,5-dihydro-1H-pyrazol-4-yl)amino]ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide - 246773 2.1.1.228 N-[3-(pyridin-4-yl)-1,2-oxazol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide - 246776 2.1.1.228 N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-2-carboxamide - 246777 2.1.1.228 N-[3-[(3-fluoro-4-methylphenyl)carbamoyl]phenyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide - 246779 2.1.1.228 N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propanamide - 246783 2.1.1.228 N-[4-chloro-3-(pyrrolidine-1-sulfonyl)phenyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide - 246789 2.1.1.228 N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-(thiophene-2-carbonyl)benzamide - 246809 2.1.1.228 S-adenosyl-L-homocysteine an S-adenosyl-L-methionine analogue 36 2.1.1.228 S-methyl-L-cysteine - 929 2.1.1.228 sinefungin - 659 2.1.1.228 sinefungin an S-adenosyl-L-methionine analogue 659 2.1.1.228 sinefungin competitive inhibitor 659 2.1.1.228 sinefungin an active-site inhibitor and S-adenosyl-L-methionine (SAM) analogue, that binds at the N-terminal dommain in the SAM binding site. Structure analysis of crystallized isolated dimeric NTD, overview 659 2.1.1.228 sinefungin and isosteric SAM analogue in which the methyl group of SAM is replaced by an amino group and the sulfur by a carbon atom, competitive inhibition with respect to SAM and uncompetitive for tRNA. A set of crystal structures of the homodimeric PaTrmD protein bound to SAM and sinefungin provide the molecular basis for enzyme competitive inhibition and identify the location of the bound divalent ion. Crystal structure of PaTrmD bound to the SAM-competitive inhibitor sinefungin (SFG) is refined at a resolution of 2.45 A. In order to unambiguously locate the divalent ion, a third structure where crystals of PaTrmD are soaked with Mn2+ and SFG is determined. One Mn2+ near each of the bound sinefungin can be built. Mn2+ is coordinated by side-chain carbonyl group of E173', carboxylic groups of E121, D174' and D182' and the nitrogen atom of the sinefungin tail 659 2.1.1.228 suramin - 704 2.1.1.228 [4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl][1-(4-methoxyphenyl)cyclohexyl]methanone - 246986 2.1.1.228 [5-(furan-2-yl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]methyl pyrazine-2-carboxylate - 246995