Author results

1IE0
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CRYSTAL STRUCTURE OF LUXS
Descriptor:AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, ZINC ION, GLYCEROL
Authors:Hilgers, M.T., Ludwig, M.L.
Deposit date:2001-04-05
Release date:2001-10-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the quorum-sensing protein LuxS reveals a catalytic metal site.
Proc.Natl.Acad.Sci.USA, 98, 2001
4HWO
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CRYSTAL STRUCTURE OF E. COLI THREONYL-TRNA SYNTHETASE BOUND TO A NOVEL INHIBITOR
Descriptor:Threonine--tRNA ligase, ZINC ION, N-{[3-(4-aminoquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide
Authors:Hilgers, M.T.
Deposit date:2012-11-08
Release date:2013-09-18
Method:X-RAY DIFFRACTION (1.907 Å)
Cite:Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design.
J.Med.Chem., 56, 2013
4HWP
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CRYSTAL STRUCTURE OF E. COLI THREONYL-TRNA SYNTHETASE BOUND TO A NOVEL INHIBITOR
Descriptor:Threonine--tRNA ligase, ZINC ION, N-{[3-(4-amino-2-methylquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide
Authors:Hilgers, M.T.
Deposit date:2012-11-08
Release date:2013-09-18
Method:X-RAY DIFFRACTION (1.807 Å)
Cite:Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design.
J.Med.Chem., 56, 2013
4HWR
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CRYSTAL STRUCTURE OF E. COLI THREONYL-TRNA SYNTHETASE BOUND TO A NOVEL INHIBITOR
Descriptor:Threonine--tRNA ligase, ZINC ION, N-{[3-(2H-indazol-5-yl)phenyl]sulfonyl}-L-threoninamide
Authors:Hilgers, M.T.
Deposit date:2012-11-08
Release date:2013-09-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design.
J.Med.Chem., 56, 2013
4HWS
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CRYSTAL STRUCTURE OF E. COLI THREONYL-TRNA SYNTHETASE BOUND TO A NOVEL INHIBITOR
Descriptor:Threonine--tRNA ligase, ZINC ION, N-{[3-(4-amino-2-chloroquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide
Authors:Hilgers, M.T.
Deposit date:2012-11-08
Release date:2013-09-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design.
J.Med.Chem., 56, 2013
4HWT
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CRYSTAL STRUCTURE OF HUMAN THREONYL-TRNA SYNTHETASE BOUND TO A NOVEL INHIBITOR
Descriptor:Threonine--tRNA ligase, cytoplasmic, ZINC ION, ...
Authors:Hilgers, M.T.
Deposit date:2012-11-08
Release date:2013-09-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design.
J.Med.Chem., 56, 2013
4LAE
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STRUCTURE-BASED DESIGN OF NEW DIHYDROFOLATE REDUCTASE ANTIBACTERIAL AGENTS: 7-(BENZIMIDAZOL-1-YL)-2,4-DIAMINOQUINAZOLINES
Descriptor:Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine
Authors:Hilgers, M.T.
Deposit date:2013-06-19
Release date:2014-02-19
Last modified:2014-02-26
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-yl)-2,4-diaminoquinazolines.
J.Med.Chem., 57, 2014
4LAG
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STRUCTURE-BASED DESIGN OF NEW DIHYDROFOLATE REDUCTASE ANTIBACTERIAL AGENTS: 7-(BENZIMIDAZOL-1-YL)-2,4-DIAMINOQUINAZOLINES
Descriptor:Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine
Authors:Hilgers, M.T.
Deposit date:2013-06-19
Release date:2014-02-19
Last modified:2014-02-26
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-yl)-2,4-diaminoquinazolines.
J.Med.Chem., 57, 2014
4LAH
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STRUCTURE-BASED DESIGN OF NEW DIHYDROFOLATE REDUCTASE ANTIBACTERIAL AGENTS: 7-(BENZIMIDAZOL-1-YL)-2,4-DIAMINOQUINAZOLINES
Descriptor:Dihydrofolate reductase, 7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hilgers, M.T.
Deposit date:2013-06-19
Release date:2014-02-19
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-yl)-2,4-diaminoquinazolines.
J.Med.Chem., 57, 2014
4LEK
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STRUCTURE-BASED DESIGN OF NEW DIHYDROFOLATE REDUCTASE ANTIBACTERIAL AGENTS: 7-(BENZIMIDAZOL-1-YL)-2,4-DIAMINOQUINAZOLINES
Descriptor:Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 7-[5,6-dimethoxy-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine
Authors:Hilgers, M.T.
Deposit date:2013-06-25
Release date:2014-02-19
Last modified:2014-02-26
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-yl)-2,4-diaminoquinazolines.
J.Med.Chem., 57, 2014
4QRE
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STRUCTURE OF METHIONYL-TRNA SYNTHETASE IN COMPLEX WITH 1-(4-{4-[(1H-BENZIMIDAZOL-2-YLMETHYL)AMINO]-6-(4,5-DIMETHOXY-2-METHYLPHENOXY)PYRIMIDIN-2-YL}PIPERAZIN-1-YL)ETHANONE
Descriptor:Methionyl-tRNA synthetase, 1-(4-{4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(4,5-dimethoxy-2-methylphenoxy)pyrimidin-2-yl}piperazin-1-yl)ethanone, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Hilgers, M.T.
Deposit date:2014-06-30
Release date:2015-07-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and SAR of a Novel Series of Pyrimidine Antibacterials Targeting Methionyl-tRNA Synthetase
to be published
1P31
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CRYSTAL STRUCTURE OF UDP-N-ACETYLMURAMIC ACID:L-ALANINE LIGASE (MURC) FROM HAEMOPHILUS INFLUENZAE
Descriptor:UDP-N-acetylmuramate--alanine ligase, MAGNESIUM ION, URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID
Authors:Mol, C.D., Brooun, A., Dougan, D.R., Hilgers, M.T., Tari, L.W., Wijnands, R.A., Knuth, M.W., McRee, D.E., Swanson, R.V.
Deposit date:2003-04-16
Release date:2003-07-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structures of Active Fully Assembled Substrate- and Product-Bound Complexes of UDP-N-Acetylmuramic Acid:L-Alanine Ligase (MurC) from Haemophilus influenzae.
J.Bacteriol., 185, 2003
1P3D
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CRYSTAL STRUCTURE OF UDP-N-ACETYLMURAMIC ACID:L-ALANINE LIGASE (MURC) IN COMPLEX WITH UMA AND ANP.
Descriptor:UDP-N-acetylmuramate--alanine ligase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE, ...
Authors:Mol, C.D., Brooun, A., Dougan, D.R., Hilgers, M.T., Tari, L.W., Wijnands, R.A., Knuth, M.W., McRee, D.E., Swanson, R.V.
Deposit date:2003-04-17
Release date:2003-07-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structures of Active Fully Assembled Substrate- and Product-Bound Complexes of UDP-N-Acetylmuramic Acid:L-Alanine Ligase (MurC) from Haemophilus influenzae.
J.Bacteriol., 185, 2003
1Q7M
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COBALAMIN-DEPENDENT METHIONINE SYNTHASE (METH) FROM THERMOTOGA MARITIMA (OXIDIZED, MONOCLINIC)
Descriptor:5-methyltetrahydrofolate S-homocysteine methyltransferase
Authors:Evans, J.C., Huddler, D.P., Hilgers, M.T., Romanchuk, G., Matthews, R.G., Ludwig, M.L.
Deposit date:2003-08-19
Release date:2004-03-23
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of the N-terminal modules imply large domain motions during catalysis by methionine synthase.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1Q7Q
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COBALAMIN-DEPENDENT METHIONINE SYNTHASE (1-566) FROM T. MARITIMA (OXIDIZED, ORTHORHOMBIC)
Descriptor:5-methyltetrahydrofolate S-homocysteine methyltransferase
Authors:Evans, J.C., Huddler, D.P., Hilgers, M.T., Romanchuk, G., Matthews, R.G., Ludwig, M.L.
Deposit date:2003-08-19
Release date:2004-03-23
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of the N-terminal modules imply large domain motions during catalysis by methionine synthase.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1Q7Z
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COBALAMIN-DEPENDENT METHIONINE SYNTHASE (1-566) FROM THERMOTOGA MARITIMA (CD2+ COMPLEX)
Descriptor:5-methyltetrahydrofolate S-homocysteine methyltransferase, CADMIUM ION
Authors:Evans, J.C., Huddler, D.P., Hilgers, M.T., Romanchuk, G., Matthews, R.G., Ludwig, M.L.
Deposit date:2003-08-20
Release date:2004-03-23
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of the N-terminal modules imply large domain motions during catalysis by methionine synthase.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1Q85
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COBALAMIN-DEPENDENT METHIONINE SYNTHASE (1-566) FROM THERMOTOGA MARITIMA (CD2+ COMPLEX, SE-MET)
Descriptor:5-methyltetrahydrofolate S-homocysteine methyltransferase, CADMIUM ION
Authors:Evans, J.C., Huddler, D.P., Hilgers, M.T., Romanchuk, G., Matthews, R.G., Ludwig, M.L.
Deposit date:2003-08-20
Release date:2004-03-23
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of the N-terminal modules imply large domain motions during catalysis by methionine synthase.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1Q8A
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COBALAMIN-DEPENDENT METHIONINE SYNTHASE (1-566) FROM THERMOTOGA MARITIMA (CD2+:L-HCY COMPLEX, SE-MET)
Descriptor:5-methyltetrahydrofolate S-homocysteine methyltransferase, CADMIUM ION, 2-AMINO-4-MERCAPTO-BUTYRIC ACID
Authors:Evans, J.C., Huddler, D.P., Hilgers, M.T., Romanchuk, G., Matthews, R.G., Ludwig, M.L.
Deposit date:2003-08-20
Release date:2004-03-23
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of the N-terminal modules imply large domain motions during catalysis by methionine synthase.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1Q8J
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COBALAMIN-DEPENDENT METHIONINE SYNTHASE (1-566) FROM THERMOTOGA MARITIMA (CD2+, HCY, METHYLTETRAHYDROFOLATE COMPLEX)
Descriptor:5-methyltetrahydrofolate S-homocysteine methyltransferase, CADMIUM ION, 2-AMINO-4-MERCAPTO-BUTYRIC ACID, ...
Authors:Evans, J.C., Huddler, D.P., Hilgers, M.T., Romanchuk, G., Matthews, R.G., Ludwig, M.L.
Deposit date:2003-08-21
Release date:2004-03-23
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of the N-terminal modules imply large domain motions during catalysis by methionine synthase.
Proc.Natl.Acad.Sci.Usa, 101, 2004
4QRD
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STRUCTURE OF METHIONYL-TRNA SYNTHETASE IN COMPLEX WITH N-(1H-BENZIMIDAZOL-2-YLMETHYL)-N'-(2,4-DICHLOROPHENYL)-6-(MORPHOLIN-4-YL)-1,3,5-TRIAZINE-2,4-DIAMINE
Descriptor:Methionyl-tRNA synthetase, MAGNESIUM ION, N-(1H-benzimidazol-2-ylmethyl)-N'-(2,4-dichlorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
Authors:Li, X., Hilgers, M.T., Stidham, M., Brown-Driver, V., Shaw, K.J., Finn, J.
Deposit date:2014-06-30
Release date:2015-07-29
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Discovery and SAR of a Novel Series of Pyrimidine Antibacterials Targeting Methionyl-tRNA Synthetase
to be published