Author results

1RQI
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ACTIVE CONFORMATION OF FARNESYL PYROPHOSPHATE SYNTHASE BOUND TO ISOPENTYL PYROPHOSPHATE AND DIMETHYLALLYL S-THIOLODIPHOSPHATE
Descriptor:Geranyltranstransferase, MAGNESIUM ION, DIMETHYLALLYL S-THIOLODIPHOSPHATE, ...
Authors:Hosfield, D.J., Zhang, Y., Dougan, D.R., Brooun, A., Tari, L.W., Swanson, R.V., Finn, J.
Deposit date:2003-12-05
Release date:2004-03-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural basis for bisphosphonate-mediated inhibition of isoprenoid biosynthesis
J.Biol.Chem., 279, 2004
1RQJ
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ACTIVE CONFORMATION OF FARNESYL PYROPHOSPHATE SYNTHASE BOUND TO ISOPENTYL PYROPHOSPHATE AND RISEDRONATE
Descriptor:Geranyltranstransferase, MAGNESIUM ION, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ...
Authors:Hosfield, D.J., Zhang, Y., Dougan, D.R., Brooun, A., Tari, L.W., Swanson, R.V., Finn, J.
Deposit date:2003-12-05
Release date:2004-03-02
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for bisphosphonate-mediated inhibition of isoprenoid biosynthesis
J.Biol.Chem., 279, 2004
1RTR
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CRYSTAL STRUCTURE OF S. AUREUS FARNESYL PYROPHOSPHATE SYNTHASE
Descriptor:geranyltranstransferase
Authors:Hosfield, D.J., Zhang, Y., Dougan, D.R., Brooun, A., Tari, L.W., Swanson, R.V., Finn, J.
Deposit date:2003-12-10
Release date:2004-03-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for bisphosphonate-mediated inhibition of isoprenoid biosynthesis
J.Mol.Biol., 279, 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
4GEE
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PYRROLOPYRIMIDINE INHIBITORS OF DNA GYRASE B AND TOPOISOMERASE IV, PART I: STRUCTURE GUIDED DISCOVERY AND OPTIMIZATION OF DUAL TARGETING AGENTS WITH POTENT, BROAD-SPECTRUM ENZYMATIC ACTIVITY.
Descriptor:DNA gyrase subunit B, (1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine, GLYCEROL
Authors:Bensen, D.C., Chen, Z., Tari, L.W.
Deposit date:2012-08-01
Release date:2013-02-13
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4GFN
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PYRROLOPYRIMIDINE INHIBITORS OF DNA GYRASE B AND TOPOISOMERASE IV, PART I: STRUCTURE GUIDED DISCOVERY AND OPTIMIZATION OF DUAL TARGETING AGENTS WITH POTENT, BROAD-SPECTRUM ENZYMATIC
Descriptor:DNA gyrase subunit B, (1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine, GLYCEROL
Authors:Bensen, D.C., Trzoss, M., Tari, L.W.
Deposit date:2012-08-03
Release date:2013-02-13
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4GGL
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PYRROLOPYRIMIDINE INHIBITORS OF DNA GYRASE B AND TOPOISOMERASE IV, PART I: STRUCTURE GUIDED DISCOVERY AND OPTIMIZATION OF DUAL TARGETING AGENTS WITH POTENT, BROAD-SPECTRUM ENZYMATIC ACTIVITY
Descriptor:DNA gyrase subunit B, 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one, GLYCEROL
Authors:Bensen, D.C., Creighton, C.J., Tari, L.W.
Deposit date:2012-08-06
Release date:2013-02-13
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4HXW
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PYRROLOPYRIMIDINE INHIBITORS OF DNA GYRASE B AND TOPOISOMERASE IV, PART I: STRUCTURE GUIDED DISCOVERY AND OPTIMIZATION OF DUAL TARGETING AGENTS WITH POTENT, BROAD-SPECTRUM ENZYMATIC ACTIVITY.
Descriptor:DNA gyrase subunit B, (3R)-1-[5-chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine, TERTIARY-BUTYL ALCOHOL
Authors:Bensen, D.C., Trzoss, M., Tari, L.W.
Deposit date:2012-11-12
Release date:2013-02-13
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4HXZ
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PYRROLOPYRIMIDINE INHIBITORS OF DNA GYRASE B AND TOPOISOMERASE IV, PART I: STRUCTURE GUIDED DISCOVERY AND OPTIMIZATION OF DUAL TARGETING AGENTS WITH POTENT, BROAD-SPECTRUM ENZYMATIC ACTIVITY.
Descriptor:Topoisomerase IV, subunit B, 6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
Authors:Bensen, D.C., Creighton, C.J., Kwan, B., Tari, L.W.
Deposit date:2012-11-12
Release date:2013-02-13
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4HY1
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PYRROLOPYRIMIDINE INHIBITORS OF DNA GYRASE B AND TOPOISOMERASE IV, PART I: STRUCTURE GUIDED DISCOVERY AND OPTIMIZATION OF DUAL TARGETING AGENTS WITH POTENT, BROAD-SPECTRUM ENZYMATIC ACTIVITY.
Descriptor:Topoisomerase IV, subunit B, 6-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1H-isoindol-1-one
Authors:Bensen, D.C., Creighton, C.J., Kwan, B., Tari, L.W.
Deposit date:2012-11-12
Release date:2013-02-13
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4HYM
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PYRROLOPYRIMIDINE INHIBITORS OF DNA GYRASE B AND TOPOISOMERASE IV, PART I: STRUCTURE GUIDED DISCOVERY AND OPTIMIZATION OF DUAL TARGETING AGENTS WITH POTENT, BROAD-SPECTRUM ENZYMATIC ACTIVITY.
Descriptor:Topoisomerase IV, subunit B, 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one
Authors:Bensen, D.C., Creighton, C.J., Kwan, B., Tari, L.W.
Deposit date:2012-11-13
Release date:2013-02-13
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4HYP
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PYRROLOPYRIMIDINE INHIBITORS OF DNA GYRASE B AND TOPOISOMERASE IV, PART I: STRUCTURE GUIDED DISCOVERY AND OPTIMIZATION OF DUAL TARGETING AGENTS WITH POTENT, BROAD-SPECTRUM ENZYMATIC ACTIVITY.
Descriptor:DNA gyrase subunit B, N-[7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]cyclopropanecarboxamide, MAGNESIUM ION
Authors:Bensen, D.C., Creighton, C.J., Tari, L.W.
Deposit date:2012-11-13
Release date:2013-02-13
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4HZ0
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PYRROLOPYRIMIDINE INHIBITORS OF DNA GYRASE B AND TOPOISOMERASE IV, PART I: STRUCTURE GUIDED DISCOVERY AND OPTIMIZATION OF DUAL TARGETING AGENTS WITH POTENT, BROAD-SPECTRUM ENZYMATIC ACTIVITY.
Descriptor:DNA topoisomerase 4 subunit B, 7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-amine, MAGNESIUM ION
Authors:Bensen, D.C., Trzoss, M., Tari, L.W.
Deposit date:2012-11-14
Release date:2013-02-13
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4HZ5
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PYRROLOPYRIMIDINE INHIBITORS OF DNA GYRASE B AND TOPOISOMERASE IV, PART I: STRUCTURE GUIDED DISCOVERY AND OPTIMIZATION OF DUAL TARGETING AGENTS WITH POTENT, BROAD-SPECTRUM ENZYMATIC ACTIVITY
Descriptor:DNA topoisomerase IV, B subunit, 6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
Authors:Bensen, D.C., Creighton, C.J., Tari, L.W.
Deposit date:2012-11-14
Release date:2013-02-13
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
3SQY
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S. AUREUS DIHYDROFOLATE REDUCTASE COMPLEXED WITH NOVEL 7-ARYL-2,4-DIAMINOQUINAZOLINES
Descriptor:Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 7-(2-methoxyphenyl)quinazoline-2,4-diamine
Authors:Hilgers, M.
Deposit date:2011-07-06
Release date:2011-08-31
Last modified:2011-10-19
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
3SR5
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S. AUREUS DIHYDROFOLATE REDUCTASE COMPLEXED WITH NOVEL 7-ARYL-2,4-DIAMINOQUINAZOLINES
Descriptor:Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine
Authors:Hilgers, M.
Deposit date:2011-07-06
Release date:2011-08-31
Last modified:2011-10-19
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
3SRQ
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S. AUREUS DIHYDROFOLATE REDUCTASE COMPLEXED WITH NOVEL 7-ARYL-2,4-DIAMINOQUINAZOLINES
Descriptor:Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 1-[3-(2,4-diamino-6-methylquinazolin-7-yl)phenyl]ethanone
Authors:Hilgers, M.
Deposit date:2011-07-07
Release date:2011-08-31
Last modified:2011-10-19
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
3SRR
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S. AUREUS DIHYDROFOLATE REDUCTASE COMPLEXED WITH NOVEL 7-ARYL-2,4-DIAMINOQUINAZOLINES
Descriptor:Dihydrofolate reductase, 3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxybenzaldehyde, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hilgers, M.
Deposit date:2011-07-07
Release date:2011-08-31
Last modified:2011-10-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
3SRS
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S. AUREUS DIHYDROFOLATE REDUCTASE COMPLEXED WITH NOVEL 7-ARYL-2,4-DIAMINOQUINAZOLINES
Descriptor:Dihydrofolate reductase, 7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hilgers, M.
Deposit date:2011-07-07
Release date:2011-08-31
Last modified:2011-10-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
3SRU
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S. AUREUS DIHYDROFOLATE REDUCTASE COMPLEXED WITH NOVEL 7-ARYL-2,4-DIAMINOQUINAZOLINES
Descriptor:Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, N-[3'-(2,4-diaminoquinazolin-7-yl)-4'-ethoxybiphenyl-3-yl]methanesulfonamide
Authors:Hilgers, M.
Deposit date:2011-07-07
Release date:2011-08-31
Last modified:2011-10-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
3SRW
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S. AUREUS DIHYDROFOLATE REDUCTASE COMPLEXED WITH NOVEL 7-ARYL-2,4-DIAMINOQUINAZOLINES
Descriptor:Dihydrofolate reductase, 7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hilgers, M.
Deposit date:2011-07-07
Release date:2011-08-31
Last modified:2011-10-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
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
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