4QRD | | 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
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4W2F | | CRYSTAL STRUCTURE OF THE THERMUS THERMOPHILUS 70S RIBOSOME IN COMPLEX WITH AMICOUMACIN, MRNA AND THREE DEACYLATED TRNAS IN THE A, P AND E SITES | | Descriptor: | 16S Ribosomal RNA, 30S Ribosomal Protein S2, 30S Ribosomal Protein S3, ... | | Authors: | Polikanov, Y.S., Osterman, I.A., Szal, T., Tashlitsky, V.N., Serebryakova, M.V., Kusochek, P., Bulkley, D., Malanicheva, I.A., Efimenko, T.A., Efremenkova, O.V., Konevega, A.L., Shaw, K.J., Bogdanov, A.A., Rodnina, M.V., Dontsova, O.A., Mankin, A.S., Steitz, T.A., Sergiev, P.V. | | Deposit date: | 2014-09-12 | | Release date: | 2014-10-15 | | Last modified: | 2015-01-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Amicoumacin a inhibits translation by stabilizing mRNA interaction with the ribosome.
Mol.Cell, 56, 2014
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4W2G | | CRYSTAL STRUCTURE OF THE THERMUS THERMOPHILUS 70S RIBOSOME IN COMPLEX WITH PACTAMYCIN (SOAKED), MRNA AND THREE DEACYLATED TRNAS IN THE A, P AND E SITES | | Descriptor: | 16S Ribosomal RNA, 30S Ribosomal Protein S2, 30S Ribosomal Protein S3, ... | | Authors: | Polikanov, Y.S., Osterman, I.A., Szal, T., Tashlitsky, V.N., Serebryakova, M.V., Kusochek, P., Bulkley, D., Malanicheva, I.A., Efimenko, T.A., Efremenkova, O.V., Konevega, A.L., Shaw, K.J., Bogdanov, A.A., Rodnina, M.V., Dontsova, O.A., Mankin, A.S., Steitz, T.A., Sergiev, P.V. | | Deposit date: | 2014-09-12 | | Release date: | 2014-10-15 | | Last modified: | 2015-01-14 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Amicoumacin a inhibits translation by stabilizing mRNA interaction with the ribosome.
Mol.Cell, 56, 2014
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4W2H | | CRYSTAL STRUCTURE OF THE THERMUS THERMOPHILUS 70S RIBOSOME IN COMPLEX WITH PACTAMYCIN (CO-CRYSTALLIZED), MRNA AND DEACYLATED TRNA IN THE P SITE | | Descriptor: | 16S Ribosomal RNA, 30S Ribosomal Protein S2, 30S Ribosomal Protein S3, ... | | Authors: | Polikanov, Y.S., Osterman, I.A., Szal, T., Tashlitsky, V.N., Serebryakova, M.V., Kusochek, P., Bulkley, D., Malanicheva, I.A., Efimenko, T.A., Efremenkova, O.V., Konevega, A.L., Shaw, K.J., Bogdanov, A.A., Rodnina, M.V., Dontsova, O.A., Mankin, A.S., Steitz, T.A., Sergiev, P.V. | | Deposit date: | 2014-09-12 | | Release date: | 2014-10-15 | | Last modified: | 2015-01-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Amicoumacin a inhibits translation by stabilizing mRNA interaction with the ribosome.
Mol.Cell, 56, 2014
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2P3T | |
2P3U | |
2AEI | |
4LAE | | 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
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4LAG | | 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
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4LAH | | 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
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4LEK | | 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
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1QB9 | |
1QBO | |
1QA0 | | BOVINE TRYPSIN 2-AMINOBENZIMIDAZOLE COMPLEX | | Descriptor: | TRYPSIN, CALCIUM ION, 2H-BENZOIMIDAZOL-2-YLAMINE | | Authors: | Whitlow, M. | | Deposit date: | 1999-04-09 | | Release date: | 2000-04-10 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999
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1QB1 | |
1QB6 | | BOVINE TRYPSIN 3,3'-[3,5-DIFLUORO-4-METHYL-2, 6-PYRIDINEDIYLBIS(OXY)]BIS(BENZENECARBOXIMIDAMIDE) (ZK-805623) COMPLEX | | Descriptor: | PROTEIN (TRYPSIN), CALCIUM ION, POTASSIUM ION, ... | | Authors: | Whitlow, M. | | Deposit date: | 1999-04-29 | | Release date: | 2000-04-29 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999
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1QBN | |
3SQY | |
3SR5 | |
3SRQ | | 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
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3SRR | | 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
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3SRS | | 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
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3SRU | | 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
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3SRW | | 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
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4GEE | | 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
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