Author results

4QRD
  • Download 4qrd
  • View 4qrd
Molmil generated image of 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
4W2F
  • Download 4w2f
  • View 4w2f
Molmil generated image of 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
4W2G
  • Download 4w2g
  • View 4w2g
Molmil generated image of 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
4W2H
  • Download 4w2h
  • View 4w2h
Molmil generated image of 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
2P3T
  • Download 2p3t
  • View 2p3t
Molmil generated image of 2p3t
CRYSTAL STRUCTURE OF HUMAN FACTOR XA COMPLEXED WITH 3-CHLORO-4-(2-METHYLAMINO-IMIDAZOL-1-YLMETHYL)-THIOPHENE-2-CARBOXYLIC ACID [4-CHLORO-2-(5-CHLORO-PYRIDIN-2-YLCARBAMOYL)-6-METHOXY-PHENYL]-AMIDE
Descriptor:Coagulation factor X, CALCIUM ION, CHLORIDE ION, ...
Authors:Adler, M., Whitlow, M.
Deposit date:2007-03-09
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Thiophene-anthranilamides as highly potent and orally available factor xa inhibitors.
J.Med.Chem., 50, 2007
2P3U
  • Download 2p3u
  • View 2p3u
Molmil generated image of 2p3u
CRYSTAL STRUCTURE OF HUMAN FACTOR XA COMPLEXED WITH 3-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPYRIDIN-2-YL)AMINO]CARBONYL}-6-METHOXYPHENYL)-4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHYL]THIOPHENE-2-CARBOXAMIDE {PFIZER 320663}
Descriptor:Coagulation factor X, CALCIUM ION, 3-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPYRIDIN-2-YL)AMINO]CARBONYL}-6-METHOXYPHENYL)-4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHYL]THIOPHENE-2-CARBOXAMIDE
Authors:Adler, M., Whitlow, M.
Deposit date:2007-03-09
Release date:2007-09-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:

2AEI
  • Download 2aei
  • View 2aei
Molmil generated image of 2aei
CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF FACTOR VIIA/TISSUE FACTOR AND 2-[[6-[3-(AMINOIMINOMETHYL)PHENOXY]-3,5-DIFLURO-4-[(1-METHYL-3-PHENYLPROPYL)AMINO]-2-PYRIDINYL]OXY]-BENZOIC ACID
Descriptor:Coagulation factor VII, Tissue factor, CALCIUM ION, ...
Authors:Adler, M., Whitlow, M.
Deposit date:2005-07-22
Release date:2006-08-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:The discovery of fluoropyridine-based inhibitors of the Factor VIIa/TF complex.
Bioorg.Med.Chem.Lett., 15, 2005
4LAE
  • Download 4lae
  • View 4lae
Molmil generated image of 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
4LAG
  • Download 4lag
  • View 4lag
Molmil generated image of 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
4LAH
  • Download 4lah
  • View 4lah
Molmil generated image of 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
4LEK
  • Download 4lek
  • View 4lek
Molmil generated image of 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
1QB9
  • Download 1qb9
  • View 1qb9
Molmil generated image of 1qb9
BOVINE TRYPSIN 7-[[2-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-9H-CARBOZOL-9-YL] METHYL]NAPHTHALENE-2-CARBOXIMIDAMIDE (ZK-806450) COMPLEX
Descriptor:PROTEIN (TRYPSIN), CALCIUM ION, POTASSIUM ION, ...
Authors:Whitlow, M.
Deposit date:1999-04-30
Release date:2000-04-30
Last modified:2014-03-12
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
1QBO
  • Download 1qbo
  • View 1qbo
Molmil generated image of 1qbo
BOVINE TRYPSIN 7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-2-METHYL-BENZIMIDAZOL-1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID ZK-806711 INHIBITOR COMPLEX
Descriptor:PROTEIN (TRYPSIN), CALCIUM ION, 7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-2-METHYL-BENZIMIDAZOL-1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID
Authors:Whitlow, M.
Deposit date:1999-04-26
Release date:2000-05-03
Last modified:2014-03-12
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
1QA0
  • Download 1qa0
  • View 1qa0
Molmil generated image of 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
1QB1
  • Download 1qb1
  • View 1qb1
Molmil generated image of 1qb1
BOVINE TRYPSIN WITH 1-[2-[5-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1-METHYL-1H-IMIDAZOL-2-YL)PHENOXY]PYRIDIN-4-YL]PIPERIDINE-3-CARBOXYLIC ACID (ZK-806974)
Descriptor:PROTEIN (TRYPSIN), CALCIUM ION, 1-[2-[5-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1-METHYL-1H-IMIDAZOL-2-YL)PHENOXY] PYRIDIN-4-YL]PIPERIDINE-3-CARBOXYLIC ACID
Authors:Whitlow, M.
Deposit date:1999-04-28
Release date:2000-04-29
Last modified:2018-01-24
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
1QB6
  • Download 1qb6
  • View 1qb6
Molmil generated image of 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
1QBN
  • Download 1qbn
  • View 1qbn
Molmil generated image of 1qbn
BOVINE TRYPSIN 2-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENOXY]PYRIDINE-4-CARBOXYLIC ACID (ZK-806688) COMPLEX
Descriptor:PROTEIN (TRYPSIN), CALCIUM ION, 2-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENOXY]PYRIDINE-4-CARBOXYLIC ACID
Authors:Whitlow, M.
Deposit date:1999-04-25
Release date:2000-05-03
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
3SQY
  • Download 3sqy
  • View 3sqy
Molmil generated image of 3sqy
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
  • Download 3sr5
  • View 3sr5
Molmil generated image of 3sr5
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
  • Download 3srq
  • View 3srq
Molmil generated image of 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
3SRR
  • Download 3srr
  • View 3srr
Molmil generated image of 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
3SRS
  • Download 3srs
  • View 3srs
Molmil generated image of 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
3SRU
  • Download 3sru
  • View 3sru
Molmil generated image of 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
3SRW
  • Download 3srw
  • View 3srw
Molmil generated image of 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
4GEE
  • Download 4gee
  • View 4gee
Molmil generated image of 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
<12>
PDBj@FacebookPDBj@TwitterwwPDBwwPDB Foundation

Copyright © 2013-2019 Protein Data Bank Japan