Author results

2IQG
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CRYSTAL STRUCTURE OF HYDROXYETHYL SECONDARY AMINE-BASED PEPTIDOMIMETIC INHIBITOR OF HUMAN BETA-SECRETASE (BACE)
Descriptor:Beta-secretase 1, N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-IODOBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
Authors:Benson, T.E., Woods, D.D., Prince, D.B., Tomasselli, A.G., Emmons, T.L.
Deposit date:2006-10-13
Release date:2007-02-27
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design, Synthesis, and Crystal Structure of Hydroxyethyl Secondary Amine-Based Peptidomimetic Inhibitors of Human beta-Secretase.
J.Med.Chem., 50, 2007
2P83
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POTENT AND SELECTIVE ISOPHTHALAMIDE S2 HYDROXYETHYLAMINE INHIBITOR OF BACE1
Descriptor:Beta-secretase 1, PHOSPHATE ION, N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-N~1~,N~1~-DIPROPYLBENZENE-1,3,5-TRICARBOXAMIDE
Authors:Benson, T.E., Prince, D.B., Tomasselli, A.G., Emmons, T.L., Paddock, D.J.
Deposit date:2007-03-21
Release date:2007-06-19
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Potent and selective isophthalamide S(2) hydroxyethylamine inhibitors of BACE1.
Bioorg.Med.Chem.Lett., 17, 2007
4LH6
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CRYSTAL STRUCTURE OF A LIGA INHIBITOR
Descriptor:DNA ligase, 4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, ...
Authors:Benenato, K., Wang, H., Mcguire, H.M., Davis, H., Gao, N., Prince, D.B., Jahic, H., Stokes, S.S., Boriack-Sjodin, P.A.
Deposit date:2013-06-30
Release date:2013-12-25
Last modified:2014-01-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Identification through structure-based methods of a bacterial NAD(+)-dependent DNA ligase inhibitor that avoids known resistance mutations.
Bioorg.Med.Chem.Lett., 24, 2014
4LH7
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CRYSTAL STRUCTURE OF A LIGA INHIBITOR
Descriptor:DNA ligase, 4-aminothieno[3,2-c]pyridine-2,7-dicarboxamide, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, ...
Authors:Boriack-Sjodin, P.A., Prince, D.B.
Deposit date:2013-06-30
Release date:2013-12-25
Last modified:2014-01-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification through structure-based methods of a bacterial NAD(+)-dependent DNA ligase inhibitor that avoids known resistance mutations.
Bioorg.Med.Chem.Lett., 24, 2014
4OKG
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LPXC FROM P.AERUGINOSA WITH THE INHIBITOR 6-(BENZIMIDAZOL-1-YL)-5-[4-[2-[6-[(4-METHYLPIPERAZIN-1-YL)METHYL]-3-PYRIDYL]ETHYNYL]PHENYL]PYRIDINE-3-CARBOHYDROXAMIC ACID
Descriptor:UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, 6-(1H-benzimidazol-1-yl)-N-hydroxy-5-[4-({6-[(4-methylpiperazin-1-yl)methyl]pyridin-3-yl}ethynyl)phenyl]pyridine-3-carboxamide
Authors:Olivier, N.B., Lahiri, S.D., Prince, D.B.
Deposit date:2014-01-22
Release date:2014-09-24
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Overexpression of Pseudomonas aeruginosa LpxC in the Presence of an Inhibitor in an acrB Deletion Escherichia coli strain for Structural Studies
Protein Express.Purif., 2014
4WF1
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CRYSTAL STRUCTURE OF THE E. COLI RIBOSOME BOUND TO NEGAMYCIN.
Descriptor:16S rRNA, 30S ribosomal protein S2, 30S ribosomal protein S3, ...
Authors:Olivier, N.B., Altman, R.B., Noeske, J., Basarab, G.S., Code, E., Ferguson, A.D., Gao, N., Huang, J., Juette, M.F., Livchak, S., Miller, M.D., Prince, D.B., Cate, J.H.D., Buurman, E.T., Blanchard, S.C.
Deposit date:2014-09-11
Release date:2014-11-05
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Negamycin induces translational stalling and miscoding by binding to the small subunit head domain of the Escherichia coli ribosome.
Proc.Natl.Acad.Sci.USA, 111, 2014
1LRZ
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X-RAY CRYSTAL STRUCTURE OF STAPHYLOCOCCUS AUREUS FEMA
Descriptor:factor essential for expression of methicillin resistance
Authors:Benson, T., Prince, D., Mutchler, V., Curry, K., Ho, A., Sarver, R., Hagadorn, J., Choi, G., Garlick, R.
Deposit date:2002-05-16
Release date:2002-09-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray crystal structure of Staphylococcus aureus FemA.
Structure, 10, 2002
2HIZ
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CRYSTAL STRUCTURE OF HUMAN BETA-SECRETASE (BACE) IN THE PRESENCE OF AN INHIBITOR
Descriptor:Beta-secretase 1, PHOSPHATE ION, BENZYL [(1S)-2-({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)-2-OXO-1-{[(1-PROPYLBUTYL)SULFONYL]METHYL}ETHYL]CARBAMATE
Authors:Benson, T.E., Prince, D.B., Tomasselli, A.G., Emmons, T.L., Paddock, D.J.
Deposit date:2006-06-29
Release date:2007-01-23
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design of potent inhibitors of human beta-secretase. Part 1.
Bioorg.Med.Chem.Lett., 17, 2007
2HM1
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CRYSTAL STRUCTURE OF HUMAN BETA-SECRETASE (BACE) IN THE PRESENCE OF AN INHIBITOR (2)
Descriptor:Beta-secretase 1, N-{(1S)-2-({(1S,2R)-1-(3,5-DIFLUOROBENZYL)-3-[(3-ETHYLBENZYL)AMINO]-2-HYDROXYPROPYL}AMINO)-2-OXO-1-[(PENTYLSULFONYL)METHYL]ETHYL}NICOTINAMIDE
Authors:Benson, T.E., Prince, D.B., Tomasselli, A.G., Emmons, T.L., Paddock, D.J.
Deposit date:2006-07-10
Release date:2007-01-23
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design of potent inhibitors of human beta-secretase. Part 2.
Bioorg.Med.Chem.Lett., 17, 2007
3U2D
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S. AUREUS GYRB ATPASE DOMAIN IN COMPLEX WITH SMALL MOLECULE INHIBITOR
Descriptor:DNA gyrase subunit B, 4-bromo-5-methyl-N-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide, MAGNESIUM ION
Authors:Boriack-Sjodin, P.A., Prince, D.B., Eakin, A.E., Sherer, B.A.
Deposit date:2011-10-03
Release date:2012-01-11
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Pyrrolamide DNA gyrase inhibitors: fragment-based nuclear magnetic resonance screening to identify antibacterial agents.
Antimicrob.Agents Chemother., 56, 2012
3U2K
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S. AUREUS GYRB ATPASE DOMAIN IN COMPLEX WITH A SMALL MOLECULE INHIBITOR
Descriptor:DNA gyrase subunit B, 2-chloro-6-(4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)pyridine-4-carboxamide, MAGNESIUM ION
Authors:Boriack-Sjodin, P.A., Prince, D.B., Eakin, A.E., Sherer, B.A.
Deposit date:2011-10-03
Release date:2012-01-11
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Pyrrolamide DNA gyrase inhibitors: fragment-based nuclear magnetic resonance screening to identify antibacterial agents.
Antimicrob.Agents Chemother., 56, 2012
4P71
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APO PHERS FROM P. AEURIGINOSA
Descriptor:Phenylalanine--tRNA ligase beta subunit, Phenylalanine--tRNA ligase alpha subunit
Authors:Ferguson, A.D.
Deposit date:2014-03-25
Release date:2014-06-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4P72
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PHERS IN COMPLEX WITH COMPOUND 2A
Descriptor:Phenylalanine--tRNA ligase beta subunit, Phenylalanine--tRNA ligase alpha subunit, 2-{3-[(4-chloropyridin-2-yl)amino]phenoxy}-N-methylacetamide
Authors:Ferguson, A.D.
Deposit date:2014-03-25
Release date:2014-06-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4P73
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PHERS IN COMPLEX WITH COMPOUND 1A
Descriptor:Phenylalanine--tRNA ligase beta subunit, Phenylalanine--tRNA ligase alpha subunit, 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea
Authors:Ferguson, A.D.
Deposit date:2014-03-25
Release date:2014-06-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4P74
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PHERS IN COMPLEX WITH COMPOUND 3A
Descriptor:Phenylalanine--tRNA ligase beta subunit, Phenylalanine--tRNA ligase alpha subunit, N-[(3S)-1,1-dioxidotetrahydrothiophen-3-yl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
Authors:Ferguson, A.D.
Deposit date:2014-03-25
Release date:2014-06-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4P75
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PHERS IN COMPLEX WITH COMPOUND 4A
Descriptor:Phenylalanine--tRNA ligase beta subunit, Phenylalanine--tRNA ligase alpha subunit, 3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
Authors:Ferguson, A.D.
Deposit date:2014-03-25
Release date:2014-06-25
Last modified:2015-09-30
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4WYY
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CRYSTAL STRUCTURE OF P. AERUGINOSA AMPC
Descriptor:Beta-lactamase, GLYCEROL, DIMETHYL SULFOXIDE, ...
Authors:Ferguson, A.D.
Deposit date:2014-11-18
Release date:2015-08-05
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:4,5-Disubstituted 6-Aryloxy-1,3-dihydrobenzo[c][1,2]oxaboroles Are Broad-Spectrum Serine beta-Lactamase Inhibitors.
ACS Infect Dis, 1, 2015
4WZ4
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CRYSTAL STRUCTURE OF P. AERUGINOSA AMPC
Descriptor:Beta-lactamase, GLYCEROL, {(3R)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid
Authors:Ferguson, A.D.
Deposit date:2014-11-18
Release date:2015-08-05
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:4,5-Disubstituted 6-Aryloxy-1,3-dihydrobenzo[c][1,2]oxaboroles Are Broad-Spectrum Serine beta-Lactamase Inhibitors.
ACS Infect Dis, 1, 2015
4WZ5
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CRYSTAL STRUCTURE OF P. AERUGINOSA OXA10
Descriptor:Beta-lactamase OXA-10, SULFATE ION, {(3R)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid, ...
Authors:Ferguson, A.D.
Deposit date:2014-11-18
Release date:2015-08-05
Last modified:2016-09-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:4,5-Disubstituted 6-Aryloxy-1,3-dihydrobenzo[c][1,2]oxaboroles Are Broad-Spectrum Serine beta-Lactamase Inhibitors.
Acs Infect Dis., 1, 2015
5IT8
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HIGH-RESOLUTION STRUCTURE OF THE ESCHERICHIA COLI RIBOSOME
Descriptor:16S rRNA, 30S ribosomal protein S2, 30S ribosomal protein S3, ...
Authors:Cocozaki, A., Ferguson, A.
Deposit date:2016-03-16
Release date:2016-07-27
Last modified:2018-08-15
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors.
Proc.Natl.Acad.Sci.USA, 113, 2016
5J5B
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STRUCTURE OF THE WT E COLI RIBOSOME BOUND TO TETRACYCLINE
Descriptor:16S rRNA, 30S ribosomal protein S2, 30S ribosomal protein S3, ...
Authors:Cocozaki, A., Ferguson, A.
Deposit date:2016-04-01
Release date:2016-07-27
Last modified:2018-08-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors.
Proc.Natl.Acad.Sci.USA, 113, 2016
5J7L
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STRUCTURE OF THE 70S E COLI RIBOSOME WITH THE U1052G MUTATION IN THE 16S RRNA BOUND TO TETRACYCLINE
Descriptor:16S rRNA, 30S ribosomal protein S2, 30S ribosomal protein S3, ...
Authors:Cocozaki, A., Ferguson, A.
Deposit date:2016-04-06
Release date:2016-07-27
Last modified:2018-08-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors.
Proc.Natl.Acad.Sci.USA, 113, 2016
5J88
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STRUCTURE OF THE E COLI 70S RIBOSOME WITH THE U1060A MUTATION IN 16S RRNA
Descriptor:16S rRNA, 30S ribosomal protein S2, 30S ribosomal protein S3, ...
Authors:Cocozaki, A., Ferguson, A.
Deposit date:2016-04-07
Release date:2016-07-06
Last modified:2016-12-07
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors.
Proc.Natl.Acad.Sci.USA, 113, 2016
5J8A
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STRUCTURE OF THE E COLI 70S RIBOSOME WITH THE U1052G MUTATION IN 16S RRNA BOUND TO TIGECYCLINE
Descriptor:16S rRNA, 30S ribosomal protein S2, 30S ribosomal protein S3, ...
Authors:Cocozaki, A., Ferguson, A.
Deposit date:2016-04-07
Release date:2016-07-06
Last modified:2016-08-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors.
Proc.Natl.Acad.Sci.USA, 113, 2016
5J91
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STRUCTURE OF THE WILD-TYPE 70S E COLI RIBOSOME BOUND TO TIGECYCLINE
Descriptor:16S rRNA, 30S ribosomal protein S2, 30S ribosomal protein S3, ...
Authors:Cocozaki, A., Ferguson, A.
Deposit date:2016-04-08
Release date:2016-07-06
Last modified:2016-08-03
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors.
Proc.Natl.Acad.Sci.USA, 113, 2016
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