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6G3R
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STRUCTURE OF TELLURIUM-CENTRED ANDERSON-EVANS POLYOXOTUNGSTATE (TEW) BOUND TO THE NUCLEOTIDE BINDING DOMAIN OF HSP70. STRUCTURE ONE OF TWO TEW-HSP70 STRUCTURES DEPOSITED.
Descriptor:Heat shock 70 kDa protein 1A, ADENOSINE-5'-DIPHOSPHATE, 6-tungstotellurate(VI), ...
Authors:Mac Sweeney, A., Chambovey, A., Wicki, M., Mueller, M., Artico, N., Lange, R., Bijelic, A., Breibeck, J., Rompel, A.
Deposit date:2018-03-26
Release date:2018-10-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The crystallization additive hexatungstotellurate promotes the crystallization of the HSP70 nucleotide binding domain into two different crystal forms.
PLoS ONE, 13, 2018
6G3S
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STRUCTURE OF TELLURIUM-CENTRED ANDERSON-EVANS POLYOXOTUNGSTATE (TEW) BOUND TO THE NUCLEOTIDE BINDING DOMAIN OF HSP70. SECOND STRUCTURE OF TWO TEW-HSP70 STRUCTURES DEPOSITED.
Descriptor:Heat shock 70 kDa protein 1A, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Mac Sweeney, A., Chambovey, A., Wicki, M., Mueller, M., Artico, N., Lange, R., Bijelic, A., Breibeck, J., Rompel, A.
Deposit date:2018-03-26
Release date:2018-10-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystallization additive hexatungstotellurate promotes the crystallization of the HSP70 nucleotide binding domain into two different crystal forms.
PLoS ONE, 13, 2018
4GLW
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DNA LIGASE A IN COMPLEX WITH INHIBITOR
Descriptor:DNA ligase, SULFATE ION, 7-methoxy-6-methylpteridine-2,4-diamine, ...
Authors:Prade, L., Lange, R., Tidten-Luksch, N., Chambovey, A.
Deposit date:2012-08-15
Release date:2012-10-10
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided design, synthesis and biological evaluation of novel DNA ligase inhibitors with in vitro and in vivo anti-staphylococcal activity.
Bioorg.Med.Chem.Lett., 22, 2012
4GLX
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DNA LIGASE A IN COMPLEX WITH INHIBITOR
Descriptor:DNA (26-MER), DNA (5'-D(*AP*CP*AP*AP*TP*TP*GP*CP*GP*AP*CP*CP*C)-3'), DNA (5'-D(P*CP*AP*CP*TP*AP*TP*CP*GP*GP*AP*AP*TP*G)-3'), ...
Authors:Prade, L., Lange, R., Tidten-Luksch, N., Chambovey, A.
Deposit date:2012-08-15
Release date:2012-10-10
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided design, synthesis and biological evaluation of novel DNA ligase inhibitors with in vitro and in vivo anti-staphylococcal activity.
Bioorg.Med.Chem.Lett., 22, 2012
5MMN
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E. COLI DNA GYRASE B 24 KDA ATPASE DOMAIN IN COMPLEX WITH 1-ETHYL-3-[8-METHYL-5-(2-METHYL-PYRIDIN-4-YL)-ISOQUINOLIN-3-YL]-UREA
Descriptor:DNA gyrase subunit B, 1-ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea
Authors:Panchaud, P., Bruyere, T., Blumstein, A.-C., Bur, D., Chambovey, A., Ertel, E.A., Gude, M., Hubschwerlen, C., Jacob, L., Kimmerlin, T., Pfeifer, T., Prade, L., Seiler, P., Ritz, D., Rueedi, G.
Deposit date:2016-12-12
Release date:2017-04-26
Last modified:2017-05-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents.
J. Med. Chem., 60, 2017
5MMO
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E. COLI DNA GYRASE B 24 KDA ATPASE DOMAIN IN COMPLEX WITH [3-(3-ETHYL-UREIDO)-5-(PYRIDIN-4-YL)-ISOQUINOLIN-8-YL-METHYL]-CARBAMIC ACID PROP-2-YNYL ESTER
Descriptor:DNA gyrase subunit B, prop-2-ynyl ~{N}-[[3-(ethylcarbamoylamino)-5-pyridin-4-yl-isoquinolin-8-yl]methyl]carbamate, PHOSPHATE ION
Authors:Panchaud, P., Bruyere, T., Blumstein, A.-C., Bur, D., Chambovey, A., Ertel, E.A., Gude, M., Hubschwerlen, C., Jacob, L., Kimmerlin, T., Pfeifer, T., Prade, L., Seiler, P., Ritz, D., Rueedi, G.
Deposit date:2016-12-12
Release date:2017-04-26
Last modified:2017-05-24
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents.
J. Med. Chem., 60, 2017
5MMP
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E. COLI DNA GYRASE B 24 KDA ATPASE DOMAIN IN COMPLEX WITH 1-ETHYL-3-[5-PYRIDIN-4-YL-8-(PYRIDIN-3-YLAMINO)-ISOQUINOLIN-3-YL]-UREA
Descriptor:DNA gyrase subunit B, 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)isoquinolin-3-yl]urea
Authors:Panchaud, P., Bruyere, T., Blumstein, A.-C., Bur, D., Chambovey, A., Ertel, E.A., Gude, M., Hubschwerlen, C., Jacob, L., Kimmerlin, T., Pfeifer, T., Prade, L., Seiler, P., Ritz, D., Rueedi, G.
Deposit date:2016-12-12
Release date:2017-04-26
Last modified:2017-05-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents.
J. Med. Chem., 60, 2017