Author results

3D91
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HUMAN RENIN IN COMPLEX WITH REMIKIREN
Descriptor:Renin, Nalpha-[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-L-histidinamide, DIMETHYL SULFOXIDE
Authors:Prade, L., Bezencon, O., Bur, D., Weller, T., Fischli, W., Remen, L.
Deposit date:2008-05-26
Release date:2008-06-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Human renin in complex with remikiren
to be published
1AQV
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GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH P-BROMOBENZYLGLUTATHIONE
Descriptor:GLUTATHIONE S-TRANSFERASE, N-[(4S)-4-ammonio-4-carboxybutanoyl]-S-(4-bromobenzyl)-L-cysteinylglycine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Prade, L., Huber, R., Manoharan, T.H., Fahl, W.E., Reuter, W.
Deposit date:1997-08-01
Release date:1997-12-24
Last modified:2011-07-27
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor.
Structure, 5, 1997
1AQW
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GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH GLUTATHIONE
Descriptor:GLUTATHIONE S-TRANSFERASE, GLUTATHIONE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Prade, L., Huber, R., Manoharan, T.H., Fahl, W.E., Reuter, W.
Deposit date:1997-08-03
Release date:1998-03-18
Last modified:2011-12-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor.
Structure, 5, 1997
1AQX
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GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH MEISENHEIMER COMPLEX
Descriptor:GLUTATHIONE S-TRANSFERASE, 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Prade, L., Huber, R., Manoharan, T.H., Fahl, W.E., Reuter, W.
Deposit date:1997-08-03
Release date:1998-03-18
Last modified:2011-07-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor.
Structure, 5, 1997
1BX9
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GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH HERBICIDE
Descriptor:GLUTATHIONE S-TRANSFERASE, FOE-4053-glutathione conjugate GGL-FOE-GLY
Authors:Prade, L., Huber, R., Bieseler, B.
Deposit date:1998-10-14
Release date:1998-10-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of herbicides in complex with their detoxifying enzyme glutathione S-transferase - explanations for the selectivity of the enzyme in plants.
Structure, 6, 1998
1BYE
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GLUTATHIONE S-TRANSFERASE I FROM MAIS IN COMPLEX WITH ATRAZINE GLUTATHIONE CONJUGATE
Descriptor:PROTEIN (GLUTATHIONE S-TRANSFERASE), ATRAZINE GLUTATHIONE CONJUGATE
Authors:Prade, L., Huber, R., Bieseler, B.
Deposit date:1998-10-14
Release date:1998-10-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of herbicides in complex with their detoxifying enzyme glutathione S-transferase - explanations for the selectivity of the enzyme in plants.
Structure, 6, 1998
1DJ2
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STRUCTURES OF ADENYLOSUCCINATE SYNTHETASE FROM TRITICUM AESTIVUM AND ARABIDOPSIS THALIANA
Descriptor:ADENYLOSUCCINATE SYNTHETASE, GUANOSINE-5'-DIPHOSPHATE
Authors:Prade, L., Cowan-Jacob, S.W., Chemla, P., Potter, S., Ward, E., Fonne-Pfister, R.
Deposit date:1999-12-01
Release date:2000-03-24
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of adenylosuccinate synthetase from Triticum aestivum and Arabidopsis thaliana.
J.Mol.Biol., 296, 2000
1DJ3
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STRUCTURES OF ADENYLOSUCCINATE SYNTHETASE FROM TRITICUM AESTIVUM AND ARABIDOPSIS THALIANA
Descriptor:ADENYLOSUCCINATE SYNTHETASE, GUANOSINE-5'-DIPHOSPHATE
Authors:Prade, L., Cowan-Jacob, S.W., Chemla, P., Potter, S., Ward, E., Fonne-Pfister, R.
Deposit date:1999-12-01
Release date:2000-03-24
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of adenylosuccinate synthetase from Triticum aestivum and Arabidopsis thaliana.
J.Mol.Biol., 296, 2000
1STC
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CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT IN COMPLEX WITH STAUROSPORINE
Descriptor:CAMP-DEPENDENT PROTEIN KINASE, PROTEIN KINASE INHIBITOR, STAUROSPORINE
Authors:Prade, L., Engh, R.A., Girod, A., Kinzel, V., Huber, R., Bossemeyer, D.
Deposit date:1997-10-10
Release date:1998-02-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Staurosporine-induced conformational changes of cAMP-dependent protein kinase catalytic subunit explain inhibitory potential.
Structure, 5, 1997
1XDH
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STRUCTURE OF PLASMEPSIN II IN COMPLEX WITH PEPSTATIN A
Descriptor:Plasmepsin 2, Pepstatin
Authors:Prade, L.
Deposit date:2004-09-06
Release date:2005-08-23
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of plasmepsin II in complex with pepstatin A
To be published
1XE5
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STRUCTURE OF PLASMEPSIN II IN COMPLEX OF AN PEPSTATIN ANALOGUE
Descriptor:Plasmepsin 2, 5,5,5-TRIFLUORO-3-HYDROXY-4-[2-(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-METHYL-2-[3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-PENTANOYLAMINO)-PROPIONYLAMINO]-PENTANOIC ACID METHYL ESTER
Authors:Prade, L.
Deposit date:2004-09-09
Release date:2005-08-23
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of plasmepsin II in complex of an pepstatin analogue
To be published
1XE6
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STRUCTURE OF PLASMEPSIN II IN COMPLEX OF AN PEPSTATIN ANALOGUE
Descriptor:Plasmepsin 2, 5,5,5-TRIFLUORO-3-HYDROXY-4-[2-(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-METHYL-2-[3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-PENTANOYLAMINO)-PROPIONYLAMINO]-PENTANOIC ACID
Authors:Prade, L.
Deposit date:2004-09-09
Release date:2005-08-23
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of plasmepsin II in complex of an pepstatin analogue
To be published
2BJU
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PLASMEPSIN II COMPLEXED WITH A HIGHLY ACTIVE ACHIRAL INHIBITOR
Descriptor:PLASMEPSIN II, N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL)
Authors:Prade, L., Jones, A.F., Boss, C., Richards-Bildstein, S., Meyer, S., Binkert, C., Bur, D.
Deposit date:2005-02-08
Release date:2005-04-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:X-Ray Structure of Plasmepsin II Complexed with a Potent Achiral Inhibitor.
J.Biol.Chem., 280, 2005
3K1W
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NEW CLASSES OF POTENT AND BIOAVAILABLE HUMAN RENIN INHIBITORS
Descriptor:Renin, 4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide, FORMIC ACID, ...
Authors:Prade, L.
Deposit date:2009-09-29
Release date:2010-03-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:New classes of potent and bioavailable human renin inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
3OAD
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DESIGN AND OPTIMIZATION OF NEW PIPERIDINES AS RENIN INHIBITORS
Descriptor:Renin, N-ACETYL-D-GLUCOSAMINE, (3S,4R)-N-[2-chloro-5-(2-methoxyethyl)benzyl]-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}-4-hydroxypiperidine-3-carboxamide
Authors:Prade, L.
Deposit date:2010-08-05
Release date:2010-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Design and optimization of new piperidines as renin inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3OAG
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DESIGN AND OPTIMIZATION OF NEW PIPERIDINES AS RENIN INHIBITORS
Descriptor:Renin, N-ACETYL-D-GLUCOSAMINE, (3R,4S)-N-{2-chloro-5-[(cyclopropylamino)methyl]benzyl}-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}piperidine-3-carboxamide
Authors:Prade, L.
Deposit date:2010-08-05
Release date:2010-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and optimization of new piperidines as renin inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
2IGX
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ACHIRAL, CHEAP AND POTENT INHIBITORS OF PLASMEPSINS II
Descriptor:Plasmepsin-2, 5-PENTYL-N-{[4'-(PIPERIDIN-1-YLCARBONYL)BIPHENYL-4-YL]METHYL}-N-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN-4-YL]PYRIDINE-2-CARBOXAMIDE
Authors:Prade, L.
Deposit date:2006-09-25
Release date:2006-11-28
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Achiral, Cheap, and Potent Inhibitors of Plasmepsins I, II, and IV.
Chemmedchem, 1, 2006
2IGY
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ACHIRAL, CHEAP AND POTENT INHIBITORS OF PLASMEPSINS II
Descriptor:Plasmepsin-2, N-[1-(3-METHYLBUTYL)PIPERIDIN-4-YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-4-PENTYLBENZAMIDE
Authors:Prade, L.
Deposit date:2006-09-25
Release date:2006-11-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Achiral, Cheap, and Potent Inhibitors of Plasmepsins I, II, and IV.
Chemmedchem, 1, 2006
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
3O9L
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DESIGN AND OPTIMISATION OF NEW PIPERIDINES AS RENIN INHIBITORS
Descriptor:Renin, N-ACETYL-D-GLUCOSAMINE, (3R,4S)-N-[2-chloro-5-(3-methoxypropyl)benzyl]-N-cyclopropyl-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidine-3-carboxamide
Authors:Corminboeuf, O., Bezencon, O., Grisostomi, C., Remen, L., Richard-Bildstein, S., Bur, D., Prade, L., Hess, P., Strickner, P., Treiber, A.
Deposit date:2010-08-04
Release date:2011-03-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design and optimization of new piperidines as renin inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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
3G6Z
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DESIGN AND PREPARATION OF POTENT, NON-PEPTIDIC, BIOAVAILABLE RENIN INHIBITORS
Descriptor:Renin, (1R,5S)-N-cyclopropyl-7-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}-N-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Bezencon, O., Bur, D., Prade, L., Weller, T., Boss, C., Fischli, W.
Deposit date:2009-02-09
Release date:2009-06-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and Preparation of Potent, Nonpeptidic, Bioavailable Renin Inhibitors
J.Med.Chem., 52, 2009
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