Author results

4GJ5
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CRYSTAL STRUCTURE OF RENIN IN COMPLEX WITH NVP-AMQ838 (COMPOUND 5)
Descriptor:Renin, N-ACETYL-D-GLUCOSAMINE, (3R,4R)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine
Authors:Ostermann, N., Zink, F., Kroemer, M.
Deposit date:2012-08-09
Release date:2013-03-06
Last modified:2013-04-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Discovery of Novel Potent trans-3,4-Disubstituted Pyrrolidine Inhibitors of the Human Aspartic Protease Renin from in Silico Three-Dimensional (3D) Pharmacophore Searches.
J.Med.Chem., 56, 2013
4GJC
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CRYSTAL STRUCTURE OF RENIN IN COMPLEX WITH NVP-BCH965 (COMPOUND 9)
Descriptor:Renin, N-ACETYL-D-GLUCOSAMINE, (3S,5R)-5-{[(4-methylphenyl)sulfonyl]amino}-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide, ...
Authors:Ostermann, N., Zink, F., Kroemer, M.
Deposit date:2012-08-09
Release date:2013-02-13
Last modified:2013-04-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.
J.Med.Chem., 56, 2013
4RYC
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RENIN IN COMPLEXED WITH 4-METHOXY-3-(3-METHOXYPROPOXY)-N-{[(3S,4S)-4-{[(4-METHYLPHENYL)SULFONYL]AMINO}PYRROLIDIN-3-YL]METHYL}-N-(PROPAN-2-YL)BENZAMIDE INHIBITOR
Descriptor:Renin, N-ACETYL-D-GLUCOSAMINE, 4-methoxy-3-(3-methoxypropoxy)-N-{[(3S,4S)-4-{[(4-methylphenyl)sulfonyl]amino}pyrrolidin-3-yl]methyl}-N-(propan-2-yl)benzamide, ...
Authors:Ostermann, N.
Deposit date:2014-12-15
Release date:2015-03-25
Last modified:2015-04-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:trans-(3S,4S)-Disubstituted pyrrolidines as inhibitors of the human aspartyl protease renin. Part I: Prime site exploration using an amino linker.
Bioorg.Med.Chem.Lett., 25, 2015
4GJ8
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CRYSTAL STRUCTURE OF RENIN IN COMPLEX WITH PKF909-724 (COMPOUND 3)
Descriptor:Renin, N-ACETYL-D-GLUCOSAMINE, (2S)-1-(pyrrolidin-1-yl)-3-(9H-thioxanthen-9-yl)propan-2-ol, ...
Authors:Ostermann, N., Zink, F., Kroemer, M.
Deposit date:2012-08-09
Release date:2013-02-13
Last modified:2013-04-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.
J.Med.Chem., 56, 2013
4GJ6
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CRYSTAL STRUCTURE OF RENIN IN COMPLEX WITH NVP-AYZ832 (COMPOUND 6A)
Descriptor:Renin, N-ACETYL-D-GLUCOSAMINE, N-{[(3S,4S)-4-benzylpyrrolidin-3-yl]methyl}-4-chloro-N-phenylaniline, ...
Authors:Ostermann, N., Zink, F., Kroemer, M.
Deposit date:2012-08-09
Release date:2013-03-06
Last modified:2013-04-10
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:The Discovery of Novel Potent trans-3,4-Disubstituted Pyrrolidine Inhibitors of the Human Aspartic Protease Renin from in Silico Three-Dimensional (3D) Pharmacophore Searches.
J.Med.Chem., 56, 2013
4GJ9
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CRYSTAL STRUCTURE OF RENIN IN COMPLEX WITH GP055321 (COMPOUND 4)
Descriptor:Renin, N-ACETYL-D-GLUCOSAMINE, (2R)-1-(3,8-dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1H)-yl)propan-2-ol
Authors:Ostermann, N., Zink, F., Kroemer, M.
Deposit date:2012-08-09
Release date:2013-02-13
Last modified:2013-04-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.
J.Med.Chem., 56, 2013
4GJA
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CRYSTAL STRUCTURE OF RENIN IN COMPLEX WITH NVP-AYL747 (COMPOUND 5)
Descriptor:Renin, N-ACETYL-D-GLUCOSAMINE, (3S,5R)-N-(2,2-diphenylethyl)-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide, ...
Authors:Ostermann, N., Zink, F., Kroemer, M.
Deposit date:2012-08-09
Release date:2013-02-13
Last modified:2013-04-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.
J.Med.Chem., 56, 2013
4RZ1
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RENIN IN COMPLEXED WITH (3S,4S)-4-({[4-METHOXY-3-(3-METHOXYPROPOXY)BENZOYL](PROPAN-2-YL)AMINO}METHYL)PYRROLIDIN-3-YL BENZYLCARBAMATE INHIBITOR
Descriptor:Renin, N-ACETYL-D-GLUCOSAMINE, (3S,4S)-4-({[4-methoxy-3-(3-methoxypropoxy)benzoyl](propan-2-yl)amino}methyl)pyrrolidin-3-yl benzylcarbamate, ...
Authors:Ostermann, N.
Deposit date:2014-12-18
Release date:2015-03-25
Last modified:2015-04-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:trans-3,4-Disubstituted pyrrolidines as inhibitors of the human aspartyl protease renin. Part II: Prime site exploration using an oxygen linker.
Bioorg.Med.Chem.Lett., 25, 2015
4GJD
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CRYSTAL STRUCTURE OF RENIN IN COMPLEX WITH NVP-BGQ311 (COMPOUND 12)
Descriptor:Renin, N-ACETYL-D-GLUCOSAMINE, (3S,5R)-N-{[9-(4-methoxybutyl)-9H-xanthen-9-yl]methyl}-5-{[(4-methylphenyl)sulfonyl]amino}piperidine-3-carboxamide, ...
Authors:Ostermann, N., Zink, F., Kroemer, M.
Deposit date:2012-08-09
Release date:2013-02-13
Last modified:2013-04-10
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.
J.Med.Chem., 56, 2013
4PYV
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CRYSTAL STRUCTURE OF RENIN IN COMPLEX WITH COMPOUND4
Descriptor:Renin, N-ACETYL-D-GLUCOSAMINE, tert-butyl {(3S,5R)-5-[cyclopropyl(2,3-dichlorobenzyl)carbamoyl]piperidin-3-yl}carbamate, ...
Authors:Ostermann, N., Zink, F.
Deposit date:2014-03-28
Release date:2014-10-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-based design of substituted piperidines as a new class of highly efficacious oral direct Renin inhibitors.
ACS Med Chem Lett, 5, 2014
4RYG
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RENIN IN COMPLEXED WITH N-({(3S,4S)-4-[(BENZYLSULFONYL)AMINO]PYRROLIDIN-3-YL}METHYL)-4-METHOXY-3-(3-METHOXYPROPOXY)-N-(PROPAN-2-YL)BENZAMIDE INHIBITOR
Descriptor:Renin, N-ACETYL-D-GLUCOSAMINE, N-({(3S,4S)-4-[(benzylsulfonyl)amino]pyrrolidin-3-yl}methyl)-4-methoxy-3-(3-methoxypropoxy)-N-(propan-2-yl)benzamide, ...
Authors:Ostermann, N.
Deposit date:2014-12-15
Release date:2015-03-25
Last modified:2015-04-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:trans-(3S,4S)-Disubstituted pyrrolidines as inhibitors of the human aspartyl protease renin. Part I: Prime site exploration using an amino linker.
Bioorg.Med.Chem.Lett., 25, 2015
4GJB
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CRYSTAL STRUCTURE OF RENIN IN COMPLEX WITH NVP-BBV031 (COMPOUND 6)
Descriptor:Renin, N-ACETYL-D-GLUCOSAMINE, (3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide, ...
Authors:Ostermann, N., Zink, F., Kroemer, M.
Deposit date:2012-08-09
Release date:2013-02-13
Last modified:2013-04-10
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.
J.Med.Chem., 56, 2013
2V13
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CRYSTAL STRUCTURE OF RENIN WITH INHIBITOR 7
Descriptor:RENIN, N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE
Authors:Rahuel, J., Rasetti, V., Maibaum, J., Rueger, H., Goschke, R., Cohen, N.C., Stutz, S., Cumin, F., Fuhrer, W., Wood, J.M., Grutter, M.G.
Deposit date:2007-05-21
Release date:2008-07-08
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
2V16
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CRYSTAL STRUCTURE OF RENIN WITH INHIBITOR 3
Descriptor:RENIN, METHYL (3R)-1-[(5S,6S,8R)-5-AMINO-9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL-9-OXO-NONANOYL]-3,4-DIHYDRO-2H-QUINOLINE-3-CARBOXYLATE
Authors:Rahuel, J., Rasetti, V., Maibaum, J., Rueger, H., Goschke, R., Cohen, N.C., Stutz, S., Cumin, F., Fuhrer, W., Wood, J.M., Grutter, M.G.
Deposit date:2007-05-22
Release date:2008-07-08
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
4GJ7
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CRYSTAL STRUCTURE OF RENIN IN COMPLEX WITH NVP-BCA079 (COMPOUND 12A)
Descriptor:Renin, N-ACETYL-D-GLUCOSAMINE, N-{[(3S,4S)-4-benzylpyrrolidin-3-yl]methyl}-4-methoxy-3-(3-methoxypropoxy)-N-(propan-2-yl)benzamide, ...
Authors:Ostermann, N., Zink, F., Kroemer, M.
Deposit date:2012-08-09
Release date:2013-03-06
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Discovery of Novel Potent trans-3,4-Disubstituted Pyrrolidine Inhibitors of the Human Aspartic Protease Renin from in Silico Three-Dimensional (3D) Pharmacophore Searches.
J.Med.Chem., 56, 2013
2EWY
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CRYSTAL STRUCTURE OF HUMAN BACE2 IN COMPLEX WITH A HYDROXYETHYLENAMINE TRANSITION-STATE INHIBITOR
Descriptor:Beta-secretase 2, N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE-10-CARBOXAMIDE
Authors:Ostermann, N.
Deposit date:2005-11-07
Release date:2006-11-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of human BACE2 in complex with a hydroxyethylamine transition state inhibitor
J.Mol.Biol., 355, 2006
2V10
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CRYSTAL STRUCTURE OF RENIN WITH INHIBITOR 9
Descriptor:RENIN, (2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-2,8-DIMETHYLNONANAMIDE
Authors:Rahuel, J., Rasetti, V., Maibaum, J., Rueger, H., Goschke, R., Cohen, N.C., Stutz, S., Cumin, F., Fuhrer, W., Wood, J.M., Grutter, M.G.
Deposit date:2007-05-21
Release date:2007-07-03
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
2V11
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CRYSTAL STRUCTURE OF RENIN WITH INHIBITOR 6
Descriptor:RENIN, (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE
Authors:Rahuel, J., Rasetti, V., Maibaum, J., Rueger, H., Goschke, R., Cohen, N.C., Stutz, S., Cumin, F., Fuhrer, W., Wood, J.M., Grutter, M.G.
Deposit date:2007-05-21
Release date:2007-07-03
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
2V12
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CRYSTAL STRUCTURE OF RENIN WITH INHIBITOR 8
Descriptor:RENIN, N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE
Authors:Rahuel, J., Rasetti, V., Maibaum, J., Rueger, H., Goschke, R., Cohen, N.C., Stutz, S., Cumin, F., Fuhrer, W., Wood, J.M., Grutter, M.G.
Deposit date:2007-05-21
Release date:2007-07-03
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
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