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2V0Z
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CRYSTAL STRUCTURE OF RENIN WITH INHIBITOR 10 (ALISKIREN)
Descriptor:RENIN, N-ACETYL-D-GLUCOSAMINE, ALISKIREN
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 (2.2 Å)
Cite:Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
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
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
4ZYF
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DISCOVERY OF NVP-CGM097 - A HIGHLY POTENT AND SELECTIVE MDM2 INHIBITOR UNDERGOING PHASE 1 CLINICAL TRIALS IN P53WT TUMORS: HDM2 (MDM2) COMPLEXED WITH NVP-CGM097
Descriptor:E3 ubiquitin-protein ligase Mdm2, (S)-1-(4-chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-(methyl(((1r,4S)-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl)methyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4H)-one, CHLORIDE ION
Authors:Kallen, J.
Deposit date:2015-05-21
Release date:2015-07-29
Last modified:2015-09-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of a Dihydroisoquinolinone Derivative (NVP-CGM097): A Highly Potent and Selective MDM2 Inhibitor Undergoing Phase 1 Clinical Trials in p53wt Tumors.
J.Med.Chem., 58, 2015
4ZYI
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DISCOVERY OF NVP-CGM097 - A HIGHLY POTENT AND SELECTIVE MDM2 INHIBITOR UNDERGOING PHASE 1 CLINICAL TRIALS IN P53WT TUMORS: HDM2 (MDM2) COMPLEXED WITH CPD2
Descriptor:E3 ubiquitin-protein ligase Mdm2, (S)-7-((R)-sec-butoxy)-1-(4-chlorophenyl)-6-methoxy-2-(4-(methyl(pyridin-4-ylmethyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4H)-one, CHLORIDE ION
Authors:Kallen, J.
Deposit date:2015-05-21
Release date:2015-07-29
Last modified:2015-09-09
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Discovery of a Dihydroisoquinolinone Derivative (NVP-CGM097): A Highly Potent and Selective MDM2 Inhibitor Undergoing Phase 1 Clinical Trials in p53wt Tumors.
J.Med.Chem., 58, 2015
6GGN
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IN VITRO AND IN VIVO CHARACTERIZATION OF A NOVEL, HIGHLY POTENT P53-MDM2 INHIBITOR
Descriptor:E3 ubiquitin-protein ligase Mdm2, (4~{S})-4-(4-chloranyl-2-methyl-phenyl)-5-(5-chloranyl-2-methyl-phenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-d]imidazol-6-one, CHLORIDE ION
Authors:Kallen, J.
Deposit date:2018-05-03
Release date:2018-09-26
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:In vitro and in vivo characterization of a novel, highly potent p53-MDM2 inhibitor.
Bioorg. Med. Chem. Lett., 28, 2018
5LN2
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DISCOVERY OF A NOVEL CLASS OF HIGHLY POTENT INHIBITORS OF THE P53-MDM2 INTERACTION BY STRUCTURE-BASED DESIGN STARTING FROM A CONFORMATIONAL ARGUMENT
Descriptor:E3 ubiquitin-protein ligase Mdm2, (4~{S})-5-[5-chloranyl-2-[2-(dimethylamino)ethoxy]phenyl]-4-(4-chloranyl-2-methyl-phenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one, SULFATE ION, ...
Authors:Kallen, J.
Deposit date:2016-08-02
Release date:2016-09-07
Last modified:2016-09-21
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery of a novel class of highly potent inhibitors of the p53-MDM2 interaction by structure-based design starting from a conformational argument.
Bioorg.Med.Chem.Lett., 26, 2016
6Q96
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HDM2 (17-111, WILD TYPE) COMPLEXED WITH COMPOUND 12 AT 1.8A; STRUCTURAL STATES OF HDM2 AND HDMX: X-RAY ELUCIDATION OF ADAPTATIONS AND BINDING INTERACTIONS FOR DIFFERENT CHEMICAL COMPOUND CLASSES
Descriptor:E3 ubiquitin-protein ligase Mdm2, 4-[(4~{S})-5-(5-chloranyl-2-oxidanylidene-1~{H}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile, SULFATE ION
Authors:Kallen, J.
Deposit date:2018-12-17
Release date:2019-05-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes.
Chemmedchem, 2019
6Q9H
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HDM2 (17-111, WILD TYPE) COMPLEXED WITH COMPOUND 11 AT 2.0A; STRUCTURAL STATES OF HDM2 AND HDMX: X-RAY ELUCIDATION OF ADAPTATIONS AND BINDING INTERACTIONS FOR DIFFERENT CHEMICAL COMPOUND CLASSES
Descriptor:E3 ubiquitin-protein ligase Mdm2, (4~{S})-5-(3-chloranyl-2-fluoranyl-phenyl)-4-(4-chloranyl-2-methyl-phenyl)-3-propan-2-yl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one
Authors:Kallen, J.
Deposit date:2018-12-18
Release date:2019-05-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes.
Chemmedchem, 2019
6Q9L
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HDM2 (17-111, WILDTYPE) COMPLEXED WITH COMPOUND 9 AT 1.13A; STRUCTURAL STATES OF HDM2 AND HDMX: X-RAY ELUCIDATION OF ADAPTATIONS AND BINDING INTERACTIONS FOR DIFFERENT CHEMICAL COMPOUND CLASSES
Descriptor:E3 ubiquitin-protein ligase Mdm2, [6-chloranyl-3-[3-[[4-chloranyl-2-(hydroxymethyl)phenyl]methyl]-5-phenyl-imidazol-4-yl]-1~{H}-indol-2-yl]-[(3~{S})-3-[3-(dimethylamino)propyl-methyl-amino]pyrrolidin-1-yl]methanone, CHLORIDE ION
Authors:Kallen, J.
Deposit date:2018-12-18
Release date:2019-05-15
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes.
Chemmedchem, 2019
6Q9O
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HDM2 (17-111, WILDTYPE) COMPLEXED WITH COMPOUND 10 AT 1.21A; STRUCTURAL STATES OF HDM2 AND HDMX: X-RAY ELUCIDATION OF ADAPTATIONS AND BINDING INTERACTIONS FOR DIFFERENT CHEMICAL COMPOUND CLASSES
Descriptor:E3 ubiquitin-protein ligase Mdm2, ~{N}-~{tert}-butyl-2-[4-chloranyl-2-[5-(3-chloranyl-4-fluoranyl-phenyl)-2-cyclohexyl-4-(1~{H}-1,2,3,4-tetrazol-5-yl)imidazol-1-yl]phenyl]ethanamide
Authors:Kallen, J.
Deposit date:2018-12-18
Release date:2019-05-15
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes.
Chemmedchem, 2019
6Q9Q
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HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 13 AT 2.1A; STRUCTURAL STATES OF HDM2 AND HDMX: X-RAY ELUCIDATION OF ADAPTATIONS AND BINDING INTERACTIONS FOR DIFFERENT CHEMICAL COMPOUND CLASSES
Descriptor:Protein Mdm4, 6-chloranyl-3-[3-[(1~{S})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{N}-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-1~{H}-indole-2-carboxamide, 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, ...
Authors:Kallen, J.
Deposit date:2018-12-18
Release date:2019-05-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes.
Chemmedchem, 2019
6Q9S
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HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 14 AT 2.4A: STRUCTURAL STATES OF HDM2 AND HDMX: X-RAY ELUCIDATION OF ADAPTATIONS AND BINDING INTERACTIONS FOR DIFFERENT CHEMICAL COMPOUND CLASSES
Descriptor:Protein Mdm4, 3-[[6-chloranyl-3-[3-[(1~{S})-1-(2,4-dichlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-1~{H}-indol-2-yl]carbonylamino]-4-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]benzoic acid, 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, ...
Authors:Kallen, J.
Deposit date:2018-12-18
Release date:2019-05-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes.
Chemmedchem, 2019
6Q9U
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HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 12 AT 2.4A; STRUCTURAL STATES OF HDM2 AND HDMX: X-RAY ELUCIDATION OF ADAPTATIONS AND BINDING INTERACTIONS FOR DIFFERENT CHEMICAL COMPOUND CLASSES
Descriptor:Protein Mdm4, 4-[(4~{S})-5-(5-chloranyl-2-oxidanylidene-1~{H}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile, 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, ...
Authors:Kallen, J.
Deposit date:2018-12-18
Release date:2019-05-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes.
Chemmedchem, 2019
6Q9W
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X-RAY STRUCTURE OF COMPOUND 15 BOUND TO HDMX: STRUCTURAL STATES OF HDM2 AND HDMX: X-RAY ELUCIDATION OF ADAPTATIONS AND BINDING INTERACTIONS FOR DIFFERENT CHEMICAL COMPOUND CLASSES
Descriptor:Protein Mdm4, (4~{S})-4-(4-chlorophenyl)-5-[(1~{S})-1-(3-chlorophenyl)ethyl]-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-d]imidazol-6-one, SULFATE ION, ...
Authors:Kallen, J.
Deposit date:2018-12-18
Release date:2019-05-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes.
Chemmedchem, 2019
6Q9Y
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HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 16 AT 1.20A; STRUCTURAL STATES OF HDM2 AND HDMX: X-RAY ELUCIDATION OF ADAPTATIONS AND BINDING INTERACTIONS FOR DIFFERENT CHEMICAL COMPOUND CLASSES
Descriptor:Protein Mdm4, 7-methoxy-~{N}-[(3~{S})-1-(4-methylphenyl)pyrrolidin-3-yl]-1~{H}-indole-3-carboxamide
Authors:Kallen, J.
Deposit date:2018-12-18
Release date:2019-05-15
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes.
Chemmedchem, 2019