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1O6R
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BU of 1o6r by Molmil
Structures of human oxidosqualene cyclase inhibitors bound to an homologous enzyme
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFURAN-6-YLOXY]-HEXYL-}-METHYL-AMIN, SQUALENE--HOPENE CYCLASE
Authors:Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E.
Deposit date:2002-10-13
Release date:2003-10-17
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase
J.Med.Chem., 46, 2003
1O6Q
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BU of 1o6q by Molmil
Structures of human oxidosqualene cyclase inhibitors bound to an homologous enzyme
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN-6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE, SQUALENE--HOPENE CYCLASE
Authors:Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E.
Deposit date:2002-10-13
Release date:2003-10-17
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase
J.Med.Chem., 46, 2003
1O6H
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BU of 1o6h by Molmil
Squalene-Hopene Cyclase
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-6-YL]OXY}HEXYL)-N-METHYLPROP-2-EN-1-AMINE, SQUALENE--HOPENE CYCLASE
Authors:Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E.
Deposit date:2002-10-03
Release date:2003-10-02
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase
J.Med.Chem., 46, 2003
1O79
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BU of 1o79 by Molmil
Structures of human oxidosqualene cyclase inhibitors bound to an homologous enzyme
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, METHYL-[4-(4-PIPERIDINE-1-YLMETHYL-PHENYL)-CYCLOHEXYL]-CARBAMINIC ACID-(4-CHLOROPHENYL)-ESTER, SQUALENE--HOPENE CYCLASE
Authors:Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E.
Deposit date:2002-10-27
Release date:2003-10-23
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase
J.Med.Chem., 46, 2003
1H35
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BU of 1h35 by Molmil
Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme
Descriptor: (4'-{[ALLYL(METHYL)AMINO]METHYL}-1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, SQUALENE--HOPENE CYCLASE
Authors:Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E.
Deposit date:2002-08-24
Release date:2003-08-21
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase
J.Med.Chem., 46, 2003
1H3A
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BU of 1h3a by Molmil
Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme
Descriptor: (2E)-N-ALLYL-4-{[3-(4-BROMOPHENYL)-5-FLUORO-1-METHYL-1H-INDAZOL-6-YL]OXY}-N-METHYL-2-BUTEN-1-AMINE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, SQUALENE--HOPENE CYCLASE
Authors:Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E.
Deposit date:2002-08-24
Release date:2003-08-21
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase
J.Med.Chem., 46, 2003
1H3C
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BU of 1h3c by Molmil
Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, N-(6-{[3-(4-BROMOPHENYL)-1,2-BENZISOTHIAZOL-6-YL]OXY}HEXYL)-N-METHYLPROP-2-EN-1-AMINE, SQUALENE--HOPENE CYCLASE
Authors:Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E.
Deposit date:2002-08-25
Release date:2003-08-21
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase
J.Med.Chem., 46, 2003
1H3B
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BU of 1h3b by Molmil
Squalene-Hopene Cyclase
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, N-{6-[4-(6-BROMO-1,2-BENZISOTHIAZOL-3-YL)PHENOXY]HEXYL}-N-METHYL-2-PROPEN-1-AMINE, SQUALENE--HOPENE CYCLASE
Authors:Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E.
Deposit date:2002-08-25
Release date:2003-08-21
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase
J.Med.Chem., 46, 2003
1H39
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BU of 1h39 by Molmil
Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, ALLYL-{6-[3-(4-BROMO-PHENYL)-1-METHYL-1H-INDAZOL-6-YL]OXY}HEXYL)-N-METHYLAMINE, SQUALENE--HOPENE CYCLASE
Authors:Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E.
Deposit date:2002-08-24
Release date:2003-08-21
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase
J.Med.Chem., 46, 2003
1H37
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BU of 1h37 by Molmil
Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, SQUALENE--HOPENE CYCLASE, {4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4-BROMOPHENYL)METHANONE
Authors:Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E.
Deposit date:2002-08-24
Release date:2003-08-21
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase
J.Med.Chem., 46, 2003
1H36
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BU of 1h36 by Molmil
Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme
Descriptor: (4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-2-ENYL}OXY)PHENYL]METHANONE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, SQUALENE--HOPENE CYCLASE
Authors:Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E.
Deposit date:2002-08-24
Release date:2003-08-21
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase
J.Med.Chem., 46, 2003
1Y8J
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BU of 1y8j by Molmil
Crystal Structure of human NEP complexed with an imidazo[4,5-c]pyridine inhibitor
Descriptor: 2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Sahli, S, Frank, B, Schweizer, W.B, Diederich, F, Blum-Kaelin, D, Aebi, J.D, Bohm, H.J, Oefner, C, Dale, G.E.
Deposit date:2004-12-13
Release date:2005-06-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Second-Generation Inhibitors for the Metalloprotease Neprilysin Based on Bicyclic Heteroaromatic Scaffolds: Synthesis, Biological Activity, and X-ray Crystal Structure Analysis
HELV.CHIM.ACTA, 88, 2005
4ZGX
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BU of 4zgx by Molmil
Structure of aldosterone synthase (CYP11B2) in complex with (+)-(R)-N-(4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl)propionamide
Descriptor: Cytochrome P450 11B2, mitochondrial, N-[(8R)-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide, ...
Authors:Kuglstatter, A, Joseph, C.
Deposit date:2015-04-24
Release date:2015-10-07
Last modified:2015-11-04
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Discovery of 4-Aryl-5,6,7,8-tetrahydroisoquinolines as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors: In Vivo Evaluation in Rodents and Cynomolgus Monkeys.
J.Med.Chem., 58, 2015
6XZ8
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BU of 6xz8 by Molmil
Structure of aldosterone synthase (CYP11B2) in complex with N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxo-isoindolin-2-yl)-3-pyridyl]ethyl]methanesulfonamide
Descriptor: Cytochrome P450 11B2, mitochondrial, HEME C, ...
Authors:Kuglstatter, A, Joseph, C, Benz, J.
Deposit date:2020-02-03
Release date:2020-06-24
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors.
J.Med.Chem., 63, 2020
6XZ9
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BU of 6xz9 by Molmil
Structure of aldosterone synthase (CYP11B2) in complex with 5-chloro-3,3-dimethyl-2-[5-[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]oxy-3-pyridyl]isoindolin-1-one
Descriptor: 5-chloranyl-3,3-dimethyl-2-[5-[1-(1-methylpyrazol-4-yl)carbonylazetidin-3-yl]oxypyridin-3-yl]isoindol-1-one, Cytochrome P450 11B2, mitochondrial, ...
Authors:Kuglstatter, A, Joseph, C, Benz, J.
Deposit date:2020-02-03
Release date:2020-06-24
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors.
J.Med.Chem., 63, 2020
1GSZ
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BU of 1gsz by Molmil
Crystal Structure of a Squalene Cyclase in Complex with the Potential Anticholesteremic Drug Ro48-8071
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, SQUALENE--HOPENE CYCLASE, [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE
Authors:Lenhart, A, Weihofen, W.A, Pleschke, A.E.W, Schulz, G.E.
Deposit date:2002-01-09
Release date:2003-01-16
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of a Squalene Cyclase in Complex with the Potential Anticholesteremic Drug Ro48-8071
Chem.Biol., 9, 2002

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