3IXJ
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![BU of 3ixj by Molmil](/molmil-images/mine/3ixj) | Crystal structure of beta-secretase 1 in complex with selective beta-secretase 1 inhibitor | 分子名称: | Beta-secretase 1, N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PROPYLCARBAMOYL)-1-(3,5-DIFLUORO-PHENOXYMETHYL)-2-HYDROXY-4-METHOXY-BUTYL]-5-(METHANESULFONYL-METHYL-AMINO)-N'-(1-PHENYLETHYL)-ISOPHTHALAMIDE, SULFATE ION | 著者 | Borkakoti, N, Lindberg, J, Nystrom, S. | 登録日 | 2009-09-04 | 公開日 | 2010-03-02 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Design and Synthesis of Potent and Selective BACE-1 Inhibitors. J.Med.Chem., 53, 2010
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1HWQ
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6YII
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1EC0
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![BU of 1ec0 by Molmil](/molmil-images/mine/1ec0) | HIV-1 protease in complex with the inhibitor bea403 | 分子名称: | HIV-1 PROTEASE, N,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | 著者 | Unge, T. | 登録日 | 2000-01-25 | 公開日 | 2002-06-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Symmetric fluoro-substituted diol-based HIV protease inhibitors. Ortho-fluorinated and meta-fluorinated P1/P1'-benzyloxy side groups significantly improve the antiviral activity and preserve binding efficacy Eur.J.Biochem., 271, 2004
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2KJV
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2KJW
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6GEV
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![BU of 6gev by Molmil](/molmil-images/mine/6gev) | Mineralocorticoid receptor in complex with (s)-13 | 分子名称: | 6-[[(3~{S})-7-fluoranyl-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-4~{H}-1,4-benzoxazin-3-one, GLYCEROL, Mineralocorticoid receptor, ... | 著者 | Edman, K, Aagaard, A, Tangefjord, S. | 登録日 | 2018-04-27 | 公開日 | 2019-01-09 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection. J.Med.Chem., 62, 2019
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6GG8
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![BU of 6gg8 by Molmil](/molmil-images/mine/6gg8) | Mineralocorticoid receptor in complex with (s)-13 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Mineralocorticoid receptor, Nuclear receptor coactivator 1, ... | 著者 | Edman, K, Aagaard, A, Tangefjord, S. | 登録日 | 2018-05-03 | 公開日 | 2019-01-09 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection. J.Med.Chem., 62, 2019
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6GGG
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![BU of 6ggg by Molmil](/molmil-images/mine/6ggg) | Mineralocorticoid receptor in complex with (s)-13 | 分子名称: | 2-[(3~{S})-7-fluoranyl-6-(2-methylpropyl)-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide, CHLORIDE ION, Mineralocorticoid receptor, ... | 著者 | Edman, K, Aagaard, A, Tangefjord, S. | 登録日 | 2018-05-03 | 公開日 | 2019-01-09 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection. J.Med.Chem., 62, 2019
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4B77
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![BU of 4b77 by Molmil](/molmil-images/mine/4b77) | Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain | 分子名称: | (5R)-5-(4-methoxyphenyl)-5-(3-pyrimidin-5-ylphenyl)-3,4-dihydropyrrol-2-amine, BETA-SECRETASE 1, DIMETHYL SULFOXIDE | 著者 | Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. | 登録日 | 2012-08-16 | 公開日 | 2013-06-26 | 最終更新日 | 2013-07-03 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
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4B70
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![BU of 4b70 by Molmil](/molmil-images/mine/4b70) | Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain | 分子名称: | (2S)-2-[3-(3-chlorophenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine, BETA-SECRETASE 1 | 著者 | Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. | 登録日 | 2012-08-16 | 公開日 | 2013-06-26 | 最終更新日 | 2013-07-03 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
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4B72
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![BU of 4b72 by Molmil](/molmil-images/mine/4b72) | Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain | 分子名称: | (6R)-6-(4-methoxyphenyl)-2-methyl-6-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-d][1,3]thiazol-4-amine, BETA-SECRETASE 1 | 著者 | Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. | 登録日 | 2012-08-16 | 公開日 | 2013-06-26 | 最終更新日 | 2013-07-03 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
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4B78
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![BU of 4b78 by Molmil](/molmil-images/mine/4b78) | Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain | 分子名称: | (3R,5R)-3-methoxy-5-(4-methoxyphenyl)-5-(3-pyridin-3-ylphenyl)-3,4-dihydropyrrol-2-amine, BETA-SECRETASE 1 | 著者 | Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. | 登録日 | 2012-08-16 | 公開日 | 2013-06-26 | 最終更新日 | 2013-07-03 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
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3KYR
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![BU of 3kyr by Molmil](/molmil-images/mine/3kyr) | Bace-1 in complex with a norstatine type inhibitor | 分子名称: | 3-[[(2S)-2-[[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-1,2,3,4-tetrazol-5-ylcarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]methyl]-2-hydroxy-4-phenyl-butanoyl]amino]benzoic acid, Beta-secretase 1 | 著者 | Lindberg, J.D, Borkakoti, N, Derbyshire, D, Nystrom, S. | 登録日 | 2009-12-07 | 公開日 | 2010-12-29 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Investigation of a-phenylnorstatine and a-benzylnorstatine as transition state isostere motifs in the search for new BACE-1 inhibiotrs To be Published
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6NUJ
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8G8A
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![BU of 8g8a by Molmil](/molmil-images/mine/8g8a) | Crystal structure of DH1317.8 Fab in complex with HIV proximal MPER peptide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1317.8 heavy chain, DH1317.8 light chain, ... | 著者 | Janus, B.M, Astavans, A, Ofek, G. | 登録日 | 2023-02-17 | 公開日 | 2024-05-22 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans. Cell, 187, 2024
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8G8C
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![BU of 8g8c by Molmil](/molmil-images/mine/8g8c) | Crystal structure of DH1322.1 Fab in complex with HIV proximal MPER peptide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1322.1 heavy chain, DH1322.1 light chain, ... | 著者 | Niyongabo, A, Janus, B.M, Ofek, G. | 登録日 | 2023-02-17 | 公開日 | 2024-05-22 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans. Cell, 187, 2024
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8G8D
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![BU of 8g8d by Molmil](/molmil-images/mine/8g8d) | Crystal structure of DH1346 Fab in complex with HIV proximal MPER peptide | 分子名称: | DH1346 heavy chain, DH1346 light chain, FLUORIDE ION, ... | 著者 | Niyongabo, A, Janus, B.M, Ofek, G. | 登録日 | 2023-02-17 | 公開日 | 2024-05-22 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans. Cell, 187, 2024
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1QSQ
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![BU of 1qsq by Molmil](/molmil-images/mine/1qsq) | CAVITY CREATING MUTATION | 分子名称: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | 著者 | Gassner, N.C, Baase, W.A, Lindstrom, J, Matthews, B.W. | 登録日 | 1999-06-22 | 公開日 | 1999-06-29 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Methionine and alanine substitutions show that the formation of wild-type-like structure in the carboxy-terminal domain of T4 lysozyme is a rate-limiting step in folding. Biochemistry, 38, 1999
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1KW7
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![BU of 1kw7 by Molmil](/molmil-images/mine/1kw7) | METHIONINE CORE MUTANT OF T4 LYSOZYME | 分子名称: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | 著者 | Gassner, N.C, Baase, W.A, Mooers, B.H, Busam, R.D, Weaver, L.H, Lindstrom, J.D, Quillin, M.L, Matthews, B.W. | 登録日 | 2002-01-28 | 公開日 | 2003-06-03 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Multiple methionine substitutions are tolerated in T4 lysozyme and have coupled effects on folding and stability BIOPHYS.CHEM., 100, 2003
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1KW5
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![BU of 1kw5 by Molmil](/molmil-images/mine/1kw5) | METHIONINE CORE MUTANT OF T4 LYSOZYME | 分子名称: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | 著者 | Gassner, N.C, Baase, W.A, Mooers, B.H, Busam, R.D, Weaver, L.H, Lindstrom, J.D, Quillin, M.L, Matthews, B.W. | 登録日 | 2002-01-28 | 公開日 | 2003-06-03 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Multiple methionine substitutions are tolerated in T4 lysozyme and have coupled effects on folding and stability BIOPHYS.CHEM., 100, 2003
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4GMI
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![BU of 4gmi by Molmil](/molmil-images/mine/4gmi) | BACE-1 in complex with HEA-type macrocyclic inhibitor, MV078571 | 分子名称: | (4S,8E)-4-[(1R)-2-{[2-(5-tert-butyl-1,3-oxazol-2-yl)propan-2-yl]amino}-1-hydroxyethyl]-16-methyl-6-oxa-3-azabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione, ACETATE ION, Beta-secretase 1, ... | 著者 | Lindberg, J.D, Derbyshire, D. | 登録日 | 2012-08-16 | 公開日 | 2013-09-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Design and synthesis of novel BACE-1 inhibitors To be Published
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3I25
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![BU of 3i25 by Molmil](/molmil-images/mine/3i25) | Potent Beta-Secretase 1 hydroxyethylene Inhibitor | 分子名称: | Beta-secretase 1, N-[(2S,3S,5R)-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | 著者 | Lindberg, J.D, Borkakoti, N, Nystrom, S. | 登録日 | 2009-06-29 | 公開日 | 2010-06-02 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of potent BACE-1 inhibitors containing a new hydroxyethylene (HE) scaffold: exploration of P1' alkoxy residues and an aminoethylene (AE) central core Bioorg.Med.Chem., 18, 2010
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3IXK
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![BU of 3ixk by Molmil](/molmil-images/mine/3ixk) | Potent beta-secretase 1 inhibitor | 分子名称: | Beta-secretase 1, N-[(2S,3S,5R)-1-[(3,5-difluorophenyl)methoxy]-3-hydroxy-5-methyl-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | 著者 | Borkakoti, N, Lindberg, J.D, Nystrom, S. | 登録日 | 2009-09-04 | 公開日 | 2010-09-08 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Synthesis of potent BACE-1 inhibitors incorporating a hydroxyethylene isostere as central core. Eur.J.Med.Chem., 45, 2010
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1CVK
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![BU of 1cvk by Molmil](/molmil-images/mine/1cvk) | T4 LYSOZYME MUTANT L118A | 分子名称: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | 著者 | Gassner, N.C, Baase, W.A, Lindstrom, J, Lu, J, Matthews, B.W. | 登録日 | 1999-08-23 | 公開日 | 1999-11-10 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Methionine and alanine substitutions show that the formation of wild-type-like structure in the carboxy-terminal domain of T4 lysozyme is a rate-limiting step in folding. Biochemistry, 38, 1999
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