4J71
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![BU of 4j71 by Molmil](/molmil-images/mine/4j71) | Crystal Structure of GSK3b in complex with inhibitor 1R | 分子名称: | (2R)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, CHLORIDE ION, Glycogen synthase kinase-3 beta, ... | 著者 | Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2013-02-12 | 公開日 | 2013-03-20 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor To be Published
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1PG9
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![BU of 1pg9 by Molmil](/molmil-images/mine/1pg9) | NMR Solution Structure of an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link in a DNA Dodecamer Duplex | 分子名称: | 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3', CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II) | 著者 | Wu, Y, Pradhan, P, Havener, J, Chaney, S.G, Campbel, S.L. | 登録日 | 2003-05-28 | 公開日 | 2004-07-06 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR solution structure of an oxaliplatin 1,2-d(GG) intrastrand cross-link in a DNA dodecamer duplex J.Mol.Biol., 341, 2004
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1W74
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![BU of 1w74 by Molmil](/molmil-images/mine/1w74) | X-ray structure of peptidyl-prolyl cis-trans isomerase A, PpiA, Rv0009, from Mycobacterium tuberculosis. | 分子名称: | PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | 著者 | Henriksson, L.M, Johansson, P, Unge, T, Mowbray, S.L. | 登録日 | 2004-08-27 | 公開日 | 2004-10-20 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | X-Ray Structure of Peptidyl-Prolyl Cis-Trans Isomerase a from Mycobacterium Tuberculosis Eur.J.Biochem., 271, 2004
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2K0Q
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![BU of 2k0q by Molmil](/molmil-images/mine/2k0q) | Solution structure of CopK, a periplasmic protein involved in copper resistance in Cupriavidus metallidurans CH34 | 分子名称: | Putative uncharacterized protein copK | 著者 | Bersch, B, Favier, A, Schanda, P, Coves, J, van Aelst, S, Vallaeys, T, Wattiez, R, Mergeay, M. | 登録日 | 2008-02-12 | 公開日 | 2008-05-27 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Molecular structure and metal-binding properties of the periplasmic CopK protein expressed in Cupriavidus metallidurans CH34 during copper challenge. J.Mol.Biol., 380, 2008
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4AJM
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![BU of 4ajm by Molmil](/molmil-images/mine/4ajm) | Development of a plate-based optical biosensor methodology to identify PDE10 fragment inhibitors | 分子名称: | 3-AMINO-6-FLUORO-2-[4-(2-METHYLPYRIDIN-4-YL)PHENYL]-N-(METHYLSULFONYL)QUINOLINE-4-CARBOXAMIDE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ... | 著者 | Geschwindner, S, Johansson, P, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Albert, J.S. | 登録日 | 2012-02-16 | 公開日 | 2013-03-06 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Development of a Plate-Based Optical Biosensor Methodology to Identify Pde10 Fragment Inhibitors To be Published
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2L3Z
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![BU of 2l3z by Molmil](/molmil-images/mine/2l3z) | Proton-Detected 4D DREAM Solid-State NMR Structure of Ubiquitin | 分子名称: | Ubiquitin | 著者 | Huber, M, Hiller, S, Schanda, P, Ernst, M, Bockmann, A, Verel, R, Meier, B.H. | 登録日 | 2010-09-27 | 公開日 | 2011-02-16 | 最終更新日 | 2024-05-01 | 実験手法 | SOLID-STATE NMR | 主引用文献 | A Proton-Detected 4D Solid-State NMR Experiment for Protein Structure Determination. Chemphyschem, 12, 2011
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2VEO
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![BU of 2veo by Molmil](/molmil-images/mine/2veo) | X-ray structure of Candida antarctica lipase A in its closed state. | 分子名称: | GLYCEROL, LIPASE A, TETRAETHYLENE GLYCOL, ... | 著者 | Ericsson, D.J, Kasrayan, A, Johansson, P, Bergfors, T, Sandstrom, A.G, Backvall, J.E, Mowbray, S.L. | 登録日 | 2007-10-25 | 公開日 | 2007-11-06 | 最終更新日 | 2015-04-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | X-Ray Structure of Candida Antarctica Lipase a Shows a Novel Lid Structure and a Likely Mode of Interfacial Activation. J.Mol.Biol., 376, 2008
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2WTO
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![BU of 2wto by Molmil](/molmil-images/mine/2wto) | Crystal Structure of Apo-form Czce from C. metallidurans CH34 | 分子名称: | CHLORIDE ION, MAGNESIUM ION, ORF131 PROTEIN | 著者 | Haertlein, I, Girard, E, Sarret, G, Hazemann, J, Gourhant, P, Kahn, R, Coves, J. | 登録日 | 2009-09-18 | 公開日 | 2010-08-18 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Evidence for Conformational Changes Upon Copper Binding to Cupriavidus Metallidurans Czce. Biochemistry, 49, 2010
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4OV4
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![BU of 4ov4 by Molmil](/molmil-images/mine/4ov4) | Isopropylmalate synthase binding with ketoisovalerate | 分子名称: | 2-isopropylmalate synthase, 3-METHYL-2-OXOBUTANOIC ACID, ZINC ION | 著者 | Zhang, Z, Wu, J, Wang, C, Zhang, P. | 登録日 | 2014-02-20 | 公開日 | 2014-08-20 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Subdomain II of alpha-isopropylmalate synthase is essential for activity: inferring a mechanism of feedback inhibition. J.Biol.Chem., 289, 2014
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4G91
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![BU of 4g91 by Molmil](/molmil-images/mine/4g91) | CCAAT-binding complex from Aspergillus nidulans | 分子名称: | HAPB protein, HapE, Transcription factor HapC (Eurofung) | 著者 | Huber, E.M, Scharf, D.H, Hortschansky, P, Groll, M, Brakhage, A.A. | 登録日 | 2012-07-23 | 公開日 | 2012-10-31 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | DNA Minor Groove Sensing and Widening by the CCAAT-Binding Complex. Structure, 20, 2012
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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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2WTP
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![BU of 2wtp by Molmil](/molmil-images/mine/2wtp) | Crystal Structure of Cu-form Czce from C. metallidurans CH34 | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | 著者 | Haertlein, I, Girard, E, Sarret, G, Hazemann, J, Gourhant, P, Kahn, R, Coves, J. | 登録日 | 2009-09-18 | 公開日 | 2010-08-18 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Evidence for Conformational Changes Upon Copper Binding to Cupriavidus Metallidurans Czce. Biochemistry, 49, 2010
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4G92
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![BU of 4g92 by Molmil](/molmil-images/mine/4g92) | CCAAT-binding complex from Aspergillus nidulans with DNA | 分子名称: | DNA, HAPB protein, HapE, ... | 著者 | Huber, E.M, Scharf, D.H, Hortschansky, P, Groll, M, Brakhage, A.A. | 登録日 | 2012-07-23 | 公開日 | 2012-10-31 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | DNA Minor Groove Sensing and Widening by the CCAAT-Binding Complex. Structure, 20, 2012
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2WA2
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![BU of 2wa2 by Molmil](/molmil-images/mine/2wa2) | Structure of the methyltransferase domain from Modoc Virus, a Flavivirus with No Known Vector (NKV) | 分子名称: | NON-STRUCTURAL PROTEIN 5, S-ADENOSYLMETHIONINE, SULFATE ION | 著者 | Jansson, A.M, Johansson, P, Jones, T.A. | 登録日 | 2009-02-02 | 公開日 | 2009-08-04 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure of the Methyltransferase Domain from the Modoc Virus, a Flavivirus with No Known Vector. Acta Crystallogr.,Sect.D, 65, 2009
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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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3S32
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![BU of 3s32 by Molmil](/molmil-images/mine/3s32) | Crystal structure of Ash2L N-terminal domain | 分子名称: | Set1/Ash2 histone methyltransferase complex subunit ASH2, ZINC ION | 著者 | Sarvan, S, Avdic, V, Tremblay, V, Chaturvedi, C.-P, Zhang, P, Lanouette, S, Blais, A, Brunzelle, J.S, Brand, M, Couture, J.-F. | 登録日 | 2011-05-17 | 公開日 | 2011-06-08 | 最終更新日 | 2012-01-11 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Crystal structure of the trithorax group protein ASH2L reveals a forkhead-like DNA binding domain. Nat.Struct.Mol.Biol., 18, 2011
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4GH8
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![BU of 4gh8 by Molmil](/molmil-images/mine/4gh8) | Crystal structure of a 'humanized' E. coli dihydrofolate reductase | 分子名称: | CALCIUM ION, Dihydrofolate reductase, METHOTREXATE, ... | 著者 | French, J.B, Liu, C.T, Hanoian, P, Pringle, T.H, Hammes-Schiffer, S, Benkovic, S.J. | 登録日 | 2012-08-07 | 公開日 | 2013-06-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Functional significance of evolving protein sequence in dihydrofolate reductase from bacteria to humans. Proc.Natl.Acad.Sci.USA, 110, 2013
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4OV9
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![BU of 4ov9 by Molmil](/molmil-images/mine/4ov9) | Structure of isopropylmalate synthase binding with alpha-isopropylmalate | 分子名称: | (2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid, ZINC ION, isopropylmalate synthase | 著者 | Zhang, Z, Wu, J, Wang, C, Zhang, P. | 登録日 | 2014-02-20 | 公開日 | 2014-08-20 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Subdomain II of alpha-isopropylmalate synthase is essential for activity: inferring a mechanism of feedback inhibition. J.Biol.Chem., 289, 2014
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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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2X98
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![BU of 2x98 by Molmil](/molmil-images/mine/2x98) | H.SALINARUM ALKALINE PHOSPHATASE | 分子名称: | ALKALINE PHOSPHATASE, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Wende, A, Johansson, P, Grininger, M, Oesterhelt, D. | 登録日 | 2010-03-14 | 公開日 | 2010-05-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural and Biochemical Characterization of a Halophilic Archaeal Alkaline Phosphatase. J.Mol.Biol., 400, 2010
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4RFS
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![BU of 4rfs by Molmil](/molmil-images/mine/4rfs) | Structure of a pantothenate energy coupling factor transporter | 分子名称: | Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, Energy-coupling factor transporter transmembrane protein EcfT, ... | 著者 | Zhang, M, Bao, Z, Zhao, Q, Guo, H, Xu, K, Zhang, P. | 登録日 | 2014-09-27 | 公開日 | 2014-12-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.232 Å) | 主引用文献 | Structure of a pantothenate transporter and implications for ECF module sharing and energy coupling of group II ECF transporters. Proc.Natl.Acad.Sci.USA, 111, 2014
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4AL1
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![BU of 4al1 by Molmil](/molmil-images/mine/4al1) | Crystal structure of Human PS-1 GSH-analog complex | 分子名称: | L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine, PALMITIC ACID, PROSTAGLANDIN E SYNTHASE, ... | 著者 | Sjogren, T, Nord, J, Ek, M, Johansson, P, Liu, G, Geschwindner, S. | 登録日 | 2012-02-29 | 公開日 | 2013-02-06 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Crystal Structure of Microsomal Prostaglandin E2 Synthase Provides Insight Into Diversity in the Mapeg Superfamily. Proc.Natl.Acad.Sci.USA, 110, 2013
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1QCO
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![BU of 1qco by Molmil](/molmil-images/mine/1qco) | CRYSTAL STRUCTURE OF FUMARYLACETOACETATE HYDROLASE COMPLEXED WITH FUMARATE AND ACETOACETATE | 分子名称: | ACETOACETIC ACID, CALCIUM ION, FUMARIC ACID, ... | 著者 | Timm, D.E, Mueller, H.A, Bhanumoorthy, P, Harp, J.M, Bunick, G.J. | 登録日 | 1999-05-17 | 公開日 | 2000-06-07 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure and mechanism of a carbon-carbon bond hydrolase. Structure Fold.Des., 7, 1999
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4B1D
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![BU of 4b1d by Molmil](/molmil-images/mine/4b1d) | New Aminoimidazoles as BACE-1 Inhibitors: From Rational Design to Ab- lowering in Brain | 分子名称: | (2S)-2-(4-methoxy-3,5-dimethylphenyl)-5-methyl-2-(3-pyrimidin-5-ylphenyl)-2H-imidazol-4-amine, ACETATE ION, BETA-SECRETASE 1 | 著者 | Rahm, F, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, von Berg, S, von Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Gravenfors, Y. | 登録日 | 2012-07-10 | 公開日 | 2012-10-10 | 最終更新日 | 2018-02-14 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | New aminoimidazoles as beta-secretase (BACE-1) inhibitors showing amyloid-beta (A beta ) lowering in brain. J. Med. Chem., 55, 2012
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