1IKV
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1HWQ
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4DPF
| BACE-1 in complex with a HEA-macrocyclic type inhibitor | 分子名称: | Beta-secretase 1, N-[(4S,8E,11S)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-N-methylmethanesulfonamide | 著者 | Lindberg, J, Borkakoti, N, Derbyshire, D. | 登録日 | 2012-02-13 | 公開日 | 2012-07-11 | 最終更新日 | 2013-01-02 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes. Bioorg.Med.Chem., 20, 2012
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1W6I
| plasmepsin II-pepstatin A complex | 分子名称: | PEPSTATIN, PLASMEPSIN 2 PRECURSOR | 著者 | Lindberg, J, Johansson, P.-O, Rosenquist, A, Kvarnstroem, I, Vrang, L, Samuelsson, B, Unge, T. | 登録日 | 2004-08-18 | 公開日 | 2006-07-05 | 最終更新日 | 2018-01-17 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural Study of a Novel Inhibitor with Bulky P1 Side Chain in Complex with Plasmepsin II -Implications for Drug Design To be Published
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1W6H
| Novel plasmepsin II-inhibitor complex | 分子名称: | N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)-L-VALYL]AMINO}PENTANOYL)-L-ALANYL-L-LEUCINAMIDE, PLASMEPSIN 2 | 著者 | Lindberg, J, Johansson, P.-O, Rosenquist, A, Kvarnstroem, I, Vrang, L, Samuelsson, B, Unge, T. | 登録日 | 2004-08-18 | 公開日 | 2006-07-05 | 最終更新日 | 2018-01-17 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Structural Study of a Novel Inhibitor with Bulky P1 Side Chain in Complex with Plasmepsin II -Implications for Drug Design To be Published
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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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1Q8N
| Solution Structure of the Malachite Green RNA Binding Aptamer | 分子名称: | MALACHITE GREEN, RNA Aptamer | 著者 | Flinders, J, DeFina, S.C, Brackett, D.M, Baugh, C, Wilson, C, Dieckmann, T. | 登録日 | 2003-08-21 | 公開日 | 2004-03-23 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Recognition of planar and nonplanar ligands in the malachite green-RNA aptamer complex. Chembiochem, 5, 2004
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4DPI
| BACE-1 in complex with HEA-macrocyclic inhibitor, MV078512 | 分子名称: | (4S,8E,11R)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-16-methyl-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione, Beta-secretase 1 | 著者 | Lindberg, J, Borkakoti, N, Derbyshire, D. | 登録日 | 2012-02-13 | 公開日 | 2012-07-11 | 最終更新日 | 2013-01-02 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes. Bioorg.Med.Chem., 20, 2012
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2L7C
| Biophysical studies of lipid interacting regions of DGD2 in Arabidopsis thaliana | 分子名称: | Digalactosyldiacylglycerol synthase 2, chloroplastic | 著者 | Szpryngiel, S, Ge, C, Iakovleva, I, Lind, J, Wieslander, A, Maler, L. | 登録日 | 2010-12-07 | 公開日 | 2011-10-19 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Lipid interacting regions in phosphate stress glycosyltransferase atDGD2 from Arabidopsis thaliana. Biochemistry, 50, 2011
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2K44
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1JQS
| Fitting of L11 protein and elongation factor G (domain G' and V) in the cryo-em map of E. coli 70S ribosome bound with EF-G and GMPPCP, a nonhydrolysable GTP analog | 分子名称: | 50S Ribosomal protein L11, Elongation Factor G | 著者 | Agrawal, R.K, Linde, J, Segupta, J, Nierhaus, K.H, Frank, J. | 登録日 | 2001-08-07 | 公開日 | 2001-09-07 | 最終更新日 | 2024-02-07 | 実験手法 | ELECTRON MICROSCOPY (18 Å) | 主引用文献 | Localization of L11 protein on the ribosome and elucidation of its involvement in EF-G-dependent translocation. J.Mol.Biol., 311, 2001
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1JQT
| Fitting of L11 protein in the low resolution cryo-EM map of E.coli 70S ribosome | 分子名称: | 50S Ribosomal protein L11 | 著者 | Agrawal, R.K, Linde, J, Segupta, J, Nierhaus, K.H, Frank, J. | 登録日 | 2001-08-07 | 公開日 | 2001-09-07 | 最終更新日 | 2024-02-07 | 実験手法 | ELECTRON MICROSCOPY (18 Å) | 主引用文献 | Localization of L11 protein on the ribosome and elucidation of its involvement in EF-G-dependent translocation. J.Mol.Biol., 311, 2001
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1MVR
| Decoding Center & Peptidyl transferase center from the X-ray structure of the Thermus thermophilus 70S ribosome, aligned to the low resolution Cryo-EM map of E.coli 70S Ribosome | 分子名称: | 30S RIBOSOMAL PROTEIN S12, 50S ribosomal protein L11, Helix 34 of 16S rRNA, ... | 著者 | Rawat, U.B, Zavialov, A.V, Sengupta, J, Valle, M, Grassucci, R.A, Linde, J, Vestergaard, B, Ehrenberg, M, Frank, J. | 登録日 | 2002-09-26 | 公開日 | 2003-04-01 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (12.8 Å) | 主引用文献 | A cryo-electron microscopic study of ribosome-bound termination factor RF2 Nature, 421, 2003
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1MI6
| Docking of the modified RF2 X-ray structure into the Low Resolution Cryo-EM map of RF2 E.coli 70S Ribosome | 分子名称: | peptide chain release factor RF-2 | 著者 | Rawat, U.B.S, Zavialov, A.V, Sengupta, J, Valle, M, Grassucci, R.A, Linde, J, Vestergaard, B, Ehrenberg, M, Frank, J. | 登録日 | 2002-08-22 | 公開日 | 2003-01-14 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (12.8 Å) | 主引用文献 | A cryo-electron microscopic study of ribosome-bound termination factor RF2 Nature, 421, 2003
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1JQM
| Fitting of L11 protein and elongation factor G (EF-G) in the cryo-em map of e. coli 70S ribosome bound with EF-G, GDP and fusidic acid | 分子名称: | 50S Ribosomal protein L11, Elongation Factor G | 著者 | Agrawal, R.K, Linde, J, Segupta, J, Nierhaus, K.H, Frank, J. | 登録日 | 2001-08-07 | 公開日 | 2001-09-07 | 最終更新日 | 2024-02-07 | 実験手法 | ELECTRON MICROSCOPY (18 Å) | 主引用文献 | Localization of L11 protein on the ribosome and elucidation of its involvement in EF-G-dependent translocation. J.Mol.Biol., 311, 2001
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4URK
| PI3Kg in complex with AZD6482 | 分子名称: | 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM | 著者 | Giordanetto, F, Barlaam, B, Berglund, S, Edman, K, Karlsson, O, Lindberg, J, Nylander, S, Inghardt, T. | 登録日 | 2014-06-30 | 公開日 | 2014-10-22 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of 9-(1-Phenoxyethyl)-2-Morpholino-4-Oxo-Pyrido[1, 2-A]Pyrimidine-7-Carboxamides as Oral Pi3Kbeta Inhibitors, Useful as Antiplatelet Agents. Bioorg.Med.Chem.Lett., 24, 2014
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4UMQ
| Structure of MELK in complex with inhibitors | 分子名称: | 3-{5-[(3-hydroxy-5-methoxyphenyl)amino]-2-(phenylcarbamoyl)phenoxy}propan-1-aminium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | 著者 | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | 登録日 | 2014-05-20 | 公開日 | 2014-10-08 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase Acs Med.Chem.Lett., 6, 2015
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4UMT
| Structure of MELK in complex with inhibitors | 分子名称: | 1-(4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}-2-methoxybenzyl)piperazinediium, DIMETHYL SULFOXIDE, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | 著者 | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | 登録日 | 2014-05-21 | 公開日 | 2014-10-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Structure-Based Design of Type II Inhibitors Applied to Maternal Embryonic Leucine Zipper Kinase. Acs Med.Chem.Lett., 6, 2015
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4UMU
| Structure of MELK in complex with inhibitors | 分子名称: | (2-ethoxy-4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}phenyl)methanaminium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | 著者 | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | 登録日 | 2014-05-21 | 公開日 | 2014-10-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Structure-Based Design of Type II Inhibitors Applied to Maternal Embryonic Leucine Zipper Kinase. Acs Med.Chem.Lett., 6, 2015
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4UMP
| Structure of MELK in complex with inhibitors | 分子名称: | 3-(isoquinolin-7-yl)prop-2-yn-1-ol, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | 著者 | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | 登録日 | 2014-05-20 | 公開日 | 2014-10-08 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase Acs Med.Chem.Lett., 6, 2015
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4UMR
| Structure of MELK in complex with inhibitors | 分子名称: | 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | 著者 | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | 登録日 | 2014-05-20 | 公開日 | 2014-10-08 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase Acs Med.Chem.Lett., 6, 2015
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4U3C
| Docking Site of Maltohexaose in the Mtb GlgE | 分子名称: | Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Ronning, D.R, Lindenberger, J.J. | 登録日 | 2014-07-19 | 公開日 | 2015-07-22 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (3.98 Å) | 主引用文献 | Crystal structures of Mycobacterium tuberculosis GlgE and complexes with non-covalent inhibitors. Sci Rep, 5, 2015
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4U31
| Sco GlgEI-V279S in Complex with maltose-C-phosphonate | 分子名称: | 1,2-ETHANEDIOL, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, CITRIC ACID, ... | 著者 | Ronning, D.R, Lindenberger, J.J. | 登録日 | 2014-07-18 | 公開日 | 2015-07-22 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.849 Å) | 主引用文献 | Crystal structures of Mycobacterium tuberculosis GlgE and complexes with non-covalent inhibitors. Sci Rep, 5, 2015
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4U33
| Structure of Mtb GlgE bound to maltose | 分子名称: | Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Ronning, D.R, Lindenberger, J.J. | 登録日 | 2014-07-18 | 公開日 | 2015-07-22 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (3.293 Å) | 主引用文献 | Crystal structures of Mycobacterium tuberculosis GlgE and complexes with non-covalent inhibitors. Sci Rep, 5, 2015
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4U2Y
| Sco GlgEI-V279S in Complex with Reaction Intermediate Azasugar | 分子名称: | (2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl alpha-D-glucopyranoside, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1 | 著者 | Ronning, D.R, Lindenberger, J.J. | 登録日 | 2014-07-18 | 公開日 | 2015-08-12 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.483 Å) | 主引用文献 | Crystal structures of Mycobacterium tuberculosis GlgE and complexes with non-covalent inhibitors. Sci Rep, 5, 2015
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