5ANQ
 
 | | inhibitors of JumonjiC domain-containing histone demethylases | | 分子名称: | 2-{2-[(pyridin-3-ylmethyl)amino]pyrimidin-4-yl}pyridine-4-carboxylic acid, CHLORIDE ION, FE (II) ION, ... | | 著者 | Roatsch, M, Robaa, D, Pippel, M, Nettleship, J.E, Reddivari, Y, Bird, L.E, Hoffmann, I, Franz, H, Owens, R.J, Schuele, R, Flaig, R, Sippl, W, Jung, M. | | 登録日 | 2015-09-07 | | 公開日 | 2016-03-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Substituted 2-(2-Aminopyrimidin-4-Yl)Pyridine-4-Carboxylates as Potent Inhibitors of Jumonjic Domain-Containing Histone Demethylases.
Fut.Med.Chem., 8, 2016
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7AZN
 | | Structure of mouse AsterC (GramD1c) with a new cholesterol-derived compound | | 分子名称: | 20alpha-hydroxy-20-(5-methylhexyl)cholesterol, ETHANOL, GLYCEROL, ... | | 著者 | Romartinez-Alonso, B, Sirvydis, K, Kim, Y, Xiao, X, Jung, M, Tontonoz, P, Schwabe, J. | | 登録日 | 2020-11-16 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Selective Aster inhibitors distinguish vesicular and nonvesicular sterol transport mechanisms.
Proc.Natl.Acad.Sci.USA, 118, 2021
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2RUI
 | | Solution Structure of the Bacillus anthracis Sortase A-substrate Complex | | 分子名称: | Boc-LPAT*, LPXTG-site transpeptidase family protein | | 著者 | Chan, A.H, Yi, S, Jung, M.E, Clubb, R.T. | | 登録日 | 2014-06-22 | | 公開日 | 2015-09-09 | | 最終更新日 | 2023-11-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure of the Bacillus anthracis Sortase A Enzyme Bound to Its Sorting Signal: A FLEXIBLE AMINO-TERMINAL APPENDAGE MODULATES SUBSTRATE ACCESS.
J.Biol.Chem., 290, 2015
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4RMG
 | | Human Sirt2 in complex with SirReal2 and NAD+ | | 分子名称: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, NAD-dependent protein deacetylase sirtuin-2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | | 登録日 | 2014-10-21 | | 公開日 | 2015-02-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
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4RMI
 | | Human Sirt2 in complex with SirReal1 and Ac-Lys-OTC peptide | | 分子名称: | Ac-Lys-OTC peptide, N-(5-benzyl-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide, NAD-dependent protein deacetylase sirtuin-2, ... | | 著者 | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | | 登録日 | 2014-10-21 | | 公開日 | 2015-02-25 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
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4RMJ
 | | Human Sirt2 in complex with ADP ribose and nicotinamide | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-2, ... | | 著者 | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | | 登録日 | 2014-10-21 | | 公開日 | 2015-02-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
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4RMH
 | | Human Sirt2 in complex with SirReal2 and Ac-Lys-H3 peptide | | 分子名称: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, Ac-Lys-H3 peptide, NAD-dependent protein deacetylase sirtuin-2, ... | | 著者 | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | | 登録日 | 2014-10-21 | | 公開日 | 2015-02-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
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8QOO
 | | Crystal structure of human Sirt2 in complex with the peptide-based pseudo-inhibitor TNFn-4.1 | | 分子名称: | (2S,3R)-3-dodecylsulfanyl-2-methyl-butanoic acid, (2S,3S)-3-dodecylsulfanyl-2-methyl-butanoic acid, (R,R)-2,3-BUTANEDIOL, ... | | 著者 | Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M. | | 登録日 | 2023-09-29 | | 公開日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Development of potent TNFa-Myr-based pseudo-inhibitors for Sirtuin 2
To Be Published
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8QT0
 | | Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-3 | | 分子名称: | 1,2-ETHANEDIOL, 3-dodecylsulfanyl-3-methyl-butanoic acid, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M. | | 登録日 | 2023-10-12 | | 公開日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
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8QT4
 | | Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-6 and NAD+ | | 分子名称: | (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M. | | 登録日 | 2023-10-12 | | 公開日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
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8QT1
 | | Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-5 | | 分子名称: | (2S)-2-dodecylsulfanylpropanoic acid, 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-2, ... | | 著者 | Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M. | | 登録日 | 2023-10-12 | | 公開日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
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8QT2
 | | Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-6 | | 分子名称: | (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M. | | 登録日 | 2023-10-12 | | 公開日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
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8QT8
 | | Crystal structure of human Sirt2 in complex with a TNFa-Myr analogue TNFn-34 | | 分子名称: | 3-dodecylsulfanylpropanoic acid, NAD-dependent protein deacetylase sirtuin-2, Peptide-based TNFa-Myr analogue TNFn-34, ... | | 著者 | Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M. | | 登録日 | 2023-10-12 | | 公開日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
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8QTU
 | | Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-3 and NAD+ | | 分子名称: | 1,2-ETHANEDIOL, 3-dodecylsulfanyl-3-methyl-butanoic acid, NAD-dependent protein deacetylase sirtuin-2, ... | | 著者 | Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M. | | 登録日 | 2023-10-13 | | 公開日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
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8QT3
 | | Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-5 and NAD+ | | 分子名称: | (2S)-2-dodecylsulfanylpropanoic acid, 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-2, ... | | 著者 | Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M. | | 登録日 | 2023-10-12 | | 公開日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
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8OWZ
 | | Crystal structure of human Sirt2 in complex with a triazole-based SirReal | | 分子名称: | (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[[3-[[1-(2-methoxyethyl)-1,2,3-triazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazol-2-yl]ethanamide, ... | | 著者 | Friedrich, F, Zhang, L, Schiedel, M, Einsle, O, Jung, M. | | 登録日 | 2023-04-28 | | 公開日 | 2023-11-15 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation.
J.Med.Chem., 66, 2023
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5D7P
 | | Crystal structure of human Sirt2 in complex with ADPR and EX-243 | | 分子名称: | (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-2, ... | | 著者 | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | | 登録日 | 2015-08-14 | | 公開日 | 2015-12-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Seeding for sirtuins: microseed matrix seeding to obtain crystals of human Sirt3 and Sirt2 suitable for soaking.
Acta Crystallogr.,Sect.F, 71, 2015
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5DY4
 | | Crystal structure of human Sirt2 in complex with a brominated 2nd generation SirReal inhibitor and NAD+ | | 分子名称: | N-{5-[(7-bromonaphthalen-1-yl)methyl]-1,3-thiazol-2-yl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide, NAD-dependent protein deacetylase sirtuin-2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | | 登録日 | 2015-09-24 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Aminothiazoles as Potent and Selective Sirt2 Inhibitors: A Structure-Activity Relationship Study.
J.Med.Chem., 59, 2016
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5D7N
 | | Crystal structure of human Sirt3 at an improved resolution | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | | 登録日 | 2015-08-14 | | 公開日 | 2015-12-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Seeding for sirtuins: microseed matrix seeding to obtain crystals of human Sirt3 and Sirt2 suitable for soaking.
Acta Crystallogr.,Sect.F, 71, 2015
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5DY5
 | | Crystal structure of human Sirt2 in complex with a SirReal probe fragment | | 分子名称: | (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | | 登録日 | 2015-09-24 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structure-Based Development of an Affinity Probe for Sirtuin 2.
Angew.Chem.Int.Ed.Engl., 55, 2016
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8PY3
 | | Crystal structure of human Sirt2 in complex with a 1,2,4-oxadiazole based inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-chloranyl-~{N}-[4-[5-[[(3~{S})-1-[(3-fluoranyl-2-methyl-phenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]benzamide, ... | | 著者 | Friedrich, F, Colcerasa, A, Einsle, O, Jung, M. | | 登録日 | 2023-07-24 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structure-Activity Studies of 1,2,4-Oxadiazoles for the Inhibition of the NAD + -Dependent Lysine Deacylase Sirtuin 2.
J.Med.Chem., 67, 2024
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5D7O
 | | Crystal structure of Sirt2-ADPR at an improved resolution | | 分子名称: | NAD-dependent protein deacetylase sirtuin-2, TRIETHYLENE GLYCOL, ZINC ION, ... | | 著者 | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | | 登録日 | 2015-08-14 | | 公開日 | 2015-12-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Seeding for sirtuins: microseed matrix seeding to obtain crystals of human Sirt3 and Sirt2 suitable for soaking.
Acta Crystallogr.,Sect.F, 71, 2015
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5D7Q
 | | Crystal structure of human Sirt2 in complex with ADPR and CHIC35 | | 分子名称: | (6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ... | | 著者 | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | | 登録日 | 2015-08-14 | | 公開日 | 2015-12-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Seeding for sirtuins: microseed matrix seeding to obtain crystals of human Sirt3 and Sirt2 suitable for soaking.
Acta Crystallogr.,Sect.F, 71, 2015
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5YO9
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5YOA
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