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4RMG
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BU of 4rmg by Molmil
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
4RMI
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BU of 4rmi by Molmil
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
4RMJ
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BU of 4rmj by Molmil
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
4RMH
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BU of 4rmh by Molmil
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
5D7P
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BU of 5d7p by Molmil
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
5D7O
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BU of 5d7o by Molmil
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
5D7N
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BU of 5d7n by Molmil
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
5D7Q
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BU of 5d7q by Molmil
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
5DY4
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BU of 5dy4 by Molmil
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
5DY5
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BU of 5dy5 by Molmil
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
4CQF
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BU of 4cqf by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a mercaptoacetamide inhibitor
分子名称: 6-(2-Mercaptoacetylamino)-N-phenylhexanamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
著者Marek, M, Romier, C.
登録日2014-02-14
公開日2014-04-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular Basis for the Anti-Parasitic Activity of a Mercaptoacetamide Derivative that Inhibits Histone Deacetylase 8 (Hdac8) from the Human Pathogen Schistosoma Mansoni
J.Mol.Biol., 426, 2014

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件を2024-11-06に公開中

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