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PDB: 42 件
4RMH
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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
4RMI
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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
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
5YQO
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Crystal structure of Sirt2 in complex with selective inhibitor L5C
分子名称: N-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION
著者Wang, H, Yu, Y, Li, G, Chen, Q.
登録日2017-11-07
公開日2018-10-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.483 Å)
主引用文献X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells.
Eur J Med Chem, 155, 2018
4X3O
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Sirt2 in complex with a myristoyl peptide
分子名称: 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ...
著者Wang, Y, Zhang, W.Z, Hao, Q.
登録日2014-12-01
公開日2016-01-13
最終更新日2022-04-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Deacylation Mechanism by SIRT2 Revealed in the 1'-SH-2'-O-Myristoyl Intermediate Structure.
Cell Chem Biol, 24, 2017
4Y6L
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BU of 4y6l by Molmil
Human SIRT2 in complex with myristoylated peptide (H3K9myr)
分子名称: NAD-dependent protein deacetylase sirtuin-2, ZINC ION, peptide THR-ALA-ARG-MYK-SER-THR-GLY
著者Kudo, N, Ito, A, Yoshida, M.
登録日2015-02-13
公開日2016-01-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Kinetic and Structural Basis for Acyl-Group Selectivity and NAD(+) Dependence in Sirtuin-Catalyzed Deacylation.
Biochemistry, 54, 2015
4Y6O
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Human SIRT2 in complex with myristoylated peptide (TNF-alphaK20myr)
分子名称: NAD-dependent protein deacetylase sirtuin-2, ZINC ION, peptide LEU-PRO-LYS-MYK-THR-GLY-GLY
著者Kudo, N, Ito, A, Yoshida, M.
登録日2015-02-13
公開日2016-01-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Kinetic and Structural Basis for Acyl-Group Selectivity and NAD(+) Dependence in Sirtuin-Catalyzed Deacylation.
Biochemistry, 54, 2015
5YQN
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Crystal structure of Sirt2 in complex with selective inhibitor L55
分子名称: DI(HYDROXYETHYL)ETHER, N-[3-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ...
著者Wang, H, Yu, Y, Li, G, Chen, Q.
登録日2017-11-07
公開日2018-10-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells.
Eur J Med Chem, 155, 2018
5YQL
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Crystal structure of Sirt2 in complex with selective inhibitor A2I
分子名称: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide, BETA-MERCAPTOETHANOL, NAD-dependent protein deacetylase sirtuin-2, ...
著者Wang, H, Yu, Y, Li, G, Chen, Q.
登録日2017-11-07
公開日2018-10-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells.
Eur J Med Chem, 155, 2018
3ZGO
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Re-refined structure of the human Sirt2 apoform
分子名称: 1,2-ETHANEDIOL, ETHANOL, HEXAETHYLENE GLYCOL, ...
著者Moniot, S, Steegborn, C.
登録日2012-12-18
公開日2013-03-20
最終更新日2019-11-06
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal Structure Analysis of Human Sirt2 and its Adp-Ribose Complex
J.Struct.Biol., 182, 2013
5D7O
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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
8PY3
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BU of 8py3 by Molmil
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
8OWZ
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BU of 8owz by Molmil
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
7BOT
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BU of 7bot by Molmil
Human SIRT2 in complex with myristoyl thiourea inhibitor, No.23
分子名称: N-dodecylmethanethioamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ...
著者Kudo, N, Olsen, C.A, Minoru, Y.
登録日2020-03-19
公開日2021-03-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mechanism-based inhibitors of SIRT2: structure-activity relationship, X-ray structures, target engagement, regulation of alpha-tubulin acetylation and inhibition of breast cancer cell migration.
Rsc Chem Biol, 2, 2021
7BOS
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BU of 7bos by Molmil
Human SIRT2 in complex with myristoyl thiourea inhibitor, No.13
分子名称: Myristoyl thiourea inhibitor, No.13, N-dodecylmethanethioamide, ...
著者Kudo, N, Olsen, C.A, Minoru, Y.
登録日2020-03-19
公開日2021-03-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mechanism-based inhibitors of SIRT2: structure-activity relationship, X-ray structures, target engagement, regulation of alpha-tubulin acetylation and inhibition of breast cancer cell migration.
Rsc Chem Biol, 2, 2021
1J8F
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BU of 1j8f by Molmil
HUMAN SIRT2 HISTONE DEACETYLASE
分子名称: SIRTUIN 2, ISOFORM 1, ZINC ION
著者Pavletich, N.P, Finnin, M.S, Donigian, J.R.
登録日2001-05-21
公開日2001-07-06
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of the histone deacetylase SIRT2.
Nat.Struct.Biol., 8, 2001
5YQM
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Crystal structure of Sirt2 in complex with selective inhibitor A29
分子名称: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenylsulfanylphenyl)ethanamide, BETA-MERCAPTOETHANOL, NAD-dependent protein deacetylase sirtuin-2, ...
著者Wang, H, Yu, Y, Li, G, chen, Q.
登録日2017-11-07
公開日2018-10-17
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.735 Å)
主引用文献X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells.
Eur J Med Chem, 155, 2018
7T1D
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Human SIRT2 in complex with small molecule 359
分子名称: 1,2-ETHANEDIOL, 7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline, DIMETHYL SULFOXIDE, ...
著者Kulp, J.L, Remiszewski, S, Todd, M, Chiang, L.W.
登録日2021-12-01
公開日2023-05-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献An allosteric inhibitor of sirtuin 2 deacetylase activity exhibits broad-spectrum antiviral activity.
J.Clin.Invest., 133, 2023
5D7P
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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
8TGP
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Crystal structure of SIRT2 with FAM-PEG4-H4K16(myristoyl) peptide
分子名称: H4K16(myristoyl) peptide, MYRISTIC ACID, NAD-dependent protein deacetylase sirtuin-2, ...
著者Nicely, N.I, Weiser, B.P.
登録日2023-07-12
公開日2024-01-24
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Effects of Dimerization on the Deacylase Activities of Human SIRT2.
Biochemistry, 62, 2023
5DY4
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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
4X3P
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Sirt2 in complex with a myristoyl peptide
分子名称: 1,2-ETHANEDIOL, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NAD-dependent protein deacetylase sirtuin-2, ...
著者Wang, Y, Zhang, W, Hao, Q.
登録日2014-12-01
公開日2016-01-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Deacylation Mechanism by SIRT2 Revealed in the 1'-SH-2'-O-Myristoyl Intermediate Structure.
Cell Chem Biol, 24, 2017
6L65
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Sirtuin 2 protein with H3K18 myristoylated peptide
分子名称: MYRISTIC ACID, NAD-dependent protein deacetylase sirtuin-2, PRO-ARG-LYS-GLN-LEU, ...
著者Chen, L.F.
登録日2019-10-28
公開日2020-11-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Sirtuin 2 protein with H3K18 myristoylated peptide
To Be Published
4RMJ
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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
4RMG
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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
5MAR
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Structure of human SIRT2 in complex with 1,2,4-Oxadiazole inhibitor and ADP ribose.
分子名称: 1,2-ETHANEDIOL, 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol, ACETATE ION, ...
著者Moniot, S, Steegborn, C.
登録日2016-11-04
公開日2017-03-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Development of 1,2,4-Oxadiazoles as Potent and Selective Inhibitors of the Human Deacetylase Sirtuin 2: Structure-Activity Relationship, X-ray Crystal Structure, and Anticancer Activity.
J. Med. Chem., 60, 2017

 

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