4UUA
 
 | | Crystal structure of zebrafish Sirtuin 5 in complex with 3S-Z-amino- succinylated CPS1-peptide | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CARBAMOYLPHOSPHATE SYNTHETASE I, ... | | 著者 | Pannek, M, Gertz, M, Steegborn, C. | | 登録日 | 2014-07-25 | | 公開日 | 2014-08-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4UUB
 | | Crystal structure of zebrafish Sirtuin 5 in complex with 2R-butyl- succinylated CPS1-peptide | | 分子名称: | (2R)-2-butylbutanedioic acid, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Pannek, M, Gertz, M, Steegborn, C. | | 登録日 | 2014-07-25 | | 公開日 | 2014-08-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4UU8
 | | Crystal structure of zebrafish Sirtuin 5 in complex with 3,3-dimethyl- succinylated CPS1-peptide | | 分子名称: | 1,2-ETHANEDIOL, 2,2-dimethylbutanedioic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Pannek, M, Gertz, M, Steegborn, C. | | 登録日 | 2014-07-24 | | 公開日 | 2014-08-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
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5MF6
 | | Human Sirt6 in complex with activator UBCS039 | | 分子名称: | (4~{R})-4-pyridin-3-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline, 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, ... | | 著者 | Steegborn, C, You, W, Kambach, C. | | 登録日 | 2016-11-17 | | 公開日 | 2016-12-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5MGN
 | | Human Sirt6 in complex with activator UBCS38 | | 分子名称: | (4~{R})-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4~{H}-pyrrolo[1,2-a]quinoxaline, 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, ... | | 著者 | Steegborn, C, You, W, Kambach, C. | | 登録日 | 2016-11-21 | | 公開日 | 2016-12-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5MFZ
 | | Human Sirt6 in complex with small molecule UBCS40 | | 分子名称: | 1,2-ETHANEDIOL, 1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol, NAD-dependent protein deacetylase sirtuin-6, ... | | 著者 | Steegborn, C, You, W, Kambach, C. | | 登録日 | 2016-11-19 | | 公開日 | 2016-12-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules.
Angew. Chem. Int. Ed. Engl., 56, 2017
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4X3O
 | | 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
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4X3P
 | | 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
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5MAT
 | | Structure of human Sirtuin 2 in complex with a selective thienopyrimidinone based inhibitor | | 分子名称: | (7~{R})-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-[(4-methoxynaphthalen-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, HEXAETHYLENE GLYCOL, NAD-dependent protein deacetylase sirtuin-2, ... | | 著者 | Moniot, S, Steegborn, C. | | 登録日 | 2016-11-04 | | 公開日 | 2017-02-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.069 Å) | | 主引用文献 | Thienopyrimidinone Based Sirtuin-2 (SIRT2)-Selective Inhibitors Bind in the Ligand Induced Selectivity Pocket.
J. Med. Chem., 60, 2017
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5MAR
 | | 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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5OJN
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2H2I
 | | The Structural basis of Sirtuin Substrate Affinity | | 分子名称: | (2S,5R,8R,11S,14S,17S,21R)-5,8,11,14,17-PENTAMETHYL-4,7,10,13,16,19-HEXAOXADOCOSANE-2,21-DIOL, NAD-dependent deacetylase, ZINC ION | | 著者 | Cosgrove, M.S, Wolberger, C. | | 登録日 | 2006-05-18 | | 公開日 | 2006-12-05 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The structural basis of sirtuin substrate affinity
Biochemistry, 45, 2006
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2H2G
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5OL0
 | | Structure of Leishmania infantum Silent Information Regulator 2 related protein 1 (LiSIR2rp1) in complex with acetylated p53 peptide | | 分子名称: | Cellular tumor antigen p53, Putative silent information regulator 2,Putative silent information regulator 2, ZINC ION | | 著者 | Ronin, C, Ciesielski, F, Ciapetti, P. | | 登録日 | 2017-07-26 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | The crystal structure of the Leishmania infantum Silent Information Regulator 2 related protein 1: Implications to protein function and drug design.
PLoS ONE, 13, 2018
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5OJ7
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5OJO
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2H4J
 | | Sir2-deacetylated peptide (from enzymatic turnover in crystal) | | 分子名称: | 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE, Cellular tumor antigen p53, NAD-dependent deacetylase, ... | | 著者 | Hoff, K.G, Avalos, J.L, Sens, K, Wolberger, C. | | 登録日 | 2006-05-24 | | 公開日 | 2006-09-05 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Insights into the Sirtuin Mechanism from Ternary Complexes Containing NAD(+) and Acetylated Peptide.
Structure, 14, 2006
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2H2D
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2H2F
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2H2H
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2H4H
 | | Sir2 H116Y mutant-p53 peptide-NAD | | 分子名称: | Cellular tumor antigen p53, NAD-dependent deacetylase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Hoff, K.G, Avalos, J.L, Sens, K, Wolberger, C. | | 登録日 | 2006-05-24 | | 公開日 | 2006-09-05 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Insights into the Sirtuin Mechanism from Ternary Complexes Containing NAD(+) and Acetylated Peptide.
Structure, 14, 2006
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2H59
 | | Sir2 H116A-deacetylated p53 peptide-3'-o-acetyl ADP ribose | | 分子名称: | (2S,3S,4R,5S)-2-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-4,5-DIHYDROXYTETRAHYDROFURAN-3-YL ACETATE, ADENOSINE-5-DIPHOSPHORIBOSE, Cellular tumor antigen p53, ... | | 著者 | Hoff, K.G, Avalos, J.L, Sens, K, Wolberger, C. | | 登録日 | 2006-05-25 | | 公開日 | 2006-09-05 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Insights into the Sirtuin Mechanism from Ternary Complexes Containing NAD(+) and Acetylated Peptide.
Structure, 14, 2006
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2H4F
 | | Sir2-p53 peptide-NAD+ | | 分子名称: | Cellular tumor antigen p53, NAD-dependent deacetylase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Hoff, K.G, Avalos, J.L, Sens, K, Wolberger, C. | | 登録日 | 2006-05-24 | | 公開日 | 2006-09-05 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Insights into the Sirtuin Mechanism from Ternary Complexes Containing NAD(+) and Acetylated Peptide.
Structure, 14, 2006
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4BVG
 | | CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH NATIVE ALKYLIMIDATE FORMED FROM ACETYL-LYSINE ACS2-PEPTIDE CRYSTALLIZED IN PRESENCE OF THE INHIBITOR EX-527 | | 分子名称: | (2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL ACETATE, 1,2-ETHANEDIOL, ACETYL-COENZYME A SYNTHETASE 2-LIKE, ... | | 著者 | Nguyen, G.T.T, Gertz, M, Weyand, M, Steegborn, C. | | 登録日 | 2013-06-25 | | 公開日 | 2013-07-17 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Ex-527 inhibits Sirtuins by exploiting their unique NAD+-dependent deacetylation mechanism.
Proc. Natl. Acad. Sci. U.S.A., 110, 2013
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4BV3
 | | CRYSTAL STRUCTURE OF SIRT3 IN COMPLEX WITH THE INHIBITOR EX-527 AND NAD | | 分子名称: | (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, ADENOSINE-5-DIPHOSPHORIBOSE, CHLORIDE ION, ... | | 著者 | Gertz, M, Nguyen, N.T.T, Weyand, M, Steegborn, C. | | 登録日 | 2013-06-24 | | 公開日 | 2013-07-17 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
Proc.Natl.Acad.Sci.USA, 110, 2013
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