5BWL
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![BU of 5bwl by Molmil](/molmil-images/mine/5bwl) | |
4FVT
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![BU of 4fvt by Molmil](/molmil-images/mine/4fvt) | Human SIRT3 bound to Ac-ACS peptide and Carba-NAD | 分子名称: | Acetylated ACS2 peptide, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLYCEROL, ... | 著者 | Dai, H. | 登録日 | 2012-06-29 | 公開日 | 2012-08-15 | 最終更新日 | 2012-09-19 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Synthesis of Carba-NAD and the Structures of Its Ternary Complexes with SIRT3 and SIRT5. J.Org.Chem., 77, 2012
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6RXP
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![BU of 6rxp by Molmil](/molmil-images/mine/6rxp) | Crystal structure of CobB Ac2 (A76G,I131C,V162A) in complex with H4K16-Crotonyl peptide | 分子名称: | Histone H4, NAD-dependent protein deacylase, ZINC ION | 著者 | Spinck, M, Gasper, R, Neumann, H. | 登録日 | 2019-06-08 | 公開日 | 2020-04-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Evolved, Selective Erasers of Distinct Lysine Acylations. Angew.Chem.Int.Ed.Engl., 59, 2020
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6RXL
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![BU of 6rxl by Molmil](/molmil-images/mine/6rxl) | Crystal structure of CobB wt in complex with H4K16-Crotonyl peptide | 分子名称: | Histone H4, NAD-dependent protein deacylase, ZINC ION | 著者 | Spinck, M, Gasper, R, Neumann, H. | 登録日 | 2019-06-08 | 公開日 | 2020-04-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Evolved, Selective Erasers of Distinct Lysine Acylations. Angew.Chem.Int.Ed.Engl., 59, 2020
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6RXR
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![BU of 6rxr by Molmil](/molmil-images/mine/6rxr) | Crystal structure of CobB Ac2 (A76G, I131C, V162G) in complex with H4K16Cr-2'OH-ADPr peptide intermediate after co-crystallisation | 分子名称: | Histone H4, NAD-dependent protein deacylase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{S})-4-[(~{E})-but-2-enoxy]-3,5-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | 著者 | Spinck, M, Gasper, R, Neumann, H. | 登録日 | 2019-06-08 | 公開日 | 2020-04-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Evolved, Selective Erasers of Distinct Lysine Acylations. Angew.Chem.Int.Ed.Engl., 59, 2020
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6RXO
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![BU of 6rxo by Molmil](/molmil-images/mine/6rxo) | Crystal structure of CobB Ac2 (A76G, I131C, V162A) in complex with H4K16-Buturyl peptide | 分子名称: | Histone H4, NAD-dependent protein deacylase, ZINC ION | 著者 | Spinck, M, Gasper, R, Neumann, H. | 登録日 | 2019-06-08 | 公開日 | 2020-04-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Evolved, Selective Erasers of Distinct Lysine Acylations. Angew.Chem.Int.Ed.Engl., 59, 2020
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4G1C
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![BU of 4g1c by Molmil](/molmil-images/mine/4g1c) | Human SIRT5 bound to Succ-IDH2 and Carba-NAD | 分子名称: | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NAD-dependent protein deacylase sirtuin-5, mitochondrial, ... | 著者 | Dai, H. | 登録日 | 2012-07-10 | 公開日 | 2012-08-15 | 最終更新日 | 2012-09-19 | 実験手法 | X-RAY DIFFRACTION (1.944 Å) | 主引用文献 | Synthesis of Carba-NAD and the Structures of Its Ternary Complexes with SIRT3 and SIRT5. J.Org.Chem., 77, 2012
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5D7Q
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![BU of 5d7q by Molmil](/molmil-images/mine/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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5D7P
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![BU of 5d7p by Molmil](/molmil-images/mine/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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5D7O
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![BU of 5d7o by Molmil](/molmil-images/mine/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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4HDA
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![BU of 4hda by Molmil](/molmil-images/mine/4hda) | |
4HD8
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![BU of 4hd8 by Molmil](/molmil-images/mine/4hd8) | Crystal structure of human Sirt3 in complex with Fluor-de-Lys peptide and piceatannol | 分子名称: | Fluor-de-Lys peptide, ISOPROPYL ALCOHOL, NAD-dependent protein deacetylase sirtuin-3, ... | 著者 | Nguyen, G.T.T, Gertz, M, Steegborn, C. | 登録日 | 2012-10-02 | 公開日 | 2012-12-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | A molecular mechanism for direct sirtuin activation by resveratrol. Plos One, 7, 2012
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4I5I
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![BU of 4i5i by Molmil](/molmil-images/mine/4i5i) | Crystal structure of the SIRT1 catalytic domain bound to NAD and an EX527 analog | 分子名称: | (6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide, NAD-dependent protein deacetylase sirtuin-1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Zhao, X, Allison, D, Condon, B, Zhang, F, Gheyi, T, Zhang, A, Ashok, S, Russell, M, Macewan, I, Qian, Y, Jamison, J.A, Luz, J.G. | 登録日 | 2012-11-28 | 公開日 | 2013-01-23 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The 2.5 angstrom crystal structure of the SIRT1 catalytic domain bound to nicotinamide adenine dinucleotide (NAD+) and an indole (EX527 analogue) reveals a novel mechanism of histone deacetylase inhibition. J.Med.Chem., 56, 2013
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5DY4
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![BU of 5dy4 by Molmil](/molmil-images/mine/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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6RXM
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![BU of 6rxm by Molmil](/molmil-images/mine/6rxm) | Crystal structure of CobB Ac2 (A76G, I131C, V162G) in complex with H4K16-Acetyl peptide | 分子名称: | Histone H4, NAD-dependent protein deacylase, ZINC ION | 著者 | Spinck, M, Gasper, R, Neumann, H. | 登録日 | 2019-06-08 | 公開日 | 2020-04-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Evolved, Selective Erasers of Distinct Lysine Acylations. Angew.Chem.Int.Ed.Engl., 59, 2020
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5D7N
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![BU of 5d7n by Molmil](/molmil-images/mine/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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4IF6
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![BU of 4if6 by Molmil](/molmil-images/mine/4if6) | |
4IG9
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![BU of 4ig9 by Molmil](/molmil-images/mine/4ig9) | |
5DY5
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![BU of 5dy5 by Molmil](/molmil-images/mine/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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4UTN
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![BU of 4utn by Molmil](/molmil-images/mine/4utn) | Crystal structure of zebrafish Sirtuin 5 in complex with succinylated CPS1-peptide | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ... | 著者 | Pannek, M, Gertz, M, Steegborn, C. | 登録日 | 2014-07-21 | 公開日 | 2014-08-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3 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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5MFP
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![BU of 5mfp by Molmil](/molmil-images/mine/5mfp) | Human Sirt6 in complex with activator UBCS58 | 分子名称: | 1,2-ETHANEDIOL, 4-pyridin-3-ylpyrrolo[1,2-a]quinoxaline, NAD-dependent protein deacetylase sirtuin-6, ... | 著者 | Steegborn, C, You, W, Kambach, C. | 登録日 | 2016-11-18 | 公開日 | 2016-12-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.98 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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4UU7
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![BU of 4uu7 by Molmil](/molmil-images/mine/4uu7) | Crystal structure of zebrafish Sirtuin 5 in complex with 3-methyl- succinylated CPS1-peptide | 分子名称: | (2R)-2-methylbutanedioic acid, (2S)-2-methylbutanedioic acid, 1,2-ETHANEDIOL, ... | 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 (3 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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4UTZ
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![BU of 4utz by Molmil](/molmil-images/mine/4utz) | Crystal structure of zebrafish Sirtuin 5 in complex with adipoylated 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 | 2014-07-24 | 公開日 | 2014-08-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.3 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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4UTX
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![BU of 4utx by Molmil](/molmil-images/mine/4utx) | Crystal structure of zebrafish Sirtuin 5 in complex with 3-nitro- propionylated CPS1-peptide | 分子名称: | 1,2-ETHANEDIOL, 3-NITROPROPANOIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Pannek, M, Gertz, M, Steegborn, C. | 登録日 | 2014-07-23 | 公開日 | 2014-08-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.1 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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4UTR
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![BU of 4utr by Molmil](/molmil-images/mine/4utr) | Crystal structure of zebrafish Sirtuin 5 in complex with glutarylated CPS1-peptide | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLUTARIC ACID, ... | 著者 | Pannek, M, Gertz, M, Steegborn, C. | 登録日 | 2014-07-22 | 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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