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5XHS
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BU of 5xhs by Molmil
Crystal structure of SIRT5 complexed with a fluorogenic small-molecule substrate SuBKA
分子名称: (2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid, 7-AMINO-4-METHYL-CHROMEN-2-ONE, NAD-dependent protein deacylase sirtuin-5, ...
著者Yu, Y, Li, B, Chen, Q.
登録日2017-04-24
公開日2018-05-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Interactions between sirtuins and fluorogenic small-molecule substrates offer insights into inhibitor design
Rsc Adv, 7, 2017
2B4Y
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Crystal Structure of Human Sirtuin homolog 5
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5-DIPHOSPHORIBOSE, NAD-dependent deacetylase sirtuin-5, ...
著者Min, J.R, Antoshenko, T, Dong, A, Schuetz, A, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2005-09-27
公開日2006-02-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Human Sirtuin homolog 5 in complex with NAD
To be Published
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
7T1D
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BU of 7t1d by Molmil
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
6NR0
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BU of 6nr0 by Molmil
SIRT2(56-356) with covalent intermediate between mechanism-based inhibitor Glucose-TM-1beta and 1'-SH ADP-ribose
分子名称: GLYCEROL, NAD-dependent protein deacetylase sirtuin-2, N~2~-[3-(2-hydroxyethoxy)propanoyl]-N-phenyl-N~6~-tetradecanethioyl-L-lysinamide, ...
著者Price, I.R, Hong, J.
登録日2019-01-22
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献A Glycoconjugated SIRT2 Inhibitor with Aqueous Solubility Allows Structure-Based Design of SIRT2 Inhibitors.
Acs Chem.Biol., 14, 2019
7X3P
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BU of 7x3p by Molmil
Crystal structure of human SIRT5 in complex with diazirine inhibitor 9
分子名称: 5-[[(5~{S})-6-[[(1~{S})-1-(4-hydroxyphenyl)-2-oxidanylidene-2-(prop-2-ynylamino)ethyl]amino]-6-oxidanylidene-5-[[4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]carbonylamino]hexyl]amino]-5-sulfanylidene-pentanoic acid, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacylase sirtuin-5, ...
著者Li, G.-B, Deng, J.
登録日2022-03-01
公開日2023-09-06
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Crystal structure of human SIRT5 in complex with diazirine inhibitor 9
To Be Published
6ZU4
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Human Sirt6 13-308 in complex with ADP-ribose and the activator fluvastatin
分子名称: (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid, GLYCEROL, NAD-dependent protein deacetylase sirtuin-6, ...
著者You, W, Steegborn, C.
登録日2020-07-21
公開日2020-11-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structural Basis for Activation of Human Sirtuin 6 by Fluvastatin.
Acs Med.Chem.Lett., 11, 2020
6EO0
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BU of 6eo0 by Molmil
Zebrafish Sirt5 in complex with stalled peptidylimidate and bicyclic intermediate of inhibitory compound 29
分子名称: 1,2-ETHANEDIOL, 3-[[(2~{S},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]amino]propanoic acid, 3-[[(~{Z})-~{C}-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-~{N}-[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbonimidoyl]amino]propanoic acid, ...
著者Pannek, M, Steegborn, C.
登録日2017-10-08
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanism-Based Inhibitors of the Human Sirtuin 5 Deacylase: Structure-Activity Relationship, Biostructural, and Kinetic Insight.
Angew. Chem. Int. Ed. Engl., 56, 2017
5X16
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BU of 5x16 by Molmil
Sirt6 apo structure
分子名称: GLYCEROL, NAD-dependent protein deacetylase sirtuin-6, TERTIARY-BUTYL ALCOHOL, ...
著者Zhang, J, Huang, Z, Song, K.
登録日2017-01-24
公開日2018-07-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Sirt6 apo structure
To Be Published
4O8Z
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Crystal structure of human SIRT3 in complex with compound (2-butylbenzofuran-3-yl)(4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl)methanone
分子名称: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ...
著者Liu, B.
登録日2013-12-31
公開日2015-04-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of human SIRT3 in complex with compound (2-butylbenzofuran-3-yl)(4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl)methanone
To be Published
1ICI
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BU of 1ici by Molmil
CRYSTAL STRUCTURE OF A SIR2 HOMOLOG-NAD COMPLEX
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRANSCRIPTIONAL REGULATORY PROTEIN, SIR2 FAMILY, ...
著者Min, J, Landry, J, Sternglanz, R, Xu, R.-M.
登録日2001-04-01
公開日2001-05-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of a SIR2 homolog-NAD complex.
Cell(Cambridge,Mass.), 105, 2001
8CCW
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BU of 8ccw by Molmil
Crystal structure of human Sirt3 in complex with an acetylated HIV1 Tat-46-54 substrate peptide
分子名称: NAD-dependent protein deacetylase sirtuin-3, mitochondrial, Protein Tat, ...
著者Adolph, R.S, Steegborn, C.
登録日2023-01-27
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Molecular Mechanism of Sirtuin 1 Inhibition by Human Immunodeficiency Virus 1 Tat Protein.
Life, 13, 2023
2QQG
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Hst2 bound to ADP-HPD, acetyllated histone H4 and nicotinamide
分子名称: 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, Histone H4, NAD-dependent deacetylase HST2, ...
著者Marmorstein, R, Sanders, B, Zhao, K, Slama, J.
登録日2007-07-26
公開日2007-10-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis for nicotinamide inhibition and base exchange in sir2 enzymes.
Mol.Cell, 25, 2007
8CNO
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BU of 8cno by Molmil
Improved complex structure of human Sirtuin 6 with its inhibitor cis-resveratrol
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者You, W, Steegborn, C.
登録日2023-02-23
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8CNM
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BU of 8cnm by Molmil
Human Sirt6 in complex with the inhibitor S6020 and ADP-ribose
分子名称: 1,2-ETHANEDIOL, 4-azanyl-~{N}-(4-oxidanylcyclohexyl)benzenesulfonamide, CHLORIDE ION, ...
著者You, W, Steegborn, C.
登録日2023-02-23
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
7F4E
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BU of 7f4e by Molmil
Crystal structure of Hst2 in complex with H3K9bz peptide
分子名称: Histone H3, NAD-dependent protein deacetylase HST2, ZINC ION
著者Wang, D, Yan, F, Chen, Y.
登録日2021-06-18
公開日2022-03-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Global profiling of regulatory elements in the histone benzoylation pathway.
Nat Commun, 13, 2022
7F51
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BU of 7f51 by Molmil
Crystal structure of Hst2 in complex with 2'-O-Benzoyl ADP Ribose
分子名称: NAD-dependent protein deacetylase HST2, ZINC ION, [(2R,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] benzoate
著者Wang, D, Yan, F, Chen, Y.
登録日2021-06-21
公開日2022-03-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Global profiling of regulatory elements in the histone benzoylation pathway.
Nat Commun, 13, 2022
3U31
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Plasmodium falciparum Sir2A preferentially hydrolyzes medium and long chain fatty acyl lysine
分子名称: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Transcriptional regulatory protein sir2 homologue, ...
著者Zhou, Y, Hao, Q.
登録日2011-10-04
公開日2011-11-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Plasmodium falciparum Sir2A Preferentially Hydrolyzes Medium and Long Chain Fatty Acyl Lysine
Acs Chem.Biol., 2011
1J8F
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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
3D4B
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BU of 3d4b by Molmil
Crystal structure of Sir2Tm in complex with Acetyl p53 peptide and DADMe-NAD+
分子名称: 5'-O-[(R)-{[(R)-{[(3R,4R)-1-(3-carbamoylbenzyl)-4-hydroxypyrrolidin-3-yl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine, Acetyl P53 peptide, NAD-dependent deacetylase, ...
著者Hawse, W.F, Hoff, K.G, Fatkins, D, Daines, A, Zubkova, O.V, Schramm, V.L, Zheng, W, Wolberger, C.
登録日2008-05-14
公開日2008-09-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into intermediate steps in the Sir2 deacetylation reaction.
Structure, 16, 2008
1YC2
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BU of 1yc2 by Molmil
Sir2Af2-NAD-ADPribose-nicotinamide
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, NAD-dependent deacetylase 2, ...
著者Avalos, J.L, Bever, M.K, Wolberger, C.
登録日2004-12-21
公開日2005-03-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanism of Sirtuin Inhibition by Nicotinamide: Altering the NAD(+) Cosubstrate Specificity of a Sir2 Enzyme.
Mol.Cell, 17, 2005
1YC5
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Sir2-p53 peptide-nicotinamide
分子名称: Cellular tumor antigen p53 peptide, NAD-dependent deacetylase, NICOTINAMIDE, ...
著者Avalos, J.L, Bever, M.K, Wolberger, C.
登録日2004-12-21
公開日2005-04-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Mechanism of sirtuin inhibition by nicotinamide: altering the NAD(+) cosubstrate specificity of a Sir2 enzyme.
Mol.Cell, 17, 2005
3U3D
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Plasmodium falciparum Sir2A preferentially hydrolyzes medium and long chain fatty acyl lysine
分子名称: GLYCEROL, Transcriptional regulatory protein sir2 homologue, ZINC ION, ...
著者Zhou, Y, Hao, Q.
登録日2011-10-05
公開日2011-11-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Plasmodium falciparum Sir2A Preferentially Hydrolyzes Medium and Long Chain Fatty Acyl Lysine
Acs Chem.Biol., 2011
3D81
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Sir2-S-alkylamidate complex crystal structure
分子名称: NAD-dependent deacetylase, S-alkylamidate intermediate, ZINC ION
著者Hawse, W.F, Hoff, K.G, Fatkins, D, Daines, A, Zubkova, O.V, Schramm, V.L, Zheng, W, Wolberger, C.
登録日2008-05-22
公開日2008-09-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insights into intermediate steps in the Sir2 deacetylation reaction.
Structure, 16, 2008
2QQF
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Hst2 bound to ADP-HPD and Acetylated histone H4
分子名称: 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, Histone H4, NAD-dependent deacetylase HST2, ...
著者Marmorstein, R, Sanders, B.D, Zhao, K, Slama, J.
登録日2007-07-26
公開日2007-10-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for nicotinamide inhibition and base exchange in sir2 enzymes.
Mol.Cell, 25, 2007

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