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5H4D
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Crystal structure of hSIRT3 in complex with a specific agonist Amiodarone hydrochloride
分子名称: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 7-AMINO-4-METHYL-CHROMEN-2-ONE, ARG-HIS-LYS, ...
著者Zhang, S, Fu, L, Liu, J, Liu, B.
登録日2016-10-31
公開日2017-11-08
最終更新日2023-04-05
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Crystal structure of hSIRT3 in complex with a specific agonist Amiodarone hydrochloride
To Be Published
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
7X3P
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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
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2023-10-25
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
6HOY
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Human Sirt6 in complex with ADP-ribose and the inhibitor trichostatin A
分子名称: 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, ...
著者You, W, Steegborn, C.
登録日2018-09-18
公開日2018-11-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis of Sirtuin 6 Inhibition by the Hydroxamate Trichostatin A: Implications for Protein Deacylase Drug Development.
J.Med.Chem., 61, 2018
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
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
6ISO
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Human SIRT3 Recognizing H3K4cr
分子名称: (2E)-BUT-2-ENAL, ARG-THR-LYS-GLN-THR-ALA-ARG, GLYCEROL, ...
著者Wang, Y, Hao, Q.
登録日2018-11-17
公開日2019-01-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Identification of 'erasers' for lysine crotonylated histone marks using a chemical proteomics approach.
Elife, 3, 2014
8TGP
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BU of 8tgp by Molmil
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
4L3O
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Crystal Structure of SIRT2 in complex with the macrocyclic peptide S2iL5
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, NAD-dependent protein deacetylase sirtuin-2, ...
著者Yamagata, K, Nishimasu, H, Ishitani, R, Nureki, O.
登録日2013-06-06
公開日2014-02-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.518 Å)
主引用文献Structural Basis for Potent Inhibition of SIRT2 Deacetylase by a Macrocyclic Peptide Inducing Dynamic Structural Change
Structure, 22, 2013
4KXQ
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Structure of NAD-dependent protein deacetylase sirtuin-1 (closed state, 1.85 A)
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, BETA-MERCAPTOETHANOL, GLYCEROL, ...
著者Davenport, A.M, Huber, F.M, Hoelz, A.
登録日2013-05-27
公開日2013-10-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Structural and Functional Analysis of Human SIRT1.
J.Mol.Biol., 426, 2014
8V15
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Human SIRT3 bound to p53-AMC peptide, Carba-NAD, and Honokiol
分子名称: (1P)-3',5-di(prop-2-en-1-yl)[1,1'-biphenyl]-2,4'-diol, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLN-PRO-LYS-FDL, ...
著者Chakrabarti, R, Ghosh, A, Guan, X, Upadhyay, A, Dumpati, R.K, Munshi, S, Roy, S, Chall, S, Rahnamoun, A, Reverdy, C, Errasti, G, Delacroix, T.
登録日2023-11-19
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Computationally Driven Discovery and Characterization of SIRT3 Activating Compounds that Fully Recover Catalytic Activity under NAD+ Depletion
biorxiv, 2023
8V2N
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Human SIRT3 co-crystallized with ligands, including p53-AMC peptide and Carba-NAD
分子名称: CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLN-PRO-LYS-FDL, NAD-dependent protein deacetylase sirtuin-3, ...
著者Chakrabarti, R, Ghosh, A, Guan, X, Upadhyay, A, Dumpati, R.K, Munshi, S, Roy, S, Chall, S, Rahnamoun, A, Reverdy, C, Errasti, G, Delacroix, T.
登録日2023-11-23
公開日2023-12-06
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Computationally Driven Discovery and Characterization of SIRT3 Activating Compounds that Fully Recover Catalytic Activity under NAD+ Depletion
biorxiv, 2023
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
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
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
7CL0
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Crystal structure of human SIRT6
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ...
著者Song, K, Zhang, J.
登録日2020-07-20
公開日2021-02-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Reply to: Binding site for MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
7CL1
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Human SIRT6 in complex with allosteric activator MDL-801 (3.2A)
分子名称: 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Song, K, Zhang, J.
登録日2020-07-20
公開日2021-02-24
最終更新日2021-05-12
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Reply to: Binding site for MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
1SZD
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BU of 1szd by Molmil
Structural basis for nicotinamide cleavage and ADP-ribose transfer by NAD+-dependent Sir2 histone/protein deacetylases
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, CHLORIDE ION, GLYCEROL, ...
著者Zhao, K, Harshaw, R, Chai, X, Marmorstein, R.
登録日2004-04-05
公開日2004-06-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis for nicotinamide cleavage and ADP-ribose transfer by NAD(+)-dependent Sir2 histone/protein deacetylases.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1SZC
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Structural basis for nicotinamide cleavage and ADP-ribose transfer by NAD+-dependent Sir2 histone/protein deacetylases
分子名称: CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, CHLORIDE ION, GLYCEROL, ...
著者Zhao, K, Harshaw, R, Chai, X, Marmorstein, R.
登録日2004-04-05
公開日2004-06-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for nicotinamide cleavage and ADP-ribose transfer by NAD(+)-dependent Sir2 histone/protein deacetylases.
Proc.Natl.Acad.Sci.Usa, 101, 2004
5OJN
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Sirtuin 4 from Xenopus tropicalis in complex with thioacetyl-ADP-ribose
分子名称: NAD-dependent protein deacylase, ZINC ION, thioacetyl-ADP-ribose
著者Pannek, M, Steegborn, C.
登録日2017-07-22
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of the mitochondrial deacylase Sirtuin 4 reveal isoform-specific acyl recognition and regulation features.
Nat Commun, 8, 2017
5OL0
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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
5OJ7
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Sirtuin 4 orthologue from Xenopus Tropicalis in complex with ADP-ribose
分子名称: 1,2-ETHANEDIOL, GLYCEROL, NAD-dependent protein deacylase, ...
著者Pannek, M, Steegborn, C.
登録日2017-07-20
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structures of the mitochondrial deacylase Sirtuin 4 reveal isoform-specific acyl recognition and regulation features.
Nat Commun, 8, 2017
5OJO
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Sirtuin 5 from Danio rerio in complex with 3-hydroxy-3-methylglutaryl-CPS1 peptide
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Carbamoyl-phosphate synthase [ammonia], ...
著者Pannek, M, Steegborn, C.
登録日2017-07-22
公開日2017-11-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structures of the mitochondrial deacylase Sirtuin 4 reveal isoform-specific acyl recognition and regulation features.
Nat Commun, 8, 2017

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件を2024-03-27に公開中

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