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PDB: 40 results

8ANC
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BU of 8anc by Molmil
14-3-3 sigma sirtuin-3 phospho-peptide complex
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:Weyand, M, Steegborn, C, Debbert, L.
Deposit date:2022-08-05
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:14-3-3 sigma sirtuin-3 phospho-peptide complex
To Be Published
4BN4
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BU of 4bn4 by Molmil
Structure of human SIRT3 in complex with ADP-ribose
Descriptor: 2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanoic acid, NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-3, MITOCHONDRIAL, ...
Authors:Nguyen, G.T.T, Schaefer, S, Gertz, M, Weyand, M, Steegborn, C.
Deposit date:2013-05-13
Release date:2013-06-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structures of Human Sirtuin 3 Complexes with Adp-Ribose and with Carba-Nad+ and Srt1720: Binding Details and Inhibition Mechanism
Acta Crystallogr.,Sect.D, 69, 2013
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
Descriptor: NAD-dependent protein deacetylase sirtuin-3, mitochondrial, Protein Tat, ...
Authors:Adolph, R.S, Steegborn, C.
Deposit date:2023-01-27
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Molecular Mechanism of Sirtuin 1 Inhibition by Human Immunodeficiency Virus 1 Tat Protein.
Life, 13, 2023
4JSR
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BU of 4jsr by Molmil
Crystal Structure of human SIRT3 with ELT inhibitor 11c [N-{2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl}-N'-ethylthiophene-2,5-dicarboxamide]
Descriptor: N-{2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl}-N'-ethylthiophene-2,5-dicarboxamide, NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ...
Authors:Dai, H.
Deposit date:2013-03-22
Release date:2013-04-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Thieno[3,2-d]pyrimidine-6-carboxamides as Potent Inhibitors of SIRT1, SIRT2, and SIRT3.
J.Med.Chem., 56, 2013
8V2N
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BU of 8v2n by Molmil
Human SIRT3 co-crystallized with ligands, including p53-AMC peptide and Carba-NAD
Descriptor: CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLN-PRO-LYS-FDL, NAD-dependent protein deacetylase sirtuin-3, ...
Authors: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.
Deposit date:2023-11-23
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Computationally Driven Discovery and Characterization of SIRT3 Activating Compounds that Fully Recover Catalytic Activity under NAD+ Depletion
biorxiv, 2023
3GLR
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BU of 3glr by Molmil
Crystal Structure of human SIRT3 with acetyl-lysine AceCS2 peptide
Descriptor: Acetyl-coenzyme A synthetase 2-like, mitochondrial, BICARBONATE ION, ...
Authors:Jin, L, Wei, W, Jiang, Y, Peng, H, Cai, J, Mao, C, Dai, H, Bemis, J.E, Jirousek, M.R, Milne, J.C, Westphal, C.H, Perni, R.B.
Deposit date:2009-03-12
Release date:2009-06-16
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes.
J.Biol.Chem., 284, 2009
5D7N
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BU of 5d7n by Molmil
Crystal structure of human Sirt3 at an improved resolution
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, MAGNESIUM ION, ...
Authors:Rumpf, T, Gerhardt, S, Einsle, O, Jung, M.
Deposit date:2015-08-14
Release date:2015-12-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Seeding for sirtuins: microseed matrix seeding to obtain crystals of human Sirt3 and Sirt2 suitable for soaking.
Acta Crystallogr.,Sect.F, 71, 2015
5Z94
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BU of 5z94 by Molmil
Crystal Structure of SIRT3 in complex with H3K4bhb peptide
Descriptor: CITRIC ACID, GLYCEROL, Gene for histone H3 (germline gene), ...
Authors:Zhang, X, Li, H.
Deposit date:2018-02-02
Release date:2019-02-06
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Crystal Structure of SIRT3 in complex with H3K4bhb peptide
To Be Published
4BVH
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BU of 4bvh by Molmil
CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THE INHIBITOR EX-527 AND 2'-O-ACETYL-ADP-RIBOSE
Descriptor: (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, 1,2-ETHANEDIOL, 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE, ...
Authors:Gertz, M, Weyand, M, Steegborn, C.
Deposit date:2013-06-25
Release date:2013-07-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
Proc.Natl.Acad.Sci.USA, 110, 2013
5BWN
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BU of 5bwn by Molmil
Crystal Structure of SIRT3 with a H3K9 Peptide Containing a Myristoyl Lysine
Descriptor: NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ZINC ION, ...
Authors:Gai, W, Liu, D.
Deposit date:2015-06-08
Release date:2016-07-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.942 Å)
Cite:Crystal structures of SIRT3 reveal that the alpha 2-alpha 3 loop and alpha 3-helix affect the interaction with long-chain acyl lysine.
Febs Lett., 590, 2016
5Z93
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BU of 5z93 by Molmil
Crystal Structure of SIRT3 in complex with H3K9bhb peptide
Descriptor: Gene for histone H3 (germline gene), NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ...
Authors:Zhang, X, Li, H.
Deposit date:2018-02-02
Release date:2019-02-06
Method:X-RAY DIFFRACTION (1.945 Å)
Cite:Crystal Structure of SIRT3 in complex with H3K9bhb peptide
To Be Published
8CCZ
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BU of 8ccz by Molmil
Crystal structure of human Sirt3 in complex with an inhibiting HIV1 Tat-37-59 peptide
Descriptor: NAD-dependent protein deacetylase sirtuin-3, mitochondrial, Protein Tat, ...
Authors:Adolph, R.S, Steegborn, C.
Deposit date:2023-01-28
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Molecular Mechanism of Sirtuin 1 Inhibition by Human Immunodeficiency Virus 1 Tat Protein.
Life, 13, 2023
4BV3
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BU of 4bv3 by Molmil
CRYSTAL STRUCTURE OF SIRT3 IN COMPLEX WITH THE INHIBITOR EX-527 AND NAD
Descriptor: (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, ADENOSINE-5-DIPHOSPHORIBOSE, CHLORIDE ION, ...
Authors:Gertz, M, Nguyen, N.T.T, Weyand, M, Steegborn, C.
Deposit date:2013-06-24
Release date:2013-07-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
Proc.Natl.Acad.Sci.USA, 110, 2013
4BVB
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BU of 4bvb by Molmil
CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THE INHIBITOR EX-527 AND ADP-RIBOSE
Descriptor: (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-3, MITOCHONDRIAL, ...
Authors:Gertz, M, Weyand, M, Steegborn, C.
Deposit date:2013-06-25
Release date:2013-07-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
Proc.Natl.Acad.Sci.USA, 110, 2013
4O8Z
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BU of 4o8z by Molmil
Crystal structure of human SIRT3 in complex with compound (2-butylbenzofuran-3-yl)(4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl)methanone
Descriptor: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ...
Authors:Liu, B.
Deposit date:2013-12-31
Release date:2015-04-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of human SIRT3 in complex with compound (2-butylbenzofuran-3-yl)(4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl)methanone
To be Published
8HLY
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BU of 8hly by Molmil
Crystal structure of SIRT3 in complex with H3K23la peptide
Descriptor: (2S)-2-HYDROXYPROPANOIC ACID, 1,2-ETHANEDIOL, GLYCEROL, ...
Authors:Zhuming, F, Hao, Q.
Deposit date:2022-12-01
Release date:2023-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of SIRT3 as an eraser of H4K16la.
Iscience, 26, 2023
4C78
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BU of 4c78 by Molmil
Complex of human Sirt3 with Bromo-Resveratrol and ACS2 peptide
Descriptor: 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol, ACETYL-COENZYME A SYNTHETASE 2-LIKE, MITOCHONDRIAL, ...
Authors:Nguyen, G.T.T, Gertz, M, Weyand, M, Steegborn, C.
Deposit date:2013-09-19
Release date:2013-11-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Sirt3 Complexes with 4'-Bromo-Resveratrol Reveal Binding Sites and Inhibition Mechanism.
Chem.Biol., 20, 2013
4BVE
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BU of 4bve by Molmil
CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THIOALKYLIMIDATE FORMED FROM THIO-ACETYL-LYSINE ACS2-PEPTIDE
Descriptor: 1,2-ETHANEDIOL, ACETYL-COENZYME A SYNTHETASE 2-LIKE, MITOCHONDRIAL, ...
Authors:Gertz, M, Weyand, M, Steegborn, C.
Deposit date:2013-06-25
Release date:2013-07-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
Proc.Natl.Acad.Sci.USA, 110, 2013
4FZ3
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BU of 4fz3 by Molmil
Crystal structure of SIRT3 in complex with acetyl p53 peptide coupled with 4-amino-7-methylcoumarin
Descriptor: NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ZINC ION, ...
Authors:Liu, D, Wu, J, Zhang, D, Chen, K, Jiang, H, Liu, H.
Deposit date:2012-07-06
Release date:2013-03-20
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery and Mechanism Study of SIRT1 Activators that Promote the Deacetylation of Fluorophore-Labeled Substrate
J.Med.Chem., 56, 2013
3GLT
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BU of 3glt by Molmil
Crystal Structure of Human SIRT3 with ADPR bound to the AceCS2 peptide containing a thioacetyl lysine
Descriptor: Acetyl-coenzyme A synthetase 2-like, mitochondrial, CARBONATE ION, ...
Authors:Jin, L, Wei, W, Jiang, Y, Peng, H, Cai, J, Mao, C, Dai, H, Bemis, J.E, Jirousek, M.R, Milne, J.C, Westphal, C.H, Perni, R.B.
Deposit date:2009-03-12
Release date:2009-06-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes.
J.Biol.Chem., 284, 2009
4C7B
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BU of 4c7b by Molmil
Complex of human Sirt3 with Bromo-Resveratrol and Fluor-De-Lys peptide
Descriptor: 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Nguyen, G.T.T, Gertz, M, Weyand, M, Steegborn, C.
Deposit date:2013-09-20
Release date:2013-11-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Sirt3 Complexes with 4'-Bromo-Resveratrol Reveal Binding Sites and Inhibition Mechanism.
Chem.Biol., 20, 2013
4JT9
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BU of 4jt9 by Molmil
Crystal Structure of human SIRT3 with ELT inhibitor 3 [14-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide]
Descriptor: 4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide, GLYCEROL, NAD-dependent protein deacetylase sirtuin-3, ...
Authors:Dai, H.
Deposit date:2013-03-22
Release date:2013-04-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Discovery of Thieno[3,2-d]pyrimidine-6-carboxamides as Potent Inhibitors of SIRT1, SIRT2, and SIRT3.
J.Med.Chem., 56, 2013
4JT8
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BU of 4jt8 by Molmil
Crystal Structure of human SIRT3 with ELT inhibitor 28 [4-(4-{2-[(2,2-dimethylpropanoyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide[
Descriptor: 4-(4-{2-[(2,2-dimethylpropanoyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide, NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ...
Authors:Dai, H.
Deposit date:2013-03-22
Release date:2013-04-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Discovery of Thieno[3,2-d]pyrimidine-6-carboxamides as Potent Inhibitors of SIRT1, SIRT2, and SIRT3.
J.Med.Chem., 56, 2013
4HD8
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BU of 4hd8 by Molmil
Crystal structure of human Sirt3 in complex with Fluor-de-Lys peptide and piceatannol
Descriptor: Fluor-de-Lys peptide, ISOPROPYL ALCOHOL, NAD-dependent protein deacetylase sirtuin-3, ...
Authors:Nguyen, G.T.T, Gertz, M, Steegborn, C.
Deposit date:2012-10-02
Release date:2012-12-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A molecular mechanism for direct sirtuin activation by resveratrol.
Plos One, 7, 2012
5BWO
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BU of 5bwo by Molmil
Crystal Structure of Human SIRT3 in Complex with a Palmitoyl H3K9 Peptide
Descriptor: NAD-dependent protein deacetylase sirtuin-3, mitochondrial, PALMITIC ACID, ...
Authors:Gai, W, Jiang, H, Liu, D.
Deposit date:2015-06-08
Release date:2016-07-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.376 Å)
Cite:Crystal structures of SIRT3 reveal that the alpha 2-alpha 3 loop and alpha 3-helix affect the interaction with long-chain acyl lysine.
Febs Lett., 590, 2016

 

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