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5DY5
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BU of 5dy5 by Molmil
Crystal structure of human Sirt2 in complex with a SirReal probe fragment
Descriptor: (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Rumpf, T, Gerhardt, S, Einsle, O, Jung, M.
Deposit date:2015-09-24
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Based Development of an Affinity Probe for Sirtuin 2.
Angew.Chem.Int.Ed.Engl., 55, 2016
5OL0
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BU of 5ol0 by Molmil
Structure of Leishmania infantum Silent Information Regulator 2 related protein 1 (LiSIR2rp1) in complex with acetylated p53 peptide
Descriptor: Cellular tumor antigen p53, Putative silent information regulator 2,Putative silent information regulator 2, ZINC ION
Authors:Ronin, C, Ciesielski, F, Ciapetti, P.
Deposit date:2017-07-26
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.99 Å)
Cite: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
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
5OJ7
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BU of 5oj7 by Molmil
Sirtuin 4 orthologue from Xenopus Tropicalis in complex with ADP-ribose
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, NAD-dependent protein deacylase, ...
Authors:Pannek, M, Steegborn, C.
Deposit date:2017-07-20
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.58 Å)
Cite: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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BU of 5ojo by Molmil
Sirtuin 5 from Danio rerio in complex with 3-hydroxy-3-methylglutaryl-CPS1 peptide
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Carbamoyl-phosphate synthase [ammonia], ...
Authors:Pannek, M, Steegborn, C.
Deposit date:2017-07-22
Release date:2017-11-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structures of the mitochondrial deacylase Sirtuin 4 reveal isoform-specific acyl recognition and regulation features.
Nat Commun, 8, 2017
7BOT
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BU of 7bot by Molmil
Human SIRT2 in complex with myristoyl thiourea inhibitor, No.23
Descriptor: N-dodecylmethanethioamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ...
Authors:Kudo, N, Olsen, C.A, Minoru, Y.
Deposit date:2020-03-19
Release date:2021-03-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: Myristoyl thiourea inhibitor, No.13, N-dodecylmethanethioamide, ...
Authors:Kudo, N, Olsen, C.A, Minoru, Y.
Deposit date:2020-03-19
Release date:2021-03-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
8CNO
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BU of 8cno by Molmil
Improved complex structure of human Sirtuin 6 with its inhibitor cis-resveratrol
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:You, W, Steegborn, C.
Deposit date:2023-02-23
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 4-azanyl-~{N}-(4-oxidanylcyclohexyl)benzenesulfonamide, CHLORIDE ION, ...
Authors:You, W, Steegborn, C.
Deposit date:2023-02-23
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
6ACL
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BU of 6acl by Molmil
histone lysine desuccinylase Sirt5 in complex with succinyl peptide H2AK95
Descriptor: NAD-dependent protein deacylase sirtuin-5, mitochondrial, ZINC ION, ...
Authors:Hang, T.R, Chen, W.B.
Deposit date:2018-07-26
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:complex structure of histone lysine desuccinylase Sirt5 with succinyl peptide H2AK95
To Be Published
6ACP
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BU of 6acp by Molmil
histone lysine desuccinylase Sirt5 in complex with succinyl peptide H4K91
Descriptor: NAD-dependent protein deacylase sirtuin-5, mitochondrial, ZINC ION, ...
Authors:Hang, T.R, Chen, W.B.
Deposit date:2018-07-26
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:complex structure of histone lysine desuccinylase Sirt5 with succinyl peptide H4K91
To Be Published
6ACE
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BU of 6ace by Molmil
histone lysine desuccinylase Sirt5 in complex with succinyl peptide H3K122
Descriptor: GLYCEROL, NAD-dependent protein deacylase sirtuin-5, mitochondrial, ...
Authors:Hang, T.R, Chen, W.B.
Deposit date:2018-07-26
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:complex structure of histone lysine desuccinylase Sirt5 with succinyl peptide H3K122
To Be Published
3RIY
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BU of 3riy by Molmil
Sirt5 is an NAD-dependent protein lysine demalonylase and desuccinylase
Descriptor: NAD-dependent deacetylase sirtuin-5, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION, ...
Authors:Zhou, Y, Hao, Q.
Deposit date:2011-04-14
Release date:2011-11-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Sirt5 is a NAD-dependent protein lysine demalonylase and desuccinylase
Science, 334, 2011
5OJN
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BU of 5ojn by Molmil
Sirtuin 4 from Xenopus tropicalis in complex with thioacetyl-ADP-ribose
Descriptor: NAD-dependent protein deacylase, ZINC ION, thioacetyl-ADP-ribose
Authors:Pannek, M, Steegborn, C.
Deposit date:2017-07-22
Release date:2017-11-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of the mitochondrial deacylase Sirtuin 4 reveal isoform-specific acyl recognition and regulation features.
Nat Commun, 8, 2017
5FYQ
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BU of 5fyq by Molmil
Sirt2 in complex with a 13-mer trifluoroacetylated Ran peptide
Descriptor: NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-2, RAN AA 31-43, SULFATE ION, ...
Authors:Knyphausen, P, de Boor, S, Scislowski, L, Extra, A, Baldus, L, Schacherl, M, Baumann, U, Neundorf, I, Lammers, M.
Deposit date:2016-03-09
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Insights Into Lysine-Deacetylation of Natively Folded Substrate Proteins by Sirtuins.
J.Biol.Chem., 291, 2016
7CL0
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BU of 7cl0 by Molmil
Crystal structure of human SIRT6
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ...
Authors:Song, K, Zhang, J.
Deposit date:2020-07-20
Release date:2021-02-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Reply to: Binding site for MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
7CL1
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BU of 7cl1 by Molmil
Human SIRT6 in complex with allosteric activator MDL-801 (3.2A)
Descriptor: 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Song, K, Zhang, J.
Deposit date:2020-07-20
Release date:2021-02-24
Last modified:2021-05-12
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Reply to: Binding site for MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
6XV1
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BU of 6xv1 by Molmil
Human Sirt6 13-308 in complex with ADP-ribose and the activator MDL-801
Descriptor: 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, ...
Authors:You, W, Steegborn, C.
Deposit date:2020-01-21
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Binding site for activator MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
6XVG
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BU of 6xvg by Molmil
Human Sirt6 3-318 in complex with ADP-ribose and the activator MDL-801
Descriptor: 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, GLYCEROL, NAD-dependent protein deacetylase sirtuin-6, ...
Authors:You, W, Steegborn, C.
Deposit date:2020-01-22
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Binding site for activator MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
6XV6
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BU of 6xv6 by Molmil
Human Sirt6 3-318 in complex with ADP-ribose
Descriptor: GLYCEROL, NAD-dependent protein deacetylase sirtuin-6, NICOTINAMIDE, ...
Authors:You, W, Steegborn, C.
Deposit date:2020-01-21
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Binding site for activator MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
5H4D
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BU of 5h4d by Molmil
Crystal structure of hSIRT3 in complex with a specific agonist Amiodarone hydrochloride
Descriptor: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 7-AMINO-4-METHYL-CHROMEN-2-ONE, ARG-HIS-LYS, ...
Authors:Zhang, S, Fu, L, Liu, J, Liu, B.
Deposit date:2016-10-31
Release date:2017-11-08
Last modified:2023-04-05
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Crystal structure of hSIRT3 in complex with a specific agonist Amiodarone hydrochloride
To Be Published
6XUY
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BU of 6xuy by Molmil
Human Sirt6 13-308 in complex with ADP-ribose
Descriptor: NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, TRIETHYLENE GLYCOL, ...
Authors:You, W, Steegborn, C.
Deposit date:2020-01-21
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Binding site for activator MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
8GBL
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BU of 8gbl by Molmil
Structure of Apo Human SIRT5
Descriptor: NAD-dependent protein deacylase sirtuin-5, mitochondrial, ZINC ION
Authors:Petrunak, E.M, Stuckey, J.A.
Deposit date:2023-02-26
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Human SIRT5 variants with reduced stability and activity do not cause neuropathology in mice.
Iscience, 27, 2024
8GBN
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BU of 8gbn by Molmil
Structure of Apo Human SIRT5 P114T Mutant
Descriptor: 1,2-ETHANEDIOL, NAD-dependent protein deacylase sirtuin-5, mitochondrial, ...
Authors:Petrunak, E.M, Stuckey, J.A.
Deposit date:2023-02-26
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Human SIRT5 variants with reduced stability and activity do not cause neuropathology in mice.
Iscience, 27, 2024
2H2H
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BU of 2h2h by Molmil
The Structural basis of sirtuin substrate specificity
Descriptor: Histone H4, NAD-dependent deacetylase, ZINC ION
Authors:Cosgrove, M.S, Wolberger, C.
Deposit date:2006-05-18
Release date:2006-12-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structural basis of sirtuin substrate affinity
Biochemistry, 45, 2006

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