Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

5H4D
DownloadVisualize
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
2B4Y
DownloadVisualize
BU of 2b4y by Molmil
Crystal Structure of Human Sirtuin homolog 5
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5-DIPHOSPHORIBOSE, NAD-dependent deacetylase sirtuin-5, ...
Authors: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)
Deposit date:2005-09-27
Release date:2006-02-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Human Sirtuin homolog 5 in complex with NAD
To be Published
7X3P
DownloadVisualize
BU of 7x3p by Molmil
Crystal structure of human SIRT5 in complex with diazirine inhibitor 9
Descriptor: 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, ...
Authors:Li, G.-B, Deng, J.
Deposit date:2022-03-01
Release date:2023-09-06
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal structure of human SIRT5 in complex with diazirine inhibitor 9
To Be Published
7T1D
DownloadVisualize
BU of 7t1d by Molmil
Human SIRT2 in complex with small molecule 359
Descriptor: 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, ...
Authors:Kulp, J.L, Remiszewski, S, Todd, M, Chiang, L.W.
Deposit date:2021-12-01
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:An allosteric inhibitor of sirtuin 2 deacetylase activity exhibits broad-spectrum antiviral activity.
J.Clin.Invest., 133, 2023
6HOY
DownloadVisualize
BU of 6hoy by Molmil
Human Sirt6 in complex with ADP-ribose and the inhibitor trichostatin A
Descriptor: 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, ...
Authors:You, W, Steegborn, C.
Deposit date:2018-09-18
Release date:2018-11-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis of Sirtuin 6 Inhibition by the Hydroxamate Trichostatin A: Implications for Protein Deacylase Drug Development.
J.Med.Chem., 61, 2018
3D4B
DownloadVisualize
BU of 3d4b by Molmil
Crystal structure of Sir2Tm in complex with Acetyl p53 peptide and DADMe-NAD+
Descriptor: 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, ...
Authors:Hawse, W.F, Hoff, K.G, Fatkins, D, Daines, A, Zubkova, O.V, Schramm, V.L, Zheng, W, Wolberger, C.
Deposit date:2008-05-14
Release date:2008-09-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into intermediate steps in the Sir2 deacetylation reaction.
Structure, 16, 2008
3D81
DownloadVisualize
BU of 3d81 by Molmil
Sir2-S-alkylamidate complex crystal structure
Descriptor: NAD-dependent deacetylase, S-alkylamidate intermediate, ZINC ION
Authors:Hawse, W.F, Hoff, K.G, Fatkins, D, Daines, A, Zubkova, O.V, Schramm, V.L, Zheng, W, Wolberger, C.
Deposit date:2008-05-22
Release date:2008-09-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into intermediate steps in the Sir2 deacetylation reaction.
Structure, 16, 2008
6ISO
DownloadVisualize
BU of 6iso by Molmil
Human SIRT3 Recognizing H3K4cr
Descriptor: (2E)-BUT-2-ENAL, ARG-THR-LYS-GLN-THR-ALA-ARG, GLYCEROL, ...
Authors:Wang, Y, Hao, Q.
Deposit date:2018-11-17
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Identification of 'erasers' for lysine crotonylated histone marks using a chemical proteomics approach.
Elife, 3, 2014
8TGP
DownloadVisualize
BU of 8tgp by Molmil
Crystal structure of SIRT2 with FAM-PEG4-H4K16(myristoyl) peptide
Descriptor: H4K16(myristoyl) peptide, MYRISTIC ACID, NAD-dependent protein deacetylase sirtuin-2, ...
Authors:Nicely, N.I, Weiser, B.P.
Deposit date:2023-07-12
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Effects of Dimerization on the Deacylase Activities of Human SIRT2.
Biochemistry, 62, 2023
4L3O
DownloadVisualize
BU of 4l3o by Molmil
Crystal Structure of SIRT2 in complex with the macrocyclic peptide S2iL5
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, NAD-dependent protein deacetylase sirtuin-2, ...
Authors:Yamagata, K, Nishimasu, H, Ishitani, R, Nureki, O.
Deposit date:2013-06-06
Release date:2014-02-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.518 Å)
Cite:Structural Basis for Potent Inhibition of SIRT2 Deacetylase by a Macrocyclic Peptide Inducing Dynamic Structural Change
Structure, 22, 2013
4KXQ
DownloadVisualize
BU of 4kxq by Molmil
Structure of NAD-dependent protein deacetylase sirtuin-1 (closed state, 1.85 A)
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, BETA-MERCAPTOETHANOL, GLYCEROL, ...
Authors:Davenport, A.M, Huber, F.M, Hoelz, A.
Deposit date:2013-05-27
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Structural and Functional Analysis of Human SIRT1.
J.Mol.Biol., 426, 2014
8V15
DownloadVisualize
BU of 8v15 by Molmil
Human SIRT3 bound to p53-AMC peptide, Carba-NAD, and Honokiol
Descriptor: (1P)-3',5-di(prop-2-en-1-yl)[1,1'-biphenyl]-2,4'-diol, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLN-PRO-LYS-FDL, ...
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:2023-11-19
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Computationally Driven Discovery and Characterization of SIRT3 Activating Compounds that Fully Recover Catalytic Activity under NAD+ Depletion
biorxiv, 2023
8V2N
DownloadVisualize
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
6ZU4
DownloadVisualize
BU of 6zu4 by Molmil
Human Sirt6 13-308 in complex with ADP-ribose and the activator fluvastatin
Descriptor: (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, ...
Authors:You, W, Steegborn, C.
Deposit date:2020-07-21
Release date:2020-11-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structural Basis for Activation of Human Sirtuin 6 by Fluvastatin.
Acs Med.Chem.Lett., 11, 2020
7BOT
DownloadVisualize
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
DownloadVisualize
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
4O8Z
DownloadVisualize
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
7CL0
DownloadVisualize
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
DownloadVisualize
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
1SZD
DownloadVisualize
BU of 1szd by Molmil
Structural basis for nicotinamide cleavage and ADP-ribose transfer by NAD+-dependent Sir2 histone/protein deacetylases
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, CHLORIDE ION, GLYCEROL, ...
Authors:Zhao, K, Harshaw, R, Chai, X, Marmorstein, R.
Deposit date:2004-04-05
Release date:2004-06-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for nicotinamide cleavage and ADP-ribose transfer by NAD(+)-dependent Sir2 histone/protein deacetylases.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1SZC
DownloadVisualize
BU of 1szc by Molmil
Structural basis for nicotinamide cleavage and ADP-ribose transfer by NAD+-dependent Sir2 histone/protein deacetylases
Descriptor: CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, CHLORIDE ION, GLYCEROL, ...
Authors:Zhao, K, Harshaw, R, Chai, X, Marmorstein, R.
Deposit date:2004-04-05
Release date:2004-06-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for nicotinamide cleavage and ADP-ribose transfer by NAD(+)-dependent Sir2 histone/protein deacetylases.
Proc.Natl.Acad.Sci.Usa, 101, 2004
5OJN
DownloadVisualize
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:2024-01-17
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
5OL0
DownloadVisualize
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
5OJ7
DownloadVisualize
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
DownloadVisualize
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

217705

数据于2024-03-27公开中

PDB statisticsPDBj update infoContact PDBjnumon