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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:2024-01-17
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
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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
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
6RXM
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BU of 6rxm by Molmil
Crystal structure of CobB Ac2 (A76G, I131C, V162G) in complex with H4K16-Acetyl peptide
Descriptor: Histone H4, NAD-dependent protein deacylase, ZINC ION
Authors:Spinck, M, Gasper, R, Neumann, H.
Deposit date:2019-06-08
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Evolved, Selective Erasers of Distinct Lysine Acylations.
Angew.Chem.Int.Ed.Engl., 59, 2020
6ISO
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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
6RXQ
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BU of 6rxq by Molmil
Crystal structure of CobB Ac2 (A76G,I131C,V162A) in complex with H4K16Cr-2'OH-ADPr peptide intermediate after soaking
Descriptor: Histone H4, NAD-dependent protein deacylase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{S})-4-[(~{E})-but-2-enoxy]-3,5-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Authors:Spinck, M, Gasper, R, Neumann, H.
Deposit date:2019-06-08
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Evolved, Selective Erasers of Distinct Lysine Acylations.
Angew.Chem.Int.Ed.Engl., 59, 2020
6RXK
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BU of 6rxk by Molmil
Crystal structure of CobB wt in complex with H4K16-Butyryl peptide
Descriptor: Histone H4, NAD-dependent protein deacylase, ZINC ION
Authors:Spinck, M, Gasper, R, Neumann, H.
Deposit date:2019-06-08
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Evolved, Selective Erasers of Distinct Lysine Acylations.
Angew.Chem.Int.Ed.Engl., 59, 2020
6RXS
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BU of 6rxs by Molmil
Crystal structure of CobB Ac3(A76G,Y92A, I131L, V187Y) in complex with H4K16-Acetyl peptide
Descriptor: GLYCEROL, Histone H4, NAD-dependent protein deacylase, ...
Authors:Spinck, M, Gasper, R, Neumann, H.
Deposit date:2019-06-08
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Evolved, Selective Erasers of Distinct Lysine Acylations.
Angew.Chem.Int.Ed.Engl., 59, 2020
6RXJ
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BU of 6rxj by Molmil
Crystal structure of CobB wt in complex with H4K16-Acetyl peptide
Descriptor: Histone H4, NAD-dependent protein deacylase, ZINC ION
Authors:Spinck, M, Gasper, R, Neumann, H.
Deposit date:2019-06-08
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Evolved, Selective Erasers of Distinct Lysine Acylations.
Angew.Chem.Int.Ed.Engl., 59, 2020
6RXP
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BU of 6rxp by Molmil
Crystal structure of CobB Ac2 (A76G,I131C,V162A) in complex with H4K16-Crotonyl peptide
Descriptor: Histone H4, NAD-dependent protein deacylase, ZINC ION
Authors:Spinck, M, Gasper, R, Neumann, H.
Deposit date:2019-06-08
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evolved, Selective Erasers of Distinct Lysine Acylations.
Angew.Chem.Int.Ed.Engl., 59, 2020
6RXL
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BU of 6rxl by Molmil
Crystal structure of CobB wt in complex with H4K16-Crotonyl peptide
Descriptor: Histone H4, NAD-dependent protein deacylase, ZINC ION
Authors:Spinck, M, Gasper, R, Neumann, H.
Deposit date:2019-06-08
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evolved, Selective Erasers of Distinct Lysine Acylations.
Angew.Chem.Int.Ed.Engl., 59, 2020
6RXR
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BU of 6rxr by Molmil
Crystal structure of CobB Ac2 (A76G, I131C, V162G) in complex with H4K16Cr-2'OH-ADPr peptide intermediate after co-crystallisation
Descriptor: Histone H4, NAD-dependent protein deacylase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{S})-4-[(~{E})-but-2-enoxy]-3,5-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Authors:Spinck, M, Gasper, R, Neumann, H.
Deposit date:2019-06-08
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Evolved, Selective Erasers of Distinct Lysine Acylations.
Angew.Chem.Int.Ed.Engl., 59, 2020
6RXO
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BU of 6rxo by Molmil
Crystal structure of CobB Ac2 (A76G, I131C, V162A) in complex with H4K16-Buturyl peptide
Descriptor: Histone H4, NAD-dependent protein deacylase, ZINC ION
Authors:Spinck, M, Gasper, R, Neumann, H.
Deposit date:2019-06-08
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Evolved, Selective Erasers of Distinct Lysine Acylations.
Angew.Chem.Int.Ed.Engl., 59, 2020
6L65
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BU of 6l65 by Molmil
Sirtuin 2 protein with H3K18 myristoylated peptide
Descriptor: MYRISTIC ACID, NAD-dependent protein deacetylase sirtuin-2, PRO-ARG-LYS-GLN-LEU, ...
Authors:Chen, L.F.
Deposit date:2019-10-28
Release date:2020-11-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Sirtuin 2 protein with H3K18 myristoylated peptide
To Be Published
6LJM
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BU of 6ljm by Molmil
Crystal structure of human Sirt5 in complex with the fluorogenic tetrapeptide substrate P13
Descriptor: 7-AMINO-4-METHYL-CHROMEN-2-ONE, ACE-SER-LEU-GLY-SLL, NAD-dependent protein deacylase sirtuin-5, ...
Authors:Chen, Q, Yu, Y.
Deposit date:2019-12-17
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Sensitive fluorogenic substrates for sirtuin deacylase inhibitor discovery.
Eur.J.Med.Chem., 192, 2020
6L66
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BU of 6l66 by Molmil
Sirtuin 2 protein with H3K18 myristoylated peptide and intact NAD molecule
Descriptor: NAD-dependent protein deacetylase sirtuin-2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PRO-ARG-LYS-GLN-LEU-ALA, ...
Authors:Chen, L.F.
Deposit date:2019-10-28
Release date:2020-11-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.169 Å)
Cite:Sirtuin 2 protein with H3K18 myristoylated peptide
To Be Published
6LJN
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BU of 6ljn by Molmil
Crystal structure of human Sirt5 in complex with the fluorogenic tetrapeptide substrate P15
Descriptor: 7-AMINO-4-METHYL-CHROMEN-2-ONE, ACE-HIS-PHE-SER-SLL, NAD-dependent protein deacylase sirtuin-5, ...
Authors:Chen, Q, Yu, Y.
Deposit date:2019-12-17
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Sensitive fluorogenic substrates for sirtuin deacylase inhibitor discovery.
Eur.J.Med.Chem., 192, 2020
6LJK
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BU of 6ljk by Molmil
Crystal structure of human Sirt5 in complex with an internally quenched fluorescent substrate GluIQF
Descriptor: BE2-SER-ALA-ILE-LYS-SER-NIY-GLY-SET, GLUTARIC ACID, NAD-dependent protein deacylase sirtuin-5, ...
Authors:Chen, Q, Yu, Y.
Deposit date:2019-12-17
Release date:2020-12-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.394 Å)
Cite:Sensitive fluorogenic substrates for sirtuin deacylase inhibitor discovery.
Eur.J.Med.Chem., 192, 2020
6L72
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BU of 6l72 by Molmil
Sirtuin 2 demyristoylation native final product
Descriptor: NAD-dependent protein deacetylase sirtuin-2, ZINC ION, [(2S,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] tetradecanoate
Authors:Chen, L.F.
Deposit date:2019-10-30
Release date:2021-03-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Sirtuin 2 protein with H3K18 myristoylated peptide
To Be Published
6L71
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BU of 6l71 by Molmil
Sirtuin 2 demyristoylation native intermediate I & II mixture
Descriptor: NAD-dependent protein deacetylase sirtuin-2, NICOTINAMIDE, PRO-ARG-LYS-GLN-LEU-ALA, ...
Authors:Chen, L.F.
Deposit date:2019-10-30
Release date:2021-03-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.109 Å)
Cite:Sirtuin 2 protein with H3K18 myristoylated peptide
To Be Published
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
Descriptor: GLYCEROL, NAD-dependent protein deacetylase sirtuin-2, N~2~-[3-(2-hydroxyethoxy)propanoyl]-N-phenyl-N~6~-tetradecanethioyl-L-lysinamide, ...
Authors:Price, I.R, Hong, J.
Deposit date:2019-01-22
Release date:2020-01-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A Glycoconjugated SIRT2 Inhibitor with Aqueous Solubility Allows Structure-Based Design of SIRT2 Inhibitors.
Acs Chem.Biol., 14, 2019
4UTN
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BU of 4utn by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with succinylated CPS1-peptide
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ...
Authors:Pannek, M, Gertz, M, Steegborn, C.
Deposit date:2014-07-21
Release date:2014-08-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
4UU7
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BU of 4uu7 by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with 3-methyl- succinylated CPS1-peptide
Descriptor: (2R)-2-methylbutanedioic acid, (2S)-2-methylbutanedioic acid, 1,2-ETHANEDIOL, ...
Authors:Pannek, M, Gertz, M, Steegborn, C.
Deposit date:2014-07-24
Release date:2014-08-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
4UTZ
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BU of 4utz by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with adipoylated CPS1-peptide
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CARBAMOYLPHOSPHATE SYNTHETASE I, ...
Authors:Pannek, M, Gertz, M, Steegborn, C.
Deposit date:2014-07-24
Release date:2014-08-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014

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数据于2024-05-29公开中

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