PDB: 221 件ウェブページステータス検索Chemie searchBIRD

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8XE7	Crystal structure of human Sirt2 without Sirt2-specific insertion 分子名称: NAD-dependent protein deacetylase sirtuin-2, ZINC ION 著者 Konuma, T, Akashi, S. 登録日 2023-12-11 公開日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Biophysical insights into the dimer formation of human Sirtuin 2. Protein Sci., 33, 2024
5XHS	Crystal structure of SIRT5 complexed with a fluorogenic small-molecule substrate SuBKA 分子名称: (2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid, 7-AMINO-4-METHYL-CHROMEN-2-ONE, NAD-dependent protein deacylase sirtuin-5, ... 著者 Yu, Y, Li, B, Chen, Q. 登録日 2017-04-24 公開日 2018-05-02 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 Interactions between sirtuins and fluorogenic small-molecule substrates offer insights into inhibitor design Rsc Adv, 7, 2017
2QQG	Hst2 bound to ADP-HPD, acetyllated histone H4 and nicotinamide 分子名称: 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, Histone H4, NAD-dependent deacetylase HST2, ... 著者 Marmorstein, R, Sanders, B, Zhao, K, Slama, J. 登録日 2007-07-26 公開日 2007-10-09 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Structural basis for nicotinamide inhibition and base exchange in sir2 enzymes. Mol.Cell, 25, 2007
3U31	Plasmodium falciparum Sir2A preferentially hydrolyzes medium and long chain fatty acyl lysine 分子名称: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Transcriptional regulatory protein sir2 homologue, ... 著者 Zhou, Y, Hao, Q. 登録日 2011-10-04 公開日 2011-11-09 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Plasmodium falciparum Sir2A Preferentially Hydrolyzes Medium and Long Chain Fatty Acyl Lysine Acs Chem.Biol., 2011
7T1D	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 2024-04-03 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
6NR0	SIRT2(56-356) with covalent intermediate between mechanism-based inhibitor Glucose-TM-1beta and 1'-SH ADP-ribose 分子名称: GLYCEROL, NAD-dependent protein deacetylase sirtuin-2, N~2~-[3-(2-hydroxyethoxy)propanoyl]-N-phenyl-N~6~-tetradecanethioyl-L-lysinamide, ... 著者 Price, I.R, Hong, J. 登録日 2019-01-22 公開日 2020-01-22 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 A Glycoconjugated SIRT2 Inhibitor with Aqueous Solubility Allows Structure-Based Design of SIRT2 Inhibitors. Acs Chem.Biol., 14, 2019
8TGP	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
7X3P	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
5X16	Sirt6 apo structure 分子名称: GLYCEROL, NAD-dependent protein deacetylase sirtuin-6, TERTIARY-BUTYL ALCOHOL, ... 著者 Zhang, J, Huang, Z, Song, K. 登録日 2017-01-24 公開日 2018-07-04 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Sirt6 apo structure To Be Published
6HOY	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
8V2N	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
8V15	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
6XV6	Human Sirt6 3-318 in complex with ADP-ribose 分子名称: GLYCEROL, NAD-dependent protein deacetylase sirtuin-6, NICOTINAMIDE, ... 著者 You, W, Steegborn, C. 登録日 2020-01-21 公開日 2020-10-28 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Binding site for activator MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
4F4U	The bicyclic intermediate structure provides insights into the desuccinylation mechanism of SIRT5 分子名称: NAD-dependent lysine demalonylase and desuccinylase sirtuin-5, mitochondrial, ZINC ION, ... 著者 Zhou, Y, Hao, Q. 登録日 2012-05-11 公開日 2012-06-20 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The Bicyclic Intermediate Structure Provides Insights into the Desuccinylation Mechanism of Human Sirtuin 5 (SIRT5) J.Biol.Chem., 287, 2012
6XVG	Human Sirt6 3-318 in complex with ADP-ribose and the activator MDL-801 分子名称: 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, ... 著者 You, W, Steegborn, C. 登録日 2020-01-22 公開日 2020-10-28 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Binding site for activator MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
4F56	The bicyclic intermediate structure provides insights into the desuccinylation mechanism of SIRT5 分子名称: 3-[(2R,3aR,5R,6R,6aR)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2,6-dihydroxytetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]propanoic acid, NAD-dependent lysine demalonylase and desuccinylase sirtuin-5, mitochondrial, ... 著者 Zhou, Y, Hao, Q. 登録日 2012-05-11 公開日 2012-06-20 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 The Bicyclic Intermediate Structure Provides Insights into the Desuccinylation Mechanism of Human Sirtuin 5 (SIRT5) J.Biol.Chem., 287, 2012
6XV1	Human Sirt6 13-308 in complex with ADP-ribose and the activator MDL-801 分子名称: 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, ... 著者 You, W, Steegborn, C. 登録日 2020-01-21 公開日 2020-10-28 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Binding site for activator MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
6ISO	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
6XUY	Human Sirt6 13-308 in complex with ADP-ribose 分子名称: NAD-dependent protein deacetylase sirtuin-6, SULFATE ION, TRIETHYLENE GLYCOL, ... 著者 You, W, Steegborn, C. 登録日 2020-01-21 公開日 2020-10-28 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.13 Å) 主引用文献 Binding site for activator MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
3D4B	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	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
8CNM	Human Sirt6 in complex with the inhibitor S6020 and ADP-ribose 分子名称: 1,2-ETHANEDIOL, 4-azanyl-~{N}-(4-oxidanylcyclohexyl)benzenesulfonamide, CHLORIDE ION, ... 著者 You, W, Steegborn, C. 登録日 2023-02-23 公開日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
5FYQ	Sirt2 in complex with a 13-mer trifluoroacetylated Ran peptide 分子名称: NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-2, RAN AA 31-43, SULFATE ION, ... 著者 Knyphausen, P, de Boor, S, Scislowski, L, Extra, A, Baldus, L, Schacherl, M, Baumann, U, Neundorf, I, Lammers, M. 登録日 2016-03-09 公開日 2016-05-25 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Insights Into Lysine-Deacetylation of Natively Folded Substrate Proteins by Sirtuins. J.Biol.Chem., 291, 2016
8BL1	Human Sirt6 in complex with the inhibitor S6039 and ADP-ribose 分子名称: 2-azanyl-5-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonyl-benzenesulfonamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... 著者 You, W, Steegborn, C. 登録日 2022-11-09 公開日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published
8CNO	Improved complex structure of human Sirtuin 6 with its inhibitor cis-resveratrol 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... 著者 You, W, Steegborn, C. 登録日 2023-02-23 公開日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen To Be Published

 

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