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

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4BVB	CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THE INHIBITOR EX-527 AND ADP-RIBOSE 分子名称: (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-3, MITOCHONDRIAL, ... 著者 Gertz, M, Weyand, M, Steegborn, C. 登録日 2013-06-25 公開日 2013-07-17 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism Proc.Natl.Acad.Sci.USA, 110, 2013
4C7B	Complex of human Sirt3 with Bromo-Resveratrol and Fluor-De-Lys peptide 分子名称: 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol, GLYCEROL, ISOPROPYL ALCOHOL, ... 著者 Nguyen, G.T.T, Gertz, M, Weyand, M, Steegborn, C. 登録日 2013-09-20 公開日 2013-11-20 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal Structures of Sirt3 Complexes with 4'-Bromo-Resveratrol Reveal Binding Sites and Inhibition Mechanism. Chem.Biol., 20, 2013
4BVH	CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THE INHIBITOR EX-527 AND 2'-O-ACETYL-ADP-RIBOSE 分子名称: (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, 1,2-ETHANEDIOL, 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE, ... 著者 Gertz, M, Weyand, M, Steegborn, C. 登録日 2013-06-25 公開日 2013-07-17 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism Proc.Natl.Acad.Sci.USA, 110, 2013
4BVF	CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THIOALKYLIMIDATE FORMED FROM THIO-ACETYL-LYSINE ACS2-PEPTIDE CRYSTALLIZED IN PRESENCE OF THE INHIBITOR EX-527 分子名称: 1,2-ETHANEDIOL, ACETYL-COENZYME A SYNTHETASE 2-LIKE, MITOCHONDRIAL, ... 著者 Gertz, M, Weyand, M, Steegborn, C. 登録日 2013-06-25 公開日 2013-07-17 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism Proc.Natl.Acad.Sci.USA, 110, 2013
4BUZ	SIR2 COMPLEX STRUCTURE MIXTURE OF EX-527 INHIBITOR AND REACTION PRODUCTS OR OF REACTION SUBSTRATES P53 PEPTIDE AND NAD 分子名称: (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, 1,2-ETHANEDIOL, 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE, ... 著者 Weyand, M, Lakshminarasimhan, M, Gertz, M, Steegborn, C. 登録日 2013-06-24 公開日 2013-07-17 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism Proc.Natl.Acad.Sci.USA, 110, 2013
4BVE	CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THIOALKYLIMIDATE FORMED FROM THIO-ACETYL-LYSINE ACS2-PEPTIDE 分子名称: 1,2-ETHANEDIOL, ACETYL-COENZYME A SYNTHETASE 2-LIKE, MITOCHONDRIAL, ... 著者 Gertz, M, Weyand, M, Steegborn, C. 登録日 2013-06-25 公開日 2013-07-17 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism Proc.Natl.Acad.Sci.USA, 110, 2013
4BN4	Structure of human SIRT3 in complex with ADP-ribose 分子名称: 2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanoic acid, NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-3, MITOCHONDRIAL, ... 著者 Nguyen, G.T.T, Schaefer, S, Gertz, M, Weyand, M, Steegborn, C. 登録日 2013-05-13 公開日 2013-06-26 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 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
4BN5	Structure of human SIRT3 in complex with SRT1720 inhibitor 分子名称: CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLYCEROL, N-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}quinoxaline-2-carboxamide, ... 著者 Nguyen, G.T.T, Schaefer, S, Gertz, M, Weyand, M, Steegborn, C. 登録日 2013-05-13 公開日 2013-06-26 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (3.25 Å) 主引用文献 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
4BV2	CRYSTAL STRUCTURE OF SIR2 IN COMPLEX WITH THE INHIBITOR EX-527, 2'-O-ACETYL-ADP-RIBOSE AND DEACETYLATED P53-PEPTIDE 分子名称: (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE, CELLULAR TUMOR ANTIGEN P53, ... 著者 Gertz, M, Weyand, M, Steegborn, C. 登録日 2013-06-24 公開日 2013-07-17 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism Proc.Natl.Acad.Sci.USA, 110, 2013
4C78	Complex of human Sirt3 with Bromo-Resveratrol and ACS2 peptide 分子名称: 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol, ACETYL-COENZYME A SYNTHETASE 2-LIKE, MITOCHONDRIAL, ... 著者 Nguyen, G.T.T, Gertz, M, Weyand, M, Steegborn, C. 登録日 2013-09-19 公開日 2013-11-20 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal Structures of Sirt3 Complexes with 4'-Bromo-Resveratrol Reveal Binding Sites and Inhibition Mechanism. Chem.Biol., 20, 2013
8AKB	Human Sirt6 in complex with ADP-ribose and fragment 4-nitrocatechol 分子名称: 1,2-ETHANEDIOL, 4-NITROCATECHOL, DI(HYDROXYETHYL)ETHER, ... 著者 You, W, Steegborn, C. 登録日 2022-07-29 公開日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.13 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
8AKA	Human Sirt6 in complex with ADP-ribose and fragment cis-resveratrol 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... 著者 You, W, Steegborn, C. 登録日 2022-07-29 公開日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.77 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
8AK6	Human Sirt6 in complex with ADP-ribose and fragment sulfamethoxazole 分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ... 著者 You, W, Steegborn, C. 登録日 2022-07-29 公開日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.98 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
8AK7	Human Sirt6 in complex with ADP-ribose and fragment 6-O-methylguanine 分子名称: 1,2-ETHANEDIOL, 6-O-methylguanine, CHLORIDE ION, ... 著者 You, W, Steegborn, C. 登録日 2022-07-29 公開日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.81 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
8AKD	Human Sirt6 in complex with ADP-ribose and fragment 1-methyl-L-histidine 分子名称: 4-METHYL-HISTIDINE, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ... 著者 You, W, Steegborn, C. 登録日 2022-07-29 公開日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.76 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
8AKE	Human Sirt6 in complex with ADP-ribose and fragment nicotinamide 分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ... 著者 You, W, Steegborn, C. 登録日 2022-07-29 公開日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.82 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
8AKG	Human Sirt6 in complex with ADP-ribose and fragment 4-amino-6-chlorobenzene-1,3-disulfonamide 分子名称: 1,2-ETHANEDIOL, 4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE, CHLORIDE ION, ... 著者 You, W, Steegborn, C. 登録日 2022-07-29 公開日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.82 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
8AK5	Human Sirt6 in complex with ADP-ribose and fragment pyroglutamic acid 分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ... 著者 You, W, Steegborn, C. 登録日 2022-07-29 公開日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.12 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
8AK8	Human Sirt6 in complex with ADP-ribose and fragment 4-hydroxybenzamide 分子名称: 4-HYDROXYBENZAMIDE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... 著者 You, W, Steegborn, C. 登録日 2022-07-29 公開日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.73 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
8AKC	Human Sirt6 in complex with ADP-ribose and fragment 3-(acetylamino)thiophene-2-carboxylic acid 分子名称: 3-(acetylamino)thiophene-2-carboxylic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... 著者 You, W, Steegborn, C. 登録日 2022-07-29 公開日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.83 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
8AKF	Human Sirt6 in complex with ADP-ribose and fragment 3-aminobenzamide 分子名称: 1,2-ETHANEDIOL, 3-aminobenzamide, CHLORIDE ION, ... 著者 You, W, Steegborn, C. 登録日 2022-07-29 公開日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.97 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
8AK9	Human Sirt6 in complex with ADP-ribose and fragment Isatin 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... 著者 You, W, Steegborn, C. 登録日 2022-07-29 公開日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.95 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
8BL0	Human Sirt6 in complex with the inhibitor S6023 and ADP-ribose 分子名称: 3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonylbenzenesulfonamide, 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 (1.82 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
5Y5N	Crystal structure of human Sirtuin 2 in complex with a selective inhibitor 分子名称: 2-[[3-(2-phenylethoxy)phenyl]amino]benzamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION 著者 Mellini, P, Itoh, Y, Tsumoto, H, Li, Y, Suzuki, M, Tokuda, N, Kakizawa, T, Miura, Y, Takeuchi, J, Lahtela-Kakkonen, M, Suzuki, T. 登録日 2017-08-09 公開日 2017-09-06 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Potent mechanism-based sirtuin-2-selective inhibition by anin situ-generated occupant of the substrate-binding site, "selectivity pocket" and NAD+-binding site. Chem Sci, 8, 2017
5Y0Z	Human SIRT2 in complex with a specific inhibitor, NPD11033 分子名称: (1~{R},9~{S})-11-[(2~{R})-3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-oxidanyl-propyl]-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one, NAD-dependent protein deacetylase sirtuin-2, ZINC ION 著者 Kudo, N, Ito, A, Yoshida, M. 登録日 2017-07-19 公開日 2018-07-25 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Identification of a novel small molecule that inhibits deacetylase but not defatty-acylase reaction catalysed by SIRT2. Philos. Trans. R. Soc. Lond., B, Biol. Sci., 373, 2018

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