5Y3N
| Structure of TRAP1 complexed with DN401 | 分子名称: | 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial | 著者 | Jeong, H, Park, H.K, Kang, S, Kang, B.H, Lee, C. | 登録日 | 2017-07-29 | 公開日 | 2017-08-30 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Paralog Specificity Determines Subcellular Distribution, Action Mechanism, and Anticancer Activity of TRAP1 Inhibitors. J. Med. Chem., 60, 2017
|
|
5Y3O
| Structure of TRAP1 complexed with DN320 | 分子名称: | 4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial | 著者 | Jeong, H, Park, H.K, Kang, S, Kang, B.H, Lee, C. | 登録日 | 2017-07-29 | 公開日 | 2017-08-30 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Paralog Specificity Determines Subcellular Distribution, Action Mechanism, and Anticancer Activity of TRAP1 Inhibitors. J. Med. Chem., 60, 2017
|
|
5YSO
| Crystal structure of Estrogen Related Receptor-3 (ERR-gamma) ligand binding domain with DN200434 | 分子名称: | 4-[5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol, Estrogen-related receptor gamma | 著者 | Cho, S.J, Chin, J.W, Yoon, H.S, Jeon, Y.H, Bae, J.H, Song, J.Y. | 登録日 | 2017-11-14 | 公開日 | 2018-12-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | 主引用文献 | A Novel Orally Active Inverse Agonist of Estrogen-related Receptor Gamma (ERR gamma ), DN200434, A Booster of NIS in Anaplastic Thyroid Cancer. Clin.Cancer Res., 25, 2019
|
|
6A6K
| Crystal structure of Estrogen-related Receptor-3 (ERR-gamma) ligand binding domain with DN201000 | 分子名称: | 3-[(~{E})-5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol, Estrogen-related receptor gamma | 著者 | Yoon, H, Kim, J, Chin, J, Cho, S.J, Song, J. | 登録日 | 2018-06-28 | 公開日 | 2019-04-10 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of Potent, Selective, and Orally Bioavailable Estrogen-Related Receptor-gamma Inverse Agonists To Restore the Sodium Iodide Symporter Function in Anaplastic Thyroid Cancer. J. Med. Chem., 62, 2019
|
|
7BU9
| |
7BQZ
| |
6O7G
| |
4ZZH
| SIRT1/Activator Complex | 分子名称: | (4S)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2H)-carboxamide, NAD-dependent protein deacetylase sirtuin-1, ZINC ION | 著者 | Dai, H. | 登録日 | 2015-05-22 | 公開日 | 2015-07-15 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (3.1001 Å) | 主引用文献 | Crystallographic structure of a small molecule SIRT1 activator-enzyme complex. Nat Commun, 6, 2015
|
|
3DF9
| |
2QSU
| |
2QTG
| Crystal Structure of Arabidopsis thaliana 5'-Methylthioadenosine nucleosidase in complex with 5'-methylthiotubercidin | 分子名称: | 1,2-ETHANEDIOL, 2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, 5'-methylthioadenosine nucleosidase | 著者 | Siu, K.K.W, Howell, P.L. | 登録日 | 2007-08-02 | 公開日 | 2008-04-01 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Molecular determinants of substrate specificity in plant 5'-methylthioadenosine nucleosidases. J.Mol.Biol., 378, 2008
|
|
2QTT
| Crystal Structure of Arabidopsis thaliana 5'-Methylthioadenosine nucleosidase in complex with Formycin A | 分子名称: | (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, 1,2-ETHANEDIOL, 5'-methylthioadenosine nucleosidase, ... | 著者 | Siu, K.K.W, Howell, P.L. | 登録日 | 2007-08-02 | 公開日 | 2008-04-01 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Molecular determinants of substrate specificity in plant 5'-methylthioadenosine nucleosidases. J.Mol.Biol., 378, 2008
|
|
4ZZI
| SIRT1/Activator/Inhibitor Complex | 分子名称: | (3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, 4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide, NAD-dependent protein deacetylase sirtuin-1, ... | 著者 | Dai, H. | 登録日 | 2015-05-22 | 公開日 | 2015-07-15 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.7346 Å) | 主引用文献 | Crystallographic structure of a small molecule SIRT1 activator-enzyme complex. Nat Commun, 6, 2015
|
|
4ZZJ
| SIRT1/Activator/Substrate Complex | 分子名称: | (3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, Ac-p53, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Dai, H. | 登録日 | 2015-05-22 | 公開日 | 2015-07-15 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.7403 Å) | 主引用文献 | Crystallographic structure of a small molecule SIRT1 activator-enzyme complex. Nat Commun, 6, 2015
|
|
4WKC
| Crystal structure of Escherichia coli 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with butylthio-DADMe-Immucillin-A | 分子名称: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, TETRAETHYLENE GLYCOL | 著者 | Cameron, S.A, Thomas, K, Almo, S.C, Schramm, V.L. | 登録日 | 2014-10-02 | 公開日 | 2015-08-19 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Active site and remote contributions to catalysis in methylthioadenosine nucleosidases. Biochemistry, 54, 2015
|
|
4YML
| Crystal structure of Escherichia coli 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (3S,4R)-methylthio-DADMe-Immucillin-A | 分子名称: | (3S,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, PHOSPHATE ION | 著者 | Cameron, S.A, Thomas, K, Almo, S.C, Schramm, V.L. | 登録日 | 2015-03-06 | 公開日 | 2015-08-26 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Tight binding enantiomers of pre-clinical drug candidates. Bioorg.Med.Chem., 23, 2015
|
|
3LGS
| |