8GXP
 
 | | Complex structure of RORgama with betulinic acid | | 分子名称: | Betulinic acid, Nuclear receptor ROR-gamma | | 著者 | Zhang, X.L, Xu, C, Bai, F. | | 登録日 | 2022-09-20 | | 公開日 | 2023-06-07 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Discovery, structural optimization, and anti-tumor bioactivity evaluations of betulinic acid derivatives as a new type of ROR gamma antagonists.
Eur.J.Med.Chem., 257, 2023
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1DM2
 | | HUMAN CYCLIN-DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR HYMENIALDISINE | | 分子名称: | 1,2-ETHANEDIOL, 4-(5-AMINO-4-OXO-4H-PYRAZOL-3-YL)-2-BROMO-4,5,6,7-TETRAHYDRO-3AH-PYRROLO[2,3-C]AZEPIN-8-ONE, CYCLIN-DEPENDENT KINASE 2 | | 著者 | Thunnissen, A.M, Kim, S.-H. | | 登録日 | 1999-12-13 | | 公開日 | 2000-05-31 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Inhibition of cyclin-dependent kinases, GSK-3beta and CK1 by hymenialdisine, a marine sponge constituent.
Chem.Biol., 7, 2000
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1UV5
 | | GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 6-BROMOINDIRUBIN-3'-OXIME | | 分子名称: | 6-BROMOINDIRUBIN-3'-OXIME, CHLORIDE ION, COBALT (II) ION, ... | | 著者 | Dajani, R, Pearl, L.H, Roe, S.M. | | 登録日 | 2004-01-14 | | 公開日 | 2004-01-29 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Gsk-3-Selective Inhibitors Derived from Tyrian Purple Indurubins
Chem.Biol., 10, 2003
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1MFG
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1MFL
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3V65
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6K0R
 | | Ruvbl1-Ruvbl2 with truncated domain II in complex with phosphorylated Cordycepin | | 分子名称: | 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Zhang, W, Chen, L, Li, W, Ju, D, Huang, N, Zhang, E. | | 登録日 | 2019-05-07 | | 公開日 | 2020-05-06 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.502 Å) | | 主引用文献 | Chemical perturbations reveal that RUVBL2 regulates the circadian phase in mammals.
Sci Transl Med, 12, 2020
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8XJJ
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7CR0
 | | human KCNQ2 in apo state | | 分子名称: | Potassium voltage-gated channel subfamily KQT member 2 | | 著者 | Li, X, Lv, D, Wang, J, Ye, S, Guo, J. | | 登録日 | 2020-08-12 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
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7CR3
 | | human KCNQ2-CaM in apo state | | 分子名称: | Calmodulin-3, Potassium voltage-gated channel subfamily KQT member 2 | | 著者 | Li, X, Lv, D, Wang, J, Ye, S, Guo, J. | | 登録日 | 2020-08-12 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
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7CR2
 | | human KCNQ2 in complex with retigabine | | 分子名称: | Potassium voltage-gated channel subfamily KQT member 2, ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate | | 著者 | Li, X, Lv, D, Wang, J, Ye, S, Guo, J. | | 登録日 | 2020-08-12 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
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7CR7
 | | human KCNQ2-CaM in complex with retigabine | | 分子名称: | Calmodulin-3, Potassium voltage-gated channel subfamily KQT member 2, ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate | | 著者 | Li, X, Lv, D, Wang, J, Ye, S, Guo, J. | | 登録日 | 2020-08-12 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
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7CR4
 | | human KCNQ2-CaM in complex with ztz240 | | 分子名称: | Calmodulin-3, N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | | 著者 | Li, X, Lv, D, Wang, J, Ye, S, Guo, J. | | 登録日 | 2020-08-12 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
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7CR1
 | | human KCNQ2 in complex with ztz240 | | 分子名称: | N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | | 著者 | Li, X, Lv, D, Wang, J, Ye, S, Guo, J. | | 登録日 | 2020-08-12 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
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8X43
 | | human KCNQ2-CaM-Ebio1-S1 complex in the presence of PIP2 | | 分子名称: | Calmodulin-1, N-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | | 著者 | Ma, D, Guo, J. | | 登録日 | 2023-11-15 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Nat.Chem.Biol., 20, 2024
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8IJK
 | | human KCNQ2-CaM-Ebio1 complex in the presence of PIP2 | | 分子名称: | Calmodulin-1, N-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | | 著者 | Ma, D, Guo, J. | | 登録日 | 2023-02-27 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Nat.Chem.Biol., 20, 2024
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4W6E
 | | Human Tankyrase 1 with small molecule inhibitor | | 分子名称: | 2-(4-{6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3H)-one, Tankyrase-1, ZINC ION | | 著者 | Kazmirski, S.L, Johannes, J, Boriack-Sjodin, P.A, Howard, T. | | 登録日 | 2014-08-20 | | 公開日 | 2015-05-13 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
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1CKP
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR PURVALANOL B | | 分子名称: | 1,2-ETHANEDIOL, PROTEIN (CYCLIN-DEPENDENT PROTEIN KINASE 2), PURVALANOL B | | 著者 | Gray, N.S, Thunnissen, A.M.W.H, Schultz, P.G, Kim, S.H. | | 登録日 | 1998-07-14 | | 公開日 | 1999-01-13 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Exploiting chemical libraries, structure, and genomics in the search for kinase inhibitors.
Science, 281, 1998
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4W5S
 | | Tankyrase in complex with compound | | 分子名称: | 8-(hydroxymethyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]quinazolin-4(3H)-one, GLYCEROL, Tankyrase-1, ... | | 著者 | Johannes, J, Kazmirski, S.L, Boriack-Sjodin, P.A, Howard, T. | | 登録日 | 2014-08-18 | | 公開日 | 2015-05-13 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
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4YLK
 | | Crystal structure of DYRK1A in complex with 10-Chloro-substituted 11H-indolo[3,2-c]quinolone-6-carboxylic acid inhibitor 5s | | 分子名称: | 1,2-ETHANEDIOL, 10-chloro-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ... | | 著者 | Chaikuad, A, Falke, H, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2015-03-05 | | 公開日 | 2015-03-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | 10-Iodo-11H-indolo[3,2-c]quinoline-6-carboxylic Acids Are Selective Inhibitors of DYRK1A.
J.Med.Chem., 58, 2015
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4YLJ
 | | Crystal structure of DYRK1A in complex with 10-Iodo-substituted 11H-indolo[3,2-c]quinoline-6-carboxylic acid inhibitor 5j | | 分子名称: | 10-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ... | | 著者 | Chaikuad, A, Falke, H, Nowak, R, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2015-03-05 | | 公開日 | 2015-03-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | 10-Iodo-11H-indolo[3,2-c]quinoline-6-carboxylic Acids Are Selective Inhibitors of DYRK1A.
J.Med.Chem., 58, 2015
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4YLL
 | | Crystal structure of DYRK1AA in complex with 10-Bromo-substituted 11H-indolo[3,2-c]quinolone-6-carboxylic acid inhibitor 5t | | 分子名称: | 1,2-ETHANEDIOL, 10-bromo-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ... | | 著者 | Chaikuad, A, Falke, H, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2015-03-05 | | 公開日 | 2015-03-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | 10-Iodo-11H-indolo[3,2-c]quinoline-6-carboxylic Acids Are Selective Inhibitors of DYRK1A.
J.Med.Chem., 58, 2015
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1UNL
 | | Structural mechanism for the inhibition of CD5-p25 from the roscovitine, aloisine and indirubin. | | 分子名称: | CYCLIN-DEPENDENT KINASE 5, CYCLIN-DEPENDENT KINASE 5 ACTIVATOR 1, R-ROSCOVITINE | | 著者 | Mapelli, M, Crovace, C, Massimiliano, L, Musacchio, A. | | 登録日 | 2003-09-10 | | 公開日 | 2004-11-10 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Mechanism of Cdk5/P25 Binding by Cdk Inhibitors
J.Med.Chem., 48, 2005
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1UNG
 | | Structural mechanism for the inhibition of CDK5-p25 by roscovitine, aloisine and indirubin. | | 分子名称: | 6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE, CELL DIVISION PROTEIN KINASE 5, CYCLIN-DEPENDENT KINASE 5 ACTIVATOR 1 | | 著者 | Mapelli, M, Crovace, C, Massimiliano, L, Musacchio, A. | | 登録日 | 2003-09-10 | | 公開日 | 2004-11-10 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Mechanism of Cdk5/P25 Binding by Cdk Inhibitors
J.Med.Chem., 48, 2005
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1UNH
 | | Structural mechanism for the inhibition of CDK5-p25 by roscovitine, aloisine and indirubin. | | 分子名称: | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME, CYCLIN-DEPENDENT KINASE 5, CYCLIN-DEPENDENT KINASE 5 ACTIVATOR 1 | | 著者 | Mapelli, M, Crovace, C, Massimiliano, L, Musacchio, A. | | 登録日 | 2003-09-10 | | 公開日 | 2004-11-10 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Mechanism of Cdk5/P25 Binding by Cdk Inhibitors
J.Med.Chem., 48, 2005
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