6YLK
 
 | | Cdk2(F80C) with Covalent Adduct TK22 at F80C | | 分子名称: | Cyclin-dependent kinase 2, methyl 4-ethyl-1-propanoyl-2,3-dihydroquinoxaline-6-carboxylate | | 著者 | Craven, G, Morgan, R.M.L, Mann, D.J. | | 登録日 | 2020-04-07 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT).
Chembiochem, 21, 2020
|
|
6Y1J
 | |
6Y3V
 | | 14-3-3 Sigma in complex with phosphorylated c-Jun peptide | | 分子名称: | 14-3-3 protein sigma, CALCIUM ION, MAGNESIUM ION, ... | | 著者 | Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C. | | 登録日 | 2020-02-19 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.499 Å) | | 主引用文献 | A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes.
Acta Crystallogr.,Sect.F, 76, 2020
|
|
4EK3
 | |
6Y44
 | | 14-3-3 Sigma in complex with phosphorylated SOS1 peptide | | 分子名称: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C. | | 登録日 | 2020-02-19 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes.
Acta Crystallogr.,Sect.F, 76, 2020
|
|
2QUR
 | | Crystal Structure of F327A/K285P Mutant of cAMP-dependent Protein Kinase | | 分子名称: | 20-mer fragment from cAMP-dependent protein kinase inhibitor alpha, ADENOSINE-5'-DIPHOSPHATE, cAMP-dependent protein kinase, ... | | 著者 | Taylor, S.S, Yang, J, Wu, J. | | 登録日 | 2007-08-06 | | 公開日 | 2008-07-29 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Contribution of non-catalytic core residues to activity and regulation in protein kinase A.
J.Biol.Chem., 284, 2009
|
|
8A7N
 | | Crystal Structure of human Brachyury G177D variant in complex with (S)-N-(3-aminopropyl)-3-((1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl)amino)-N-methylbenzamide (CF-2-125) | | 分子名称: | N-(3-azanylpropyl)-3-[[(3S)-1-(2-fluorophenyl)-2-oxidanylidene-pyrrolidin-3-yl]amino]-N-methyl-benzamide, PHOSPHATE ION, T-box transcription factor T | | 著者 | Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O. | | 登録日 | 2022-06-21 | | 公開日 | 2022-10-05 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal Structure of human Brachyury G177D variant in complex with (S)-N-(3-aminopropyl)-3-((1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl)amino)-N-methylbenzamide (CF-2-125)
To Be Published
|
|
8A10
 | | Crystal Structure of human Brachyury G177D variant in complex with Molpolrt-020-049-143 | | 分子名称: | T-box transcription factor T, UNKNOWN LIGAND | | 著者 | Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O. | | 登録日 | 2022-05-30 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Crystal Structure of human Brachyury G177D variant in complex with Molpolrt-020-049-143
To Be Published
|
|
4EWA
 | | Study on structure and function relationships in human Pirin with Fe ion | | 分子名称: | FE (III) ION, Pirin | | 著者 | Liu, F, Rehmani, I, Chen, L, Fu, R, Serrano, V, Wilson, D.W, Liu, A. | | 登録日 | 2012-04-26 | | 公開日 | 2013-05-29 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Pirin is an iron-dependent redox regulator of NF-kappa B.
Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4ELJ
 | |
6YQ2
 | |
6YPY
 | |
4EZ3
 | | CDK2 in complex with NSC 134199 | | 分子名称: | 1,2-ETHANEDIOL, 4-[(E)-(6-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)diazenyl]benzenesulfonamide, Cyclin-dependent kinase 2 | | 著者 | Alam, R, Martin, M, Zhu, J.-Y, Schonbrunn, E. | | 登録日 | 2012-05-02 | | 公開日 | 2012-08-22 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2.
Chembiochem, 13, 2012
|
|
6YOW
 | |
6YPL
 | |
4F3I
 | | Crystal structure of the first bromodomain of human BRD4 in complex with MS417 inhibitor | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate | | 著者 | Joshua, J, Zhou, M.-M, Plotnikov, A.N. | | 登録日 | 2012-05-09 | | 公開日 | 2012-09-12 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Down-regulation of NF-{kappa}B Transcriptional Activity in HIV-associated Kidney Disease by BRD4 Inhibition.
J.Biol.Chem., 287, 2012
|
|
4EZ7
 | | CDK2 in complex with staurosporine and 2 molecules of 8-anilino-1-naphthalene sulfonic acid | | 分子名称: | 1,2-ETHANEDIOL, 8-ANILINO-1-NAPHTHALENE SULFONATE, Cyclin-dependent kinase 2, ... | | 著者 | Alam, R, Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | 登録日 | 2012-05-02 | | 公開日 | 2012-08-22 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2.
Chembiochem, 13, 2012
|
|
7ZPC
 | | CDK2 in complex 9K-DOS | | 分子名称: | Cyclin-dependent kinase 2, ~{N}-(1-methylpyrazol-4-yl)-5-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxamide | | 著者 | Watt, J.E, Martin, M.P, Noble, M.E.N. | | 登録日 | 2022-04-27 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Build-Couple-Transform: A Paradigm for Lead-like Library Synthesis with Scaffold Diversity.
J.Med.Chem., 65, 2022
|
|
4EZ5
 | | CDK6 (monomeric) in complex with inhibitor | | 分子名称: | Cyclin-dependent kinase 6, {5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl}[2-(isoquinolin-4-yl)pyridin-4-yl]methanone | | 著者 | Chopra, R, Xu, M. | | 登録日 | 2012-05-02 | | 公開日 | 2013-02-06 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors.
ACS Med Chem Lett, 3, 2012
|
|
4F52
 | | Structure of a Glomulin-RBX1-CUL1 complex | | 分子名称: | Cullin-1, E3 ubiquitin-protein ligase RBX1, Glomulin, ... | | 著者 | Duda, D.M, Olszewski, J.L, Schulman, B.A. | | 登録日 | 2012-05-11 | | 公開日 | 2012-09-19 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structure of a Glomulin-RBX1-CUL1 Complex: Inhibition of a RING E3 Ligase through Masking of Its E2-Binding Surface.
Mol.Cell, 47, 2012
|
|
8A62
 | | Small molecule stabilizer (compound 2) for FOXO1 and 14-3-3 | | 分子名称: | (3~{S})-1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide, 14-3-3 protein sigma, Forkhead box protein O1, ... | | 著者 | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | | 登録日 | 2022-06-16 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
|
|
8A6H
 | | Small molecule stabilizer (compound 7) for C-RAF and 14-3-3 | | 分子名称: | 14-3-3 protein sigma, 3-[2-(dimethylamino)ethyldisulfanyl]-1-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propan-1-one, CHLORIDE ION, ... | | 著者 | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | | 登録日 | 2022-06-17 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
|
|
8A65
 | | Small molecule stabilizer (compound 3) for FOXO1 and 14-3-3 | | 分子名称: | (3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide, 14-3-3 protein sigma, Forkhead box protein O1, ... | | 著者 | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | | 登録日 | 2022-06-16 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
|
|
8A68
 | | Small molecule stabilizer (compound 5) for C-RAF(pS259) and 14-3-3 | | 分子名称: | 14-3-3 protein sigma, MAGNESIUM ION, RAF proto-oncogene serine/threonine-protein kinase, ... | | 著者 | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | | 登録日 | 2022-06-16 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
|
|
8A6F
 | | Small molecule stabilizer (compound 8) for C-RAF and 14-3-3 | | 分子名称: | 1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-piperidin-1-yl]-3-[2-(dimethylamino)ethyldisulfanyl]propan-1-one, 14-3-3 protein sigma, CHLORIDE ION, ... | | 著者 | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | | 登録日 | 2022-06-17 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
|
|
