PDB: 8717 件ウェブページステータス検索Chemie searchBIRD

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8BZ9	single soak stabilizer for ERa - 14-3-3 interaction (AZ354) 分子名称: 14-3-3 protein sigma, 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, ERalpha peptide, ... 著者 Visser, E.J, Sijbesma, E, Ottmann, C. 登録日 2022-12-14 公開日 2023-08-30 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
8BYG	fragment-linked stabilizer for ERa - 14-3-3 interaction (1047648) 分子名称: 14-3-3 protein sigma, ERalpha peptide, ~{N}-[2-[(2-carbamimidoyl-1-benzothiophen-4-yl)-methyl-amino]ethyl]-2-(4-chloranylphenoxy)-~{N},2-dimethyl-propanamide 著者 Visser, E.J, Sijbesma, E, Ottmann, C. 登録日 2022-12-12 公開日 2023-08-30 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
4XJ0	Crystal structure of ERK2 in complex with an inhibitor 14K 分子名称: 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1 著者 Yin, J, Wang, W. 登録日 2015-01-08 公開日 2015-09-16 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.58 Å) 主引用文献 Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2. J.Med.Chem., 58, 2015
8CAF	N8C_Fab3b in complex with NEDD8-CUL1(WHB) 分子名称: Cullin-1, Fab Heavy Chain, Fab Light Chain, ... 著者 Duda, D.M, Yanishevski, D, Henneberg, L.T, Schulman, B.A. 登録日 2023-01-24 公開日 2023-09-13 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (2.66 Å) 主引用文献 Activity-based profiling of cullin-RING E3 networks by conformation-specific probes. Nat.Chem.Biol., 19, 2023
1WBN	fragment based p38 inhibitors 分子名称: MITOGEN-ACTIVATED PROTEIN KINASE 14, N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA 著者 Cleasby, A, Devine, L.A, Gill, A.L, Jhoti, H. 登録日 2004-11-04 公開日 2005-11-03 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation. J.Med.Chem., 48, 2005
1WBW	Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation. 分子名称: 3-(1-NAPHTHYLMETHOXY)PYRIDIN-2-AMINE, MITOGEN-ACTIVATED PROTEIN KINASE 14 著者 Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H. 登録日 2004-11-05 公開日 2005-11-03 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.41 Å) 主引用文献 Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation J.Med.Chem., 48, 2005
1WBV	Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation. 分子名称: 3-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-4-YLBENZAMIDE, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H. 登録日 2004-11-05 公開日 2005-11-03 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation. J.Med.Chem., 48, 2005
6GFX	pVHL:EloB:EloC in complex with modified HIF-1a CODD peptide containing (3R,4S)-3-fluoro-4-hydroxyproline (ligand 13a) 分子名称: Elongin-B, Elongin-C, FLUORINATED HYPOXIA-INDUCIBLE FACTOR 1 ALPHA PEPTIDE, ... 著者 Castro, G.V, Testa, A, Ciulli, A. 登録日 2018-05-02 公開日 2018-07-11 最終更新日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation. J. Am. Chem. Soc., 140, 2018
6GFZ	pVHL:EloB:EloC in complex with modified VH032 containing (3S,4S)-3-fluoro-4-hydroxyproline (ligand 14b) 分子名称: (2~{R},3~{S},4~{S})-1-[(2~{S})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... 著者 Gadd, M.S, Testa, A, Ciulli, A. 登録日 2018-05-02 公開日 2018-07-11 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation. J. Am. Chem. Soc., 140, 2018
3L8X	P38 alpha kinase complexed with a pyrazolo-pyrimidine based inhibitor 分子名称: Mitogen-activated protein kinase 14, N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide 著者 Sack, J.S. 登録日 2010-01-04 公開日 2010-03-02 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Pyrazolo-Pyrimidines: A Novel Heterocyclic Scaffold for Potent and Selective P38 Alpha Inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
3LFC	Human p38 MAP Kinase in Complex with RL99 分子名称: (4-{5-[({4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}carbamoyl)amino]-3-tert-butyl-1H-pyrazol-1-yl}phenyl)acetic acid, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. 登録日 2010-01-16 公開日 2011-04-20 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha To be Published
6GMN	pVHL:EloB:EloC in complex with methyl 4H-furo[3,2-b]pyrrole-5-carboxylate 分子名称: ACETATE ION, Elongin-B, Elongin-C, ... 著者 Van Molle, I, Lucas, X, Ciulli, A. 登録日 2018-05-27 公開日 2018-08-08 最終更新日 2018-09-05 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Surface Probing by Fragment-Based Screening and Computational Methods Identifies Ligandable Pockets on the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase. J. Med. Chem., 61, 2018
5HBJ	CDK8-CYCC IN COMPLEX WITH 8-[2-Amino-3-chloro-5-(1-methyl-1H-indazol-5-yl)-pyridin-4-yl]-2,8-diaza-spiro[4.5]decan-1-one 分子名称: 1,2-ETHANEDIOL, 8-[2-azanyl-3-chloranyl-5-(1-methylindazol-5-yl)pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one, Cyclin-C, ... 著者 Musil, D, Blagg, J, Mallinger, A. 登録日 2015-12-31 公開日 2016-02-03 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19. J.Med.Chem., 59, 2016
3LFF	Human p38 MAP Kinase in Complex with RL166 分子名称: (4-{3-tert-butyl-5-[(1,3-thiazol-2-ylcarbamoyl)amino]-1H-pyrazol-1-yl}phenyl)acetic acid, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. 登録日 2010-01-16 公開日 2011-04-20 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha To be Published
3LFD	Human p38 MAP Kinase in Complex with RL113 分子名称: 1-{4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. 登録日 2010-01-16 公開日 2011-04-20 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (3.4 Å) 主引用文献 Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha To be Published
4ZGG	Crystal structure of a DJ-1 (PARK7) from Homo sapiens at 1.23 A resolution 分子名称: 1,2-ETHANEDIOL, Protein deglycase DJ-1 著者 Joint Center for Structural Genomics (JCSG), Partnership for Nuclear Receptor Signaling Code Biology (NHRS), Partnership for T-Cell Biology (TCELL) 登録日 2015-04-22 公開日 2015-05-20 最終更新日 2023-02-01 実験手法 X-RAY DIFFRACTION (1.23 Å) 主引用文献 Crystal structure of a DJ-1 (PARK7) from Homo sapiens at 1.23 A resolution To be published
6C5X	Crystal Structure of SOCS1 in complex with ElonginB and ElonginC 分子名称: Elongin-B, Elongin-C, GP130 peptide fragment, ... 著者 Kershaw, N.J, Laktyushin, A, Babon, J.J. 登録日 2018-01-17 公開日 2018-05-02 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (3.105 Å) 主引用文献 The molecular basis of JAK/STAT inhibition by SOCS1. Nat Commun, 9, 2018
3MH0	Mutagenesis of p38 MAP Kinase eshtablishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state 分子名称: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. 登録日 2010-04-07 公開日 2010-04-21 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Mutagenesis of p38alpha MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-OUT state. Biochemistry, 46, 2007
5HBH	CDK8-CYCC IN COMPLEX WITH 5-{5-Chloro-4-[1-(2-methoxy-ethyl)-1,8-diaza-spiro[4.5]dec-8-yl]-pyridin-3-yl}-1-methyl-1,3-dihydro-benzo[c]isothiazole 2,2-dioxide 分子名称: 1,2-ETHANEDIOL, 5-[5-chloranyl-4-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]pyridin-3-yl]-1-methyl-3~{H}-2,1-benzothiazole 2,2-dioxide, Cyclin-C, ... 著者 Musil, D, Blagg, J, Mallinger, A. 登録日 2015-12-31 公開日 2016-02-03 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19. J.Med.Chem., 59, 2016
8GFT	Hsp90 provides platform for CRaf dephosphorylation by PP5 分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-beta, ... 著者 Jaime-Garza, M, Nowotny, C.A, Coutandin, D, Wang, F, Tabios, M, Agard, D.A. 登録日 2023-03-08 公開日 2023-05-03 実験手法 ELECTRON MICROSCOPY (3.8 Å) 主引用文献 Hsp90 provides a platform for kinase dephosphorylation by PP5. Nat Commun, 14, 2023
3MGY	Mutagenesis of p38 MAP Kinase eshtablishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state 分子名称: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. 登録日 2010-04-07 公開日 2010-04-21 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Mutagenesis of p38alpha MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-OUT state. Biochemistry, 46, 2007
6BVB	Crystal structure of HIF-2alpha-pVHL-elongin B-elongin C 分子名称: Elongin-B, Elongin-C, Hypoxia-Inducible Factor 2 alpha, ... 著者 Tarade, D, Ohh, M, Lee, J.E. 登録日 2017-12-12 公開日 2018-08-01 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.002 Å) 主引用文献 HIF-2 alpha-pVHL complex reveals broad genotype-phenotype correlations in HIF-2 alpha-driven disease. Nat Commun, 9, 2018
7Y1R	Human L-TGF-beta1 in complex with the anchor protein LRRC33 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Duan, Z, Zhang, Z. 登録日 2022-06-08 公開日 2022-08-31 最終更新日 2022-09-07 実験手法 ELECTRON MICROSCOPY (4.01 Å) 主引用文献 Specificity of TGF-beta 1 signal designated by LRRC33 and integrin alpha V beta 8. Nat Commun, 13, 2022
3K3J	P38alpha bound to novel DFG-out compound PF-00416121 分子名称: 2-(4-fluorophenyl)-3-oxo-6-pyridin-4-yl-N-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 著者 Kazmirski, S.L, DiNitto, J.P. 登録日 2009-10-02 公開日 2009-11-10 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.995 Å) 主引用文献 The Design, Synthesis and Potential Utility of Fluorescence Probes that Target DFG-out Conformation of p38alpha for High Throughput Screening Binding Assay. Chem.Biol.Drug Des., 74, 2009
5HBE	CDK8-CYCC IN COMPLEX WITH 8-[3-Chloro-5-(1-methyl-2,2-dioxo-2, 3-dihydro-1H-2l6-benzo[c]isothiazol-5-yl)-pyridin- 4-yl]-1-oxa-3,8-diaza-spiro[4.5]decan-2-one 分子名称: 1,2-ETHANEDIOL, 8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{H}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one, Cyclin-C, ... 著者 Musil, D, Blagg, J, Mallinger, A. 登録日 2015-12-31 公開日 2016-02-03 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.38 Å) 主引用文献 Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19. J.Med.Chem., 59, 2016

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