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

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6QA3	ERK2 mini-fragment binding 分子名称: Mitogen-activated protein kinase 1, PYRAZOLE, SULFATE ION 著者 O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. 登録日 2018-12-18 公開日 2019-06-26 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
6QA1	ERK2 mini-fragment binding 分子名称: Mitogen-activated protein kinase 1, SULFATE ION, pyridin-2-amine 著者 O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. 登録日 2018-12-18 公開日 2019-06-26 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
2RG6	Phenylalanine pyrrolotriazine p38 alpha map kinase inhibitor compound 11J 分子名称: 4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14 著者 Sack, J.S. 登録日 2007-10-02 公開日 2008-01-15 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Design, Synthesis, and Anti-inflammatory Properties of Orally Active 4-(Phenylamino)-pyrrolo[2,1-f][1,2,4]triazine p38alpha Mitogen-Activated Protein Kinase Inhibitors J.Med.Chem., 51, 2008
4FV2	Crystal Structure of the ERK2 complexed with EK5 分子名称: 1,2-ETHANEDIOL, 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1H-pyrrole-2-carboxamide, GLYCEROL, ... 著者 Kang, Y.N, Stuckey, J.A, Xie, X. 登録日 2012-06-29 公開日 2012-08-29 最終更新日 2014-09-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal Structure of the ERK2 complexed with EK5 TO BE PUBLISHED
6QAG	ERK2 mini-fragment binding 分子名称: 1~{H}-1,2,3-triazole, Mitogen-activated protein kinase 1, SULFATE ION 著者 O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. 登録日 2018-12-19 公開日 2019-03-27 最終更新日 2019-05-22 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
7U9Y	WDR5 bound to 2-(3,5-dimethoxybenzyl)-7-((2-methyl-1H-imidazol-1-yl)methyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-3,4-dihydroisoquinolin-1(2H)-one 分子名称: (5P)-2-[(3,5-dimethoxyphenyl)methyl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3,4-dihydroisoquinolin-1(2H)-one, BENZAMIDINE, WD repeat-containing protein 5 著者 Rietz, T. 登録日 2022-03-11 公開日 2022-04-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization. J.Med.Chem., 65, 2022
6QA4	ERK2 mini-fragment binding 分子名称: 1~{H}-pyridin-2-one, Mitogen-activated protein kinase 1, SULFATE ION 著者 O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. 登録日 2018-12-18 公開日 2019-06-26 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
4FV5	Crystal Structure of the ERK2 complexed with EK9 分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, N-[(1S)-2-hydroxy-1-phenylethyl]-4-(5-methyl-2-phenylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide, ... 著者 Kang, Y.N, Stuckey, J.A, Xie, X. 登録日 2012-06-29 公開日 2012-08-29 最終更新日 2014-09-24 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal Structure of the ERK2 complexed with EK9 TO BE PUBLISHED
6QAL	ERK2 mini-fragment binding 分子名称: 1,1-bis(oxidanylidene)thietan-3-ol, Mitogen-activated protein kinase 1, SULFATE ION 著者 O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. 登録日 2018-12-19 公開日 2019-03-27 最終更新日 2019-05-22 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
6QAW	ERK2 mini-fragment binding 分子名称: Mitogen-activated protein kinase 1, SULFATE ION, [1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium 著者 O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. 登録日 2018-12-19 公開日 2019-03-27 最終更新日 2019-05-22 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
4FV8	Crystal Structure of the ERK2 complexed with E63 分子名称: 1,2-ETHANEDIOL, 6-({4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-5-(phenylamino)pyrimidin-2-yl}amino)-1,2-dihydro-3H-indazol-3-one, Mitogen-activated protein kinase 1, ... 著者 Kang, Y.N, Stuckey, J.A, Xie, X. 登録日 2012-06-29 公開日 2012-08-29 最終更新日 2014-09-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal Structure of the ERK2 complexed with E63 TO BE PUBLISHED
6QAQ	ERK2 mini-fragment binding 分子名称: Mitogen-activated protein kinase 1, SULFATE ION, thiophen-3-ylmethylazanium 著者 O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. 登録日 2018-12-19 公開日 2019-03-27 最終更新日 2019-05-22 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
4FV0	Crystal Structure of the ERK2 complexed with EK3 分子名称: 1,2-ETHANEDIOL, GLYCEROL, Mitogen-activated protein kinase 1, ... 著者 Kang, Y.N, Stuckey, J.A, Xie, X. 登録日 2012-06-28 公開日 2012-08-22 最終更新日 2014-09-24 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal Structure of the ERK2 complexed with EK3 TO BE PUBLISHED
6Q7S	ERK2 mini-fragment binding 分子名称: Mitogen-activated protein kinase 1, PHENOL, SULFATE ION 著者 O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. 登録日 2018-12-13 公開日 2019-06-26 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
3HV4	Human p38 MAP Kinase in Complex with RL51 分子名称: 1-{3-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ... 著者 Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. 登録日 2009-06-15 公開日 2009-11-17 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Displacement assay for the detection of stabilizers of inactive kinase conformations. J.Med.Chem., 53, 2010
5VQP	Crystal structure of human pro-TGF-beta1 分子名称: Transforming growth factor beta-1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose 著者 Zhao, B, Xu, S, Dong, X, Lu, C, Springer, T.A. 登録日 2017-05-09 公開日 2017-11-15 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Prodomain-growth factor swapping in the structure of pro-TGF-beta 1. J. Biol. Chem., 293, 2018
6K3A	Crystal structure of human PCNA in complex with DNMT1 PIP box motif. 分子名称: Peptide from DNA (cytosine-5)-methyltransferase 1, Proliferating cell nuclear antigen 著者 Jimenji, T, Kori, S, Arita, K. 登録日 2019-05-17 公開日 2019-06-26 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure of PCNA in complex with DNMT1 PIP box reveals the basis for the molecular mechanism of the interaction. Biochem.Biophys.Res.Commun., 516, 2019
4FV3	Crystal Structure of the ERK2 complexed with EK6 分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... 著者 Kang, Y.N, Stuckey, J.A, Xie, X. 登録日 2012-06-29 公開日 2012-08-29 最終更新日 2014-09-24 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal Structure of the ERK2 complexed with EK6 TO BE PUBLISHED
8W9A	CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-7909 binding at an allosteric site 分子名称: 6-chloranyl-3-[[(1R)-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 著者 Huang, X, Ren, X, Zhong, W. 登録日 2023-09-05 公開日 2024-04-17 最終更新日 2024-07-24 実験手法 ELECTRON MICROSCOPY (2.7 Å) 主引用文献 Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop. Structure, 32, 2024
1M3H	Crystal Structure of Hogg1 D268E Mutant with Product Oligonucleotide 分子名称: 5'-D(P*GP*CP*GP*TP*CP*CP*AP*(DDX))-3', 5'-D(P*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', 5'-D(P*GP*TP*CP*TP*AP*CP*C)-3', ... 著者 Chung, S.J, Verdine, G.L. 登録日 2002-06-27 公開日 2004-04-20 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Structures of End Products Resulting from Lesion Processing by a DNA Glycosylase/Lyase Chem.Biol., 11, 2004
4FV6	Crystal Structure of the ERK2 complexed with E57 分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(2-{[(2S)-1-hydroxybutan-2-yl]amino}-5-methylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide, ... 著者 Kang, Y.N, Stuckey, J.A, Xie, X. 登録日 2012-06-29 公開日 2012-08-29 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Crystal Structure of the ERK2 complexed with E57 TO BE PUBLISHED
4FUX	Crystal Structure of the ERK2 complexed with E75 分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... 著者 Kang, Y.N, Stuckey, J.A, Xie, X. 登録日 2012-06-28 公開日 2012-08-22 最終更新日 2014-09-24 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal Structure of the ERK2 complexed with E75 TO BE PUBLISHED
4G6O	Crystal Structure of the ERK2 分子名称: 1,2-ETHANEDIOL, 4-{4-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1H-pyrrole-2-carboxamide, Mitogen-activated protein kinase 1, ... 著者 Kang, Y.N, Stuckey, J.A, Xie, X. 登録日 2012-07-19 公開日 2012-09-19 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal Structure of the ERK2 complexed with E28 to be published
8G3C	Crystal structure of human WDR5 in complex with N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide (compound 1, WDR5-MYC PPI inhibitor) 分子名称: N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide, WD repeat-containing protein 5 著者 Zhao, M. 登録日 2023-02-07 公開日 2023-06-28 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction. J.Med.Chem., 66, 2023
8G3E	Crystal structure of human WDR5 in complex with (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide (compound 2, WDR5-MYC inhibitor) 分子名称: (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide, WD repeat-containing protein 5 著者 Zhao, M. 登録日 2023-02-07 公開日 2023-06-28 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.33 Å) 主引用文献 Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction. J.Med.Chem., 66, 2023

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