PDB: 207 件ウェブページステータス検索Chemie searchBIRD

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7XM2	Crystal structure of Keap1 Kelch domain (residues 322-609) in complex with NXPZ-2 分子名称: 2-[(4-aminophenyl)sulfonyl-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]amino]ethanamide, Kelch-like ECH-associated protein 1 著者 Xu, K. 登録日 2022-04-24 公開日 2022-07-06 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystallography-Guided Optimizations of the Keap1-Nrf2 Inhibitors on the Solvent Exposed Region: From Symmetric to Asymmetric Naphthalenesulfonamides. J.Med.Chem., 65, 2022
8XGV	Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction (PPI) Inhibitors 分子名称: (2~{R},3~{S})-3-[[(2~{S})-2-[4-[(3-ethoxypyridin-2-yl)methyl]phenyl]-2-fluoranyl-ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ... 著者 Otake, K, Hara, Y, Ubukata, M, Inoue, M, Nagahashi, N, Motoda, D, Ogawa, N, Hantani, Y, Hantani, R, Adachi, T, Nomura, A, Yamaguchi, K, Maekawa, M, Mamada, H, Motomura, T, Sato, M, Harada, K. 登録日 2023-12-15 公開日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Inhibitors. J.Med.Chem., 67, 2024
5WHL	Kelch domain of human Keap1 bound to inhibitory small molecule fragment: hydroxyphenyl propionic acid 分子名称: HYDROXYPHENYL PROPIONIC ACID, Kelch-like ECH-associated protein 1, SULFATE ION 著者 Carolan, J.P, Lynch, A.J, Allen, K.N. 登録日 2017-07-17 公開日 2018-09-19 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2). Biochemistry, 59, 2020
5WIY	Kelch domain of human Keap1 bound to small molecule inhibitor fragment: 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione 分子名称: 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione, Kelch-like ECH-associated protein 1, SULFATE ION 著者 Carolan, J.P, Lynch, A.J, Allen, K.N. 登録日 2017-07-20 公開日 2018-09-26 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2). Biochemistry, 59, 2020
4ZY3	Crystal Structure of Keap1 in Complex with a small chemical compound, K67 分子名称: FORMIC ACID, Kelch-like ECH-associated protein 1, N,N'-[2-(2-oxopropyl)naphthalene-1,4-diyl]bis(4-ethoxybenzenesulfonamide) 著者 Fukutomi, T, Iso, T, Suzuki, T, Takagi, K, Mizushima, T, Komatsu, M, Yamamoto, M. 登録日 2015-05-21 公開日 2016-05-25 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 p62/Sqstm1 promotes malignancy of HCV-positive hepatocellular carcinoma through Nrf2-dependent metabolic reprogramming Nat Commun, 7, 2016
7XOT	Crystal structure of Keap1_6k 分子名称: 2-[[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]-[4-(2-diethoxyphosphorylethanoylamino)phenyl]sulfonyl-amino]ethanamide, Kelch-like ECH-associated protein 1 著者 Xu, K. 登録日 2022-05-01 公開日 2023-05-03 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Crystal structure of Keap1_6k To Be Published
2XN4	Crystal structure of the kelch domain of human KLHL2 (Mayven) 分子名称: 1,2-ETHANEDIOL, KELCH-LIKE PROTEIN 2, SODIUM ION, ... 著者 Canning, P, Hozjan, V, Cooper, C.D.O, Ayinampudi, V, Vollmar, M, Pike, A.C.W, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. 登録日 2010-07-30 公開日 2010-08-18 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Structural Basis for Cul3 Assembly with the Btb-Kelch Family of E3 Ubiquitin Ligases. J.Biol.Chem., 288, 2013
7YEN	Crystal structure of the Keap1 Kelch domain in complex with Caffeic acid 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAFFEIC ACID, CALCIUM ION, ... 著者 Wang, C, Jiang, L. 登録日 2022-07-06 公開日 2023-07-12 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structure of the Keap1 Kelch domain complexed with Caffeic acid To Be Published
8X34	Human Kelch like-ECH Associated Protein 1 (Keap1) 分子名称: Kelch-like ECH-associated protein 1 著者 Yilmaz, M, Gul, M, DeMirci, H. 登録日 2023-11-11 公開日 2023-11-22 最終更新日 2024-07-17 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Human KEAP1 Kelch domain at ambient temperature To Be Published
5WFL	Kelch domain of human Keap1 in open unliganded conformation 分子名称: Kelch-like ECH-associated protein 1, SULFATE ION 著者 Carolan, J.P, Lynch, A.J, Allen, K.N. 登録日 2017-07-12 公開日 2018-09-19 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2). Biochemistry, 59, 2020
5WG1	Kelch domain of human Keap1 bound to mutant Nrf2 EAGE peptide 分子名称: Kelch-like ECH-associated protein 1, Nrf2 EAGE mutant peptide, SULFATE ION 著者 Carolan, J.P, Lynch, A.J, Allen, K.N. 登録日 2017-07-13 公開日 2018-09-19 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.021 Å) 主引用文献 Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2). Biochemistry, 59, 2020
3ADE	Crystal Structure of Keap1 in Complex with Sequestosome-1/p62 分子名称: Kelch-like ECH-associated protein 1, SULFATE ION, Sequestosome-1 著者 Kurokawa, H, Yamamoto, M. 登録日 2010-01-19 公開日 2010-03-16 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 The selective autophagy substrate p62 activates the stress responsive transcription factor Nrf2 through inactivation of Keap1 Nat.Cell Biol., 12, 2010
2Z32	Crystal structure of Keap1 complexed with Prothymosin alpha 分子名称: Kelch-like ECH-associated protein 1, Prothymosin alpha, SULFATE ION 著者 Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) 登録日 2007-05-31 公開日 2008-03-11 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural analysis of the complex of Keap1 with a prothymosin alpha peptide Acta Crystallogr.,Sect.F, 64, 2008
5WFV	Kelch domain of human Keap1 bound to Nrf2 ETGE peptide 分子名称: Kelch-like ECH-associated protein 1, Nrf2 ETGE peptide, SULFATE ION 著者 Carolan, J.P, Lynch, A.J, Allen, K.N. 登録日 2017-07-12 公開日 2018-09-19 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2). Biochemistry, 59, 2020
5WHO	Kelch domain of human Keap1 bound to small molecule inhibitor fragment: 4-oxo-4H-1-benzopyran-2-carboxylic acid 分子名称: 4-oxo-4H-1-benzopyran-2-carboxylic acid, Kelch-like ECH-associated protein 1, SULFATE ION 著者 Carolan, J.P, Lynch, A.J, Allen, K.N. 登録日 2017-07-17 公開日 2018-09-19 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2). Biochemistry, 59, 2020
8Q1R	mouse Keap1 in complex with stapled peptide 分子名称: Kelch-like ECH-associated protein 1, SODIUM ION, SULFATE ION, ... 著者 Kack, H, Wissler, L. 登録日 2023-08-01 公開日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.33 Å) 主引用文献 A cell-active cyclic peptide targeting the Nrf2/Keap1 protein-protein interaction. Chem Sci, 14, 2023
8Q1Q	mouse Keap1 in complex with stapled peptide 分子名称: Kelch-like ECH-associated protein 1, SULFATE ION, Stapled peptide, ... 著者 Kack, H, Wissler, L. 登録日 2023-08-01 公開日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.378 Å) 主引用文献 A cell-active cyclic peptide targeting the Nrf2/Keap1 protein-protein interaction. Chem Sci, 14, 2023
8IN0	Structure of the Keap1 Kelch domain in complex with PGAM5-derived peptide 分子名称: Kelch-like ECH-associated protein 1, PGAM5 12-mer peptide, SULFATE ION 著者 Jiang, L, Wang, C. 登録日 2023-03-08 公開日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure of the Keap1 Kelch domain in complex with PGAM5-derived peptide To Be Published
8PKS	Low resolution crystal structure of Keap1-456, a repeat fragment from the human Keap1 beta-propeller 分子名称: Kelch-like ECH-associated protein 1 著者 Wouters, S.M.L. 登録日 2023-06-27 公開日 2024-07-10 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Fragment-based assembly of a symmetric protein scaffold To Be Published
8IXS	Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1/Nrf2 PPI Inhibitor for Treatment of Chronic Kidney Disease 分子名称: (2R,3S)-3-[[(2S)-2-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid, Kelch-like ECH-associated protein 1, SULFATE ION 著者 Nomura, A, Yamaguchi, K, Adachi, T. 登録日 2023-04-03 公開日 2023-06-14 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1-Nrf2 PPI Inhibitor. Acs Med.Chem.Lett., 14, 2023
8IVR	Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1/Nrf2 PPI Inhibitor for Treatment of Chronic Kidney Disease 分子名称: (2R,3S)-2-methyl-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid, Kelch-like ECH-associated protein 1, SULFATE ION 著者 Nomura, A, Yamaguchi, K, Adachi, T. 登録日 2023-03-28 公開日 2023-06-14 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1-Nrf2 PPI Inhibitor. Acs Med.Chem.Lett., 14, 2023
8IVG	Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1/Nrf2 PPI Inhibitor for Treatment of Chronic Kidney Disease 分子名称: (3S)-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Kelch-like ECH-associated protein 1, ... 著者 Otake, K, Ubukata, M, Nagahashi, N, Ogawa, N, Hantani, Y, Hantani, R, Adachi, T, Nomura, A, Yamaguchi, K, Maekawa, M, Mamada, H, Motomura, T, Sato, M, Harada, K. 登録日 2023-03-27 公開日 2023-06-14 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1-Nrf2 PPI Inhibitor. Acs Med.Chem.Lett., 14, 2023
8PKW	Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 5 (ortho-WRCDPETaEC). 分子名称: (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ... 著者 Braun, M.B, Bischof, L, Hartmann, M.D. 登録日 2023-06-27 公開日 2023-11-15 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders. J.Chem.Inf.Model., 63, 2023
8PKX	Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 11 (ortho-WRCNPETaEC). 分子名称: (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ... 著者 Braun, M.B, Bischof, L, Hartmann, M.D. 登録日 2023-06-27 公開日 2023-11-15 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders. J.Chem.Inf.Model., 63, 2023
8PKU	Kelch domain of KEAP1 in complex with ortho-dimethylbenzene linked cyclic peptide 3 (ortho-WRCDEETGEC). 分子名称: (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ... 著者 Braun, M.B, Bischof, L, Hartmann, M.D. 登録日 2023-06-27 公開日 2023-11-15 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders. J.Chem.Inf.Model., 63, 2023

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