1X2R
| Structural basis for the defects of human lung cancer somatic mutations in the repression activity of Keap1 on Nrf2 | Descriptor: | Kelch-like ECH-associated protein 1, Nuclear factor erythroid 2 related factor 2, SULFATE ION | Authors: | Padmanabhan, B, Tong, K.I, Nakamura, Y, Ohta, T, Scharlock, M, Kobayashi, A, Ohtsuji, M, Kang, M.-I, Yamamoto, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-04-26 | Release date: | 2006-03-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for defects of keap1 activity provoked by its point mutations in lung cancer Mol.Cell, 21, 2006
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6V6Z
| Crystal structure of N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl)sulfonyl]amino}naphthalen-1-yl)glycine bound to human Keap1 Kelch domain | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DITHIANE DIOL, FORMIC ACID, ... | Authors: | Lazzara, P.R, David, B.P, Ankireddy, A, Richardson, B.G, Dye, K, Ratia, K.M, Reddy, S.P, Moore, T.W. | Deposit date: | 2019-12-06 | Release date: | 2020-04-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Synthesis and Evaluation of Noncovalent Naphthalene-Based KEAP1-NRF2 Inhibitors. Acs Med.Chem.Lett., 11, 2020
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7ECA
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8EHV
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8EJR
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8EJS
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6FMP
| Keap1 - peptide complex | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ACY-ASP-GLU-GLU-THR-GLY-GLU-PHE, ... | Authors: | Talapatra, S.K, Kozielski, F, Wells, G, Georgakopoulos, N.D. | Deposit date: | 2018-02-01 | Release date: | 2018-08-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Modified Peptide Inhibitors of the Keap1-Nrf2 Protein-Protein Interaction Incorporating Unnatural Amino Acids. Chembiochem, 19, 2018
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1ZGK
| 1.35 angstrom structure of the Kelch domain of Keap1 | Descriptor: | Kelch-like ECH-associated protein 1 | Authors: | Li, X, Bottoms, C.A, Hannink, M, Beamer, L.J. | Deposit date: | 2005-04-21 | Release date: | 2005-10-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Conserved solvent and side-chain interactions in the 1.35 Angstrom structure of the Kelch domain of Keap1. Acta Crystallogr.,Sect.D, 61, 2005
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6FMQ
| Keap1 - peptide complex | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ACY-SC1-GLU-THR-GLY-GLU-LEU, ... | Authors: | Talapatra, S.K, Kozielski, F, Wells, G, Georgakopoulos, N.D. | Deposit date: | 2018-02-02 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Modified Peptide Inhibitors of the Keap1-Nrf2 Protein-Protein Interaction Incorporating Unnatural Amino Acids. Chembiochem, 19, 2018
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6GY5
| Crystal structure of the kelch domain of human KLHL20 in complex with DAPK1 peptide | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Death-associated protein kinase 1, ... | Authors: | Chen, Z, Hozjan, V, Strain-Damerell, C, Williams, E, Wang, D, Cooper, C.D.O, Sanvitale, C.E, Fairhead, M, Carpenter, E.P, Pike, A.C.W, Krojer, T, Srikannathasan, V, Sorrell, F, Johansson, C, Mathea, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2018-06-28 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.086 Å) | Cite: | Structural Basis for Recruitment of DAPK1 to the KLHL20 E3 Ligase. Structure, 27, 2019
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7C5E
| Crystal structure of Keap1 in complex with fumarate (FUM) | Descriptor: | ACETATE ION, FUMARIC ACID, Kelch-like ECH-associated protein 1, ... | Authors: | Padmanabhan, B, Unni, S, Deshmukh, P. | Deposit date: | 2020-05-19 | Release date: | 2020-08-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural insights into the multiple binding modes of Dimethyl Fumarate (DMF) and its analogs to the Kelch domain of Keap1. Febs J., 288, 2021
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7C60
| Crystal structure of Keap1 in complex with monoethyl fumarate (MEF) | Descriptor: | (~{Z})-4-ethoxy-4-oxidanylidene-but-2-enoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ... | Authors: | Padmanabhan, B, Unni, S, Deshmukh, P, Krishnappa, G. | Deposit date: | 2020-05-21 | Release date: | 2020-08-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural insights into the multiple binding modes of Dimethyl Fumarate (DMF) and its analogs to the Kelch domain of Keap1. Febs J., 288, 2021
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5X54
| Crystal structure of the Keap1 Kelch domain in complex with a tetrapeptide | Descriptor: | ACE-GLU-TRP-TRP-TRP, ACETATE ION, Kelch-like ECH-associated protein 1 | Authors: | Sogabe, S, Kadotani, A, Lane, W, Snell, G. | Deposit date: | 2017-02-14 | Release date: | 2017-03-29 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of a Kelch-like ECH-associated protein 1-inhibitory tetrapeptide and its structural characterization Biochem. Biophys. Res. Commun., 486, 2017
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3VNG
| Crystal Structure of Keap1 in Complex with Synthetic Small Molecular based on a co-crystallization | Descriptor: | 2-(3-((3-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)ureido)methyl)phenoxy)acetic acid, Kelch-like ECH-associated protein 1 | Authors: | Kunishima, N, Tanaka, T, Satoh, M, Saburi, H. | Deposit date: | 2012-01-12 | Release date: | 2013-01-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Keap1 in Complex with Synthetic Small Molecular based on a co-crystallization To be Published
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5YQ4
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5CGJ
| Crystal structure of murine Keap1 in complex with RA839, a non-covalent small-molecule binder to Keap1 and selective activator of Nrf2 signalling. | Descriptor: | (3S)-1-(4-{[(2,3,5,6-tetramethylphenyl)sulfonyl]amino}naphthalen-1-yl)pyrrolidine-3-carboxylic acid, Kelch-like ECH-associated protein 1, SULFATE ION | Authors: | Schimanski-Breves, S, Loenze, P, Engel, C.K. | Deposit date: | 2015-07-09 | Release date: | 2015-10-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.36 Å) | Cite: | Characterization of RA839, a Noncovalent Small Molecule Binder to Keap1 and Selective Activator of Nrf2 Signaling. J.Biol.Chem., 290, 2015
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8X34
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8XGV
| Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction (PPI) Inhibitors | Descriptor: | (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, ... | Authors: | 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. | Deposit date: | 2023-12-15 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Inhibitors. J.Med.Chem., 67, 2024
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8XGK
| Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Ihhibitors | Descriptor: | (2~{R},3~{S})-3-[[(2~{S})-2-(4-chlorophenyl)-2-fluoranyl-ethanoyl]amino]-3-[3-(2-cyano-2-methyl-propoxy)-4-methyl-phenyl]-2-methyl-propanoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ... | Authors: | 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. | Deposit date: | 2023-12-15 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Inhibitors. J.Med.Chem., 67, 2024
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3WDZ
| Crystal Structure of Keap1 in Complex with phosphorylated p62 | Descriptor: | Kelch-like ECH-associated protein 1, Peptide from Sequestosome-1 | Authors: | Fukutomi, T, Takagi, K, Mizushima, T, Tanaka, K, Komatsu, M, Yamamoto, M. | Deposit date: | 2013-06-26 | Release date: | 2013-09-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Phosphorylation of p62 activates the Keap1-Nrf2 pathway during selective autophagy. Mol.Cell, 51, 2013
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5YY8
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5WFL
| Kelch domain of human Keap1 in open unliganded conformation | Descriptor: | Kelch-like ECH-associated protein 1, SULFATE ION | Authors: | Carolan, J.P, Lynch, A.J, Allen, K.N. | Deposit date: | 2017-07-12 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | 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
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3WN7
| Crystal Structure of Keap1 in Complex with the N-terminal region of the Nrf2 transcription factor | Descriptor: | ACETATE ION, Kelch-like ECH-associated protein 1, Peptide from Nuclear factor erythroid 2-related factor 2 | Authors: | Fukutomi, T, Takagi, K, Mizushima, T, Ohuchi, N, Yamamoto, M. | Deposit date: | 2013-12-05 | Release date: | 2013-12-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Kinetic, thermodynamic, and structural characterizations of the association between Nrf2-DLGex degron and Keap1 Mol.Cell.Biol., 34, 2014
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3VNH
| Crystal Structure of Keap1 Soaked with Synthetic Small Molecular | Descriptor: | 2-(3-((3-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)ureido)methyl)phenoxy)acetic acid, Kelch-like ECH-associated protein 1 | Authors: | Kunishima, N, Tanaka, T, Satoh, M, Saburi, H. | Deposit date: | 2012-01-12 | Release date: | 2013-01-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Keap1 Soaked with Synthetic Small Molecular To be Published
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7XM5
| Keap1 Kelch domain (residues 322-609) in complex with 6i | Descriptor: | Kelch-like ECH-associated protein 1, N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-morpholin-4-yl-propanamide | Authors: | Xu, K. | Deposit date: | 2022-04-24 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystallography-Guided Optimizations of the Keap1-Nrf2 Inhibitors on the Solvent Exposed Region: From Symmetric to Asymmetric Naphthalenesulfonamides. J.Med.Chem., 65, 2022
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