7K28
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![BU of 7k28 by Molmil](/molmil-images/mine/7k28) | Kelch domain of human KEAP1 bound to Nrf2 peptide, ADEETGEFL | Descriptor: | Kelch-like ECH-associated protein 1, Nrf2 peptide,ADEETGEFL | Authors: | Muellers, S.N, Allen, K.N. | Deposit date: | 2020-09-08 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning. J.Am.Chem.Soc., 143, 2021
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7K2K
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![BU of 7k2k by Molmil](/molmil-images/mine/7k2k) | Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[BAL-DEETGE] | Descriptor: | BAL-ASP-GLU-GLU-THR-GLY-GLU, Kelch-like ECH-associated protein 1 | Authors: | Muellers, S.N, Allen, K.N. | Deposit date: | 2020-09-08 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning. J.Am.Chem.Soc., 143, 2021
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7K2G
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![BU of 7k2g by Molmil](/molmil-images/mine/7k2g) | Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[GDEEAGE] | Descriptor: | GLY-ASP-GLU-GLU-ALA-GLY-GLU, Kelch-like ECH-associated protein 1 | Authors: | Muellers, S.N, Allen, K.N. | Deposit date: | 2020-09-08 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning. J.Am.Chem.Soc., 143, 2021
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7K2D
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![BU of 7k2d by Molmil](/molmil-images/mine/7k2d) | Kelch domain of human KEAP1 bound to Nrf2 linear peptide, Ac-GDEETGE-NH2 | Descriptor: | Kelch-like ECH-associated protein 1, Nrf2 linear peptide, Ace-GDEETGE-NH2 | Authors: | Muellers, S.N, Allen, K.N. | Deposit date: | 2020-09-08 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning. J.Am.Chem.Soc., 143, 2021
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7K2S
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![BU of 7k2s by Molmil](/molmil-images/mine/7k2s) | Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[DhA-GDPETGE] | Descriptor: | B3A-ASP-PRO-GLU-THR-GLY-GLU, Kelch-like ECH-associated protein 1 | Authors: | Muellers, S.N, Allen, K.N. | Deposit date: | 2020-09-08 | Release date: | 2021-04-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning. J.Am.Chem.Soc., 143, 2021
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7K2Q
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![BU of 7k2q by Molmil](/molmil-images/mine/7k2q) | Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[Ahx-DPETGE] | Descriptor: | ACA-ASP-PRO-GLU-THR-GLY-GLU, Kelch-like ECH-associated protein 1 | Authors: | Muellers, S.N, Allen, K.N. | Deposit date: | 2020-09-08 | Release date: | 2021-04-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning. J.Am.Chem.Soc., 143, 2021
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7K2C
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![BU of 7k2c by Molmil](/molmil-images/mine/7k2c) | Kelch domain of human KEAP1 bound to Nrf2 peptide, ADEETGEAA | Descriptor: | Kelch-like ECH-associated protein 1, Nrf2 peptide,ADEETGEAA, SULFATE ION | Authors: | Muellers, S.N, Allen, K.N. | Deposit date: | 2020-09-08 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning. J.Am.Chem.Soc., 143, 2021
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7K2P
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![BU of 7k2p by Molmil](/molmil-images/mine/7k2p) | Kelch domain of human KEAP1 bound to Nrf2-based cyclic peptide, c[AVA-DPETGE] | Descriptor: | (DAV)DPETGE, Kelch-like ECH-associated protein 1 | Authors: | Muellers, S.N, Allen, K.N. | Deposit date: | 2020-09-08 | Release date: | 2021-04-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning. J.Am.Chem.Soc., 143, 2021
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7K29
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![BU of 7k29 by Molmil](/molmil-images/mine/7k29) | Kelch domain of human KEAP1 bound to Nrf2 peptide, LDEETGEAL | Descriptor: | ACE-LEU-ASP-GLU-GLU-THR-GLY-GLU-ALA-LEU-NH2, Kelch-like ECH-associated protein 1, SULFATE ION | Authors: | Muellers, S.N, Allen, K.N. | Deposit date: | 2020-09-08 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning. J.Am.Chem.Soc., 143, 2021
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7K2L
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![BU of 7k2l by Molmil](/molmil-images/mine/7k2l) | Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[BAL-NPETGE] | Descriptor: | Kelch-like ECH-associated protein 1, Nrf2 cyclic peptide,c[BAL-NPETGE] | Authors: | Muellers, S.N, Allen, K.N. | Deposit date: | 2020-09-08 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning. J.Am.Chem.Soc., 143, 2021
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7K2F
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![BU of 7k2f by Molmil](/molmil-images/mine/7k2f) | Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[GAEETGE] | Descriptor: | Kelch-like ECH-associated protein 1, Nrf2 cyclic peptide,c[GAEETGE] | Authors: | Muellers, S.N, Allen, K.N. | Deposit date: | 2020-09-08 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning. J.Am.Chem.Soc., 143, 2021
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7K2R
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![BU of 7k2r by Molmil](/molmil-images/mine/7k2r) | Kelch domain of human KEAP1 bound to Nrf2-based cyclic peptide, c[LhA-DEETGE] | Descriptor: | B3A-ASP-PRO-GLU-THR-GLY-GLU, Kelch-like ECH-associated protein 1, SULFATE ION | Authors: | Muellers, S.N, Allen, K.N. | Deposit date: | 2020-09-08 | Release date: | 2021-04-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning. J.Am.Chem.Soc., 143, 2021
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7K2I
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![BU of 7k2i by Molmil](/molmil-images/mine/7k2i) | Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[GAPETGE] | Descriptor: | Kelch-like ECH-associated protein 1, Nrf2 cyclic peptide,c[GAPETGE] | Authors: | Muellers, S.N, Allen, K.N. | Deposit date: | 2020-09-08 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning. J.Am.Chem.Soc., 143, 2021
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6C71
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![BU of 6c71 by Molmil](/molmil-images/mine/6c71) | Nicotine Oxidoreductase in Complex with S-nicotine | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Tararina, M.A, Allen, K.N. | Deposit date: | 2018-01-19 | Release date: | 2018-07-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.649 Å) | Cite: | Crystallography Coupled with Kinetic Analysis Provides Mechanistic Underpinnings of a Nicotine-Degrading Enzyme. Biochemistry, 57, 2018
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5WHL
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![BU of 5whl by Molmil](/molmil-images/mine/5whl) | |
5WIY
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![BU of 5wiy by Molmil](/molmil-images/mine/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 | Descriptor: | 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione, Kelch-like ECH-associated protein 1, SULFATE ION | Authors: | Carolan, J.P, Lynch, A.J, Allen, K.N. | Deposit date: | 2017-07-20 | Release date: | 2018-09-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.23 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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5WG1
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![BU of 5wg1 by Molmil](/molmil-images/mine/5wg1) | Kelch domain of human Keap1 bound to mutant Nrf2 EAGE peptide | Descriptor: | Kelch-like ECH-associated protein 1, Nrf2 EAGE mutant peptide, SULFATE ION | Authors: | Carolan, J.P, Lynch, A.J, Allen, K.N. | Deposit date: | 2017-07-13 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.021 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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5WFV
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![BU of 5wfv by Molmil](/molmil-images/mine/5wfv) | Kelch domain of human Keap1 bound to Nrf2 ETGE peptide | Descriptor: | Kelch-like ECH-associated protein 1, Nrf2 ETGE peptide, 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 (1.91 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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5WHO
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![BU of 5who by Molmil](/molmil-images/mine/5who) | |
5WFL
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![BU of 5wfl by Molmil](/molmil-images/mine/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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