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7K28
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BU of 7k28 by Molmil
Kelch domain of human KEAP1 bound to Nrf2 peptide, ADEETGEFL
分子名称: Kelch-like ECH-associated protein 1, Nrf2 peptide,ADEETGEFL
著者Muellers, S.N, Allen, K.N.
登録日2020-09-08
公開日2021-04-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献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
7K2I
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BU of 7k2i by Molmil
Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[GAPETGE]
分子名称: Kelch-like ECH-associated protein 1, Nrf2 cyclic peptide,c[GAPETGE]
著者Muellers, S.N, Allen, K.N.
登録日2020-09-08
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献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
7K2N
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BU of 7k2n by Molmil
Kelch domain of human KEAP1 bound to Nrf2-based cyclic peptide, c[BAL-DEETGE]
分子名称: (BAL)DPETGE, Kelch-like ECH-associated protein 1, SULFATE ION
著者Muellers, S.N, Allen, K.N.
登録日2020-09-08
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献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
7K2G
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BU of 7k2g by Molmil
Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[GDEEAGE]
分子名称: GLY-ASP-GLU-GLU-ALA-GLY-GLU, Kelch-like ECH-associated protein 1
著者Muellers, S.N, Allen, K.N.
登録日2020-09-08
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献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
7K2S
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BU of 7k2s by Molmil
Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[DhA-GDPETGE]
分子名称: B3A-ASP-PRO-GLU-THR-GLY-GLU, Kelch-like ECH-associated protein 1
著者Muellers, S.N, Allen, K.N.
登録日2020-09-08
公開日2021-04-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献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
7K2C
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BU of 7k2c by Molmil
Kelch domain of human KEAP1 bound to Nrf2 peptide, ADEETGEAA
分子名称: Kelch-like ECH-associated protein 1, Nrf2 peptide,ADEETGEAA, SULFATE ION
著者Muellers, S.N, Allen, K.N.
登録日2020-09-08
公開日2021-04-07
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献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
7K2D
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BU of 7k2d by Molmil
Kelch domain of human KEAP1 bound to Nrf2 linear peptide, Ac-GDEETGE-NH2
分子名称: Kelch-like ECH-associated protein 1, Nrf2 linear peptide, Ace-GDEETGE-NH2
著者Muellers, S.N, Allen, K.N.
登録日2020-09-08
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献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
7K2Q
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BU of 7k2q by Molmil
Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[Ahx-DPETGE]
分子名称: ACA-ASP-PRO-GLU-THR-GLY-GLU, Kelch-like ECH-associated protein 1
著者Muellers, S.N, Allen, K.N.
登録日2020-09-08
公開日2021-04-07
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献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
7K2P
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BU of 7k2p by Molmil
Kelch domain of human KEAP1 bound to Nrf2-based cyclic peptide, c[AVA-DPETGE]
分子名称: (DAV)DPETGE, Kelch-like ECH-associated protein 1
著者Muellers, S.N, Allen, K.N.
登録日2020-09-08
公開日2021-04-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献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
7K29
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BU of 7k29 by Molmil
Kelch domain of human KEAP1 bound to Nrf2 peptide, LDEETGEAL
分子名称: ACE-LEU-ASP-GLU-GLU-THR-GLY-GLU-ALA-LEU-NH2, Kelch-like ECH-associated protein 1, SULFATE ION
著者Muellers, S.N, Allen, K.N.
登録日2020-09-08
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
7K2L
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BU of 7k2l by Molmil
Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[BAL-NPETGE]
分子名称: Kelch-like ECH-associated protein 1, Nrf2 cyclic peptide,c[BAL-NPETGE]
著者Muellers, S.N, Allen, K.N.
登録日2020-09-08
公開日2021-04-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献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
7K2F
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BU of 7k2f by Molmil
Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[GAEETGE]
分子名称: Kelch-like ECH-associated protein 1, Nrf2 cyclic peptide,c[GAEETGE]
著者Muellers, S.N, Allen, K.N.
登録日2020-09-08
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献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
7K2R
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BU of 7k2r by Molmil
Kelch domain of human KEAP1 bound to Nrf2-based cyclic peptide, c[LhA-DEETGE]
分子名称: B3A-ASP-PRO-GLU-THR-GLY-GLU, Kelch-like ECH-associated protein 1, SULFATE ION
著者Muellers, S.N, Allen, K.N.
登録日2020-09-08
公開日2021-04-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
6C71
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BU of 6c71 by Molmil
Nicotine Oxidoreductase in Complex with S-nicotine
分子名称: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Tararina, M.A, Allen, K.N.
登録日2018-01-19
公開日2018-07-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.649 Å)
主引用文献Crystallography Coupled with Kinetic Analysis Provides Mechanistic Underpinnings of a Nicotine-Degrading Enzyme.
Biochemistry, 57, 2018
5WHL
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BU of 5whl by Molmil
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
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BU of 5wiy by Molmil
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
5WG1
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BU of 5wg1 by Molmil
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
5WFV
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BU of 5wfv by Molmil
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
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BU of 5who by Molmil
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
5WFL
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BU of 5wfl by Molmil
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
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