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PDB: 21 results

2FLU
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BU of 2flu by Molmil
Crystal Structure of the Kelch-Neh2 Complex
Descriptor: Kelch-like ECH-associated protein 1, Nrf2
Authors:Li, X, Lo, J, Beamer, L, Hannink, M.
Deposit date:2006-01-06
Release date:2006-08-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the Keap1:Nrf2 interface provides mechanistic insight into Nrf2 signaling.
Embo J., 25, 2006
4IFL
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BU of 4ifl by Molmil
Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes
Descriptor: Nrf2 peptide, kelch-like ECH-associated protein 1
Authors:Pan, H, Lin, M, Yang, Y, Callaway, K, Baker, J, Diep, L, Yan, J, Tanaka, K, Zhu, Y.L, Konradi, A.W, Jobling, M, Tam, D, Ren, Z, Cheung, H, Bova, M, Riley, B.E, Yao, N, Artis, D.R.
Deposit date:2012-12-14
Release date:2013-12-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes
Acta Crystallogr.,Sect.D
8HZ8
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BU of 8hz8 by Molmil
Structure of PPIA in complex with the peptide of NRF2
Descriptor: NRF2 peptide, Peptidyl-prolyl cis-trans isomerase A, N-terminally processed
Authors:Wanyan, W, Hui, M, Jin, H, Lu, W.
Deposit date:2023-01-08
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure of PPIA in complex with the peptide of NRF2
To Be Published
7K2A
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BU of 7k2a by Molmil
Kelch domain of human KEAP1 bound to Nrf2 peptide, LDEETGEFA
Descriptor: ACE-LEU-ASP-GLU-GLU-THR-GLY-GLU-PHE-ALA-NH2, 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 (1.9 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
5WFV
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BU of 5wfv by Molmil
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
7K2K
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BU of 7k2k by Molmil
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
7K2E
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BU of 7k2e by Molmil
Kelch domain of human KEAP1 bound to Nrf2-based cyclic peptide, c[GDEETGE]
Descriptor: GLY-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 (2.03 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
8EJR
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BU of 8ejr by Molmil
Kelch domain of human KEAP1 bound to Nrf2 linear peptide, Ac-GDPETGE-NH2
Descriptor: Kelch-like ECH-associated protein 1, Linear peptide from Nuclear factor erythroid 2-related factor 2
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-18
Release date:2023-09-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:The benefit of cyclization: a comparison of cyclic and linear peptide inhibitors of the KEAP1/Nrf2 protein-protein interaction
To Be Published
7K2C
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BU of 7k2c by Molmil
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
7K28
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BU of 7k28 by Molmil
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
7K29
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BU of 7k29 by Molmil
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
3ZGC
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BU of 3zgc by Molmil
crystal structure of the KEAP1-NEH2 complex
Descriptor: ACETATE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, NUCLEAR FACTOR ERYTHROID 2-RELATED FACTOR 2
Authors:Hoerer, S, Reinert, D, Ostmann, K, Hoevels, Y, Nar, H.
Deposit date:2012-12-17
Release date:2013-06-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal-Contact Engineering to Obtain a Crystal Form of the Kelch Domain of Human Keap1 Suitable for Ligand-Soaking Experiments.
Acta Crystallogr.,Sect.F, 69, 2013
7K2D
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BU of 7k2d by Molmil
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
7X5G
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BU of 7x5g by Molmil
Nrf2 (A510Y)-MafG heterodimer bound with CsMBE2
Descriptor: DNA (5'-D(*CP*AP*CP*AP*GP*TP*GP*AP*CP*TP*CP*AP*GP*CP*AP*G)-3'), DNA (5'-D(*GP*CP*TP*GP*CP*TP*GP*AP*GP*TP*CP*AP*CP*TP*GP*T)-3'), Nuclear factor erythroid 2-related factor 2, ...
Authors:Sengoku, T, Shiina, M, Suzuki, K, Hamada, K, Sato, K, Uchiyama, A, Okada, C, Baba, S, Ohta, T, Motohashi, H, Yamamoto, M, Ogata, K.
Deposit date:2022-03-04
Release date:2022-11-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of transcription regulation by CNC family transcription factor, Nrf2.
Nucleic Acids Res., 50, 2022
7X5E
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BU of 7x5e by Molmil
Nrf2-MafG heterodimer bound with CsMBE1
Descriptor: DNA (5'-D(*CP*AP*TP*GP*AP*TP*GP*AP*GP*TP*CP*AP*GP*CP*AP*A)-3'), DNA (5'-D(*GP*TP*TP*GP*CP*TP*GP*AP*CP*TP*CP*AP*TP*CP*AP*T)-3'), HEXAETHYLENE GLYCOL, ...
Authors:Sengoku, T, Shiina, M, Suzuki, K, Hamada, K, Sato, K, Uchiyama, A, Okada, C, Baba, S, Ohta, T, Motohashi, H, Yamamoto, M, Ogata, K.
Deposit date:2022-03-04
Release date:2022-11-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of transcription regulation by CNC family transcription factor, Nrf2.
Nucleic Acids Res., 50, 2022
7K2B
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BU of 7k2b by Molmil
Kelch domain of human KEAP1 bound to Nrf2 peptide, ADEETGEFA
Descriptor: ACE-ALA-ASP-GLU-GLU-THR-GLY-GLU-PHE-ALA-NH2, 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 (2.31 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
7X5F
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BU of 7x5f by Molmil
Nrf2-MafG heterodimer bound with CsMBE2
Descriptor: Nuclear factor erythroid 2-related factor 2, Synthetic DNA, Transcription factor MafG
Authors:Sengoku, T, Shiina, M, Suzuki, K, Hamada, K, Sato, K, Uchiyama, A, Okada, C, Baba, S, Ohta, T, Motohashi, H, Yamamoto, M, Ogata, K.
Deposit date:2022-03-04
Release date:2022-11-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of transcription regulation by CNC family transcription factor, Nrf2.
Nucleic Acids Res., 50, 2022
6T7V
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BU of 6t7v by Molmil
KEAP1 IN COMPLEX WITH PEPTIDE 8
Descriptor: ACETATE ION, Kelch-like ECH-associated protein 1, LEU-ASP-PRO-GLU-THR-GLY-GLU-PHE-LEU
Authors:Colarusso, S.
Deposit date:2019-10-23
Release date:2020-09-09
Last modified:2020-10-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Optimization of linear and cyclic peptide inhibitors of KEAP1-NRF2 protein-protein interaction.
Bioorg.Med.Chem., 28, 2020
8EJS
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BU of 8ejs by Molmil
Kelch domain of human KEAP1 bound to Nrf2 linear peptide, Ac-(BAla)DPETGE-NH2
Descriptor: Kelch-like ECH-associated protein 1, Peptide from Nuclear factor erythroid 2-related factor 2
Authors:Muellers, S.N, Allen, K.N.
Deposit date:2022-09-18
Release date:2023-09-27
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:The benefit of cyclization: a comparison of cyclic and linear peptide inhibitors of the KEAP1/Nrf2 protein-protein interaction
To Be Published
2LZ1
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BU of 2lz1 by Molmil
Solution NMR Structure of the DNA-Binding Domain of Human NF-E2-Related Factor 2, Northeast Structural Genomics Consortium (NESG) Target HR3520O
Descriptor: Nuclear factor erythroid 2-related factor 2
Authors:Eletsky, A, Pulavarti, S.V.S.R.K, Lee, D, Kohan, E, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-09-22
Release date:2012-11-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR Structure of the DNA-Binding Domain of Human NF-E2-Related Factor 2, Northeast Structural Genomics Consortium (NESG) Target HR3520O
To be Published
7O7B
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BU of 7o7b by Molmil
Solution NMR Structure of the Neh1 Domain of Human Nuclear factor erythroid 2-related factor 2 (NRF2)
Descriptor: Isoform 3 of Nuclear factor erythroid 2-related factor 2
Authors:Brueschweiler, S.
Deposit date:2021-04-13
Release date:2021-09-29
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A Step toward NRF2-DNA Interaction Inhibitors by Fragment-Based NMR Methods.
Chemmedchem, 16, 2021

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