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8X34
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ProteinMY
Descriptor: Kelch-like ECH-associated protein 1
Authors:Yilmaz, M, Gul, M, Tavli, S, Okuducu, C, Gul, B, DeMirci, H.
Deposit date:2023-11-11
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Human KEAP1 Kelch domain at ambient temperature
To Be Published
8W4J
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Cryo-EM structure of the KLHL22 E3 ligase bound to human glutamate dehydrogenase I
Descriptor: Glutamate dehydrogenase 1, mitochondrial, Kelch-like protein 22
Authors:Su, M.-Y, Su, M.-Y.
Deposit date:2023-08-24
Release date:2023-11-01
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Cryo-EM structure of the KLHL22 E3 ligase bound to an oligomeric metabolic enzyme.
Structure, 31, 2023
8Q1R
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BU of 8q1r by Molmil
mouse Keap1 in complex with stapled peptide
Descriptor: Kelch-like ECH-associated protein 1, SODIUM ION, SULFATE ION, ...
Authors:Kack, H, Wissler, L.
Deposit date:2023-08-01
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:A cell-active cyclic peptide targeting the Nrf2/Keap1 protein-protein interaction.
Chem Sci, 14, 2023
8Q1Q
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BU of 8q1q by Molmil
mouse Keap1 in complex with stapled peptide
Descriptor: Kelch-like ECH-associated protein 1, SULFATE ION, Stapled peptide, ...
Authors:Kack, H, Wissler, L.
Deposit date:2023-08-01
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.378 Å)
Cite:A cell-active cyclic peptide targeting the Nrf2/Keap1 protein-protein interaction.
Chem Sci, 14, 2023
8PKX
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BU of 8pkx by Molmil
Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 11 (ortho-WRCNPETaEC).
Descriptor: (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Braun, M.B, Bischof, L, Hartmann, M.D.
Deposit date:2023-06-27
Release date:2023-11-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders.
J.Chem.Inf.Model., 63, 2023
8PKW
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BU of 8pkw by Molmil
Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 5 (ortho-WRCDPETaEC).
Descriptor: (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Braun, M.B, Bischof, L, Hartmann, M.D.
Deposit date:2023-06-27
Release date:2023-11-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders.
J.Chem.Inf.Model., 63, 2023
8PKV
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Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 4 (ortho-WRCDEETGEC).
Descriptor: (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Braun, M.B, Bischof, L, Hartmann, M.D.
Deposit date:2023-06-27
Release date:2023-11-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders.
J.Chem.Inf.Model., 63, 2023
8PKU
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BU of 8pku by Molmil
Kelch domain of KEAP1 in complex with ortho-dimethylbenzene linked cyclic peptide 3 (ortho-WRCDEETGEC).
Descriptor: (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Braun, M.B, Bischof, L, Hartmann, M.D.
Deposit date:2023-06-27
Release date:2023-11-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders.
J.Chem.Inf.Model., 63, 2023
8OIO
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BU of 8oio by Molmil
Crystal structure of the kelch domain of human KLHL12 in complex with PLEKHA4 peptide
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Kelch-like protein 12, ...
Authors:Dalietou, E.V, Chen, Z, Ramdass, A.E, Manning, C, Richardson, W, Aitmakhanova, K, Platt, M, Pike, A, Fedorov, O, Brennan, P, Bullock, A.N.
Deposit date:2023-03-23
Release date:2024-04-03
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.954 Å)
Cite:Crystal structure of the kelch domain of human KLHL12 in complex with PLEKHA4 peptide
To Be Published
8KHP
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BU of 8khp by Molmil
CULLIN3-KLHL22-RBX1 E3 ligase
Descriptor: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch-like protein 22
Authors:Su, M.-Y, Su, M.-Y.
Deposit date:2023-08-22
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:Cryo-EM structure of the KLHL22 E3 ligase bound to an oligomeric metabolic enzyme.
Structure, 31, 2023
8IXS
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BU of 8ixs by Molmil
Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1/Nrf2 PPI Inhibitor for Treatment of Chronic Kidney Disease
Descriptor: (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
Authors:Nomura, A, Yamaguchi, K, Adachi, T.
Deposit date:2023-04-03
Release date:2023-06-14
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1-Nrf2 PPI Inhibitor.
Acs Med.Chem.Lett., 14, 2023
8IVR
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BU of 8ivr by Molmil
Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1/Nrf2 PPI Inhibitor for Treatment of Chronic Kidney Disease
Descriptor: (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
Authors:Nomura, A, Yamaguchi, K, Adachi, T.
Deposit date:2023-03-28
Release date:2023-06-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1-Nrf2 PPI Inhibitor.
Acs Med.Chem.Lett., 14, 2023
8IVG
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BU of 8ivg by Molmil
Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1/Nrf2 PPI Inhibitor for Treatment of Chronic Kidney Disease
Descriptor: (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, ...
Authors: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.
Deposit date:2023-03-27
Release date:2023-06-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1-Nrf2 PPI Inhibitor.
Acs Med.Chem.Lett., 14, 2023
8IN0
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BU of 8in0 by Molmil
Structure of the Keap1 Kelch domain in complex with PGAM5-derived peptide
Descriptor: Kelch-like ECH-associated protein 1, PGAM5 12-mer peptide, SULFATE ION
Authors:Jiang, L, Wang, C.
Deposit date:2023-03-08
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the Keap1 Kelch domain in complex with PGAM5-derived peptide
To Be Published
8H3R
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BU of 8h3r by Molmil
Cryo-EM Structure of the KBTBD2-CRL3~N8 dimeric complex
Descriptor: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ...
Authors:Hu, Y, Mao, Q, Chen, Z, Sun, L.
Deposit date:2022-10-09
Release date:2023-10-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (6.36 Å)
Cite:Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8H3F
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BU of 8h3f by Molmil
Cryo-EM Structure of the KBTBD2-CRL3-CSN complex
Descriptor: COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ...
Authors:Hu, Y, Mao, Q, Chen, Z, Sun, L.
Deposit date:2022-10-08
Release date:2023-10-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (6.73 Å)
Cite:Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8H3A
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BU of 8h3a by Molmil
Cryo-EM Structure of the KBTBD2-CRL3~N8(removed)-CSN complex
Descriptor: COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ...
Authors:Hu, Y, Mao, Q, Chen, Z, Sun, L.
Deposit date:2022-10-08
Release date:2023-10-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (7.51 Å)
Cite:Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8H38
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BU of 8h38 by Molmil
Cryo-EM Structure of the KBTBD2-CRL3~N8-CSN(mutate) complex
Descriptor: COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ...
Authors:Hu, Y, Mao, Q, Chen, Z, Sun, L.
Deposit date:2022-10-08
Release date:2023-10-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.25 Å)
Cite:Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8H37
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BU of 8h37 by Molmil
Cryo-EM Structure of the KBTBD2-CUL3-Rbx1-p85a tetrameric complex
Descriptor: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ...
Authors:Hu, Y, Mao, Q, Chen, Z, Sun, L.
Deposit date:2022-10-08
Release date:2023-10-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (7.52 Å)
Cite:Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8H36
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BU of 8h36 by Molmil
Cryo-EM Structure of the KBTBD2-CUL3-Rbx1-p85a dimeric complex
Descriptor: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ...
Authors:Hu, Y, Mao, Q, Chen, Z, Sun, L.
Deposit date:2022-10-08
Release date:2023-10-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8H35
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BU of 8h35 by Molmil
Cryo-EM Structure of the KBTBD2-Cul3-Rbx1 octameric complex
Descriptor: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ...
Authors:Hu, Y, Mao, Q, Chen, Z, Sun, L.
Deposit date:2022-10-08
Release date:2023-10-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (7.41 Å)
Cite:Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8H34
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BU of 8h34 by Molmil
Cryo-EM Structure of the KBTBD2-Cul3-Rbx1 hexameric complex
Descriptor: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ...
Authors:Hu, Y, Mao, Q, Chen, Z, Sun, L.
Deposit date:2022-10-07
Release date:2023-10-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (7.99 Å)
Cite:Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8H33
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BU of 8h33 by Molmil
Cryo-EM Structure of the KBTBD2-Cul3-Rbx1 tetrameric complex
Descriptor: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ...
Authors:Hu, Y, Mao, Q, Chen, Z, Sun, L.
Deposit date:2022-10-07
Release date:2023-10-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (7.86 Å)
Cite:Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
8GQ6
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BU of 8gq6 by Molmil
Cryo-EM Structure of the KBTBD2-CUL3-Rbx1 dimeric complex
Descriptor: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ...
Authors:Sun, L, Chen, Z, Hu, Y, Mao, Q.
Deposit date:2022-08-29
Release date:2023-09-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
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

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PDB entries from 2024-04-17

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