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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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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8X34
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8W4J
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8TX6
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8TX5
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8KHP
| 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
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8TTQ
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8Q1Q
| 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 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.378 Å) | Cite: | A cell-active cyclic peptide targeting the Nrf2/Keap1 protein-protein interaction. Chem Sci, 14, 2023
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8Q1R
| 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
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8K8T
| Structure of CUL3-RBX1-KLHL22 complex | Descriptor: | Cullin-3, Kelch-like protein 22 | Authors: | Wang, W, Ling, L, Dai, Z, Zuo, P, Yin, Y. | Deposit date: | 2023-07-31 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | A conserved N-terminal motif of CUL3 contributes to assembly and E3 ligase activity of CRL3 KLHL22. Nat Commun, 15, 2024
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8PKS
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8PKW
| 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: | 2024-10-16 | 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
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8PKU
| 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
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8PKX
| 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: | 2024-10-09 | 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
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8PKV
| 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
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8IXS
| 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 | Last modified: | 2024-05-29 | 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
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8IVR
| 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 | Last modified: | 2024-05-29 | 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
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8IVG
| 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 | Last modified: | 2024-05-29 | 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
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8OIO
| 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.C.W, Fedorov, O, Brennan, P, Bullock, A.N. | Deposit date: | 2023-03-23 | Release date: | 2024-04-03 | Last modified: | 2024-04-24 | 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
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8IN0
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8CIA
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8H3R
| 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
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8H3F
| 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
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8H3A
| 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
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