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5WFL
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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
4XMB
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Crystal structure of 2,2'-(naphthalene-1,4-diylbis(((4-methoxyphenyl)sulfonyl)azanediyl))diacetamide bound to human Keap1 Kelch domain
分子名称: 2,2'-(naphthalene-1,4-diylbis(((4-methoxyphenyl)sulfonyl)azanediyl))diacetamide, Kelch-like ECH-associated protein 1
著者Luciano, J.P, Ryuzoji, A.F, Mesecar, A.D.
登録日2015-01-14
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.428 Å)
主引用文献Probing the structural requirements of non-electrophilic naphthalene-based Nrf2 activators.
Eur.J.Med.Chem., 103, 2015
8CIA
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Crystal structure of the kelch domain of human KLHL20
分子名称: Kelch like family member 20, Kelch-like protein 20
著者Sweeney, M.N, Bradshaw, W.J, Chen, Z, Bullock, A.N.
登録日2023-02-09
公開日2023-03-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (3.72 Å)
主引用文献Crystal structure of the kelch domain of human KLHL20
To Be Published
6N3H
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Crystal structure of Kelch domain of the human NS1 binding protein
分子名称: Influenza virus NS1A-binding protein
著者Zhang, K, Shang, G, Padavannil, A, Fontoura, B.M.A, Chook, Y.M.
登録日2018-11-15
公開日2018-12-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural-functional interactions of NS1-BP protein with the splicing and mRNA export machineries for viral and host gene expression.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5NKP
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Crystal structure of the human KLHL3 Kelch domain in complex with a WNK3 peptide
分子名称: CHLORIDE ION, CITRIC ACID, Kelch-like protein 3, ...
著者Chen, Z, Sorrell, F.J, Pinkas, D.M, Williams, E, Mathea, S, Goubin, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Burgess-Brown, N, Bountra, C, Bullock, A.
登録日2017-03-31
公開日2017-05-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the human KLHL3 Kelch domain in complex with a WNK3 peptide
To Be Published
3II7
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Crystal structure of the kelch domain of human KLHL7
分子名称: 1,2-ETHANEDIOL, Kelch-like protein 7
著者Chaikuad, A, Thangaratnarajah, C, Cooper, C.D.O, Ugochukwu, E, Muniz, J.R.C, Krojer, T, Sethi, R, Pike, A.C.W, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC)
登録日2009-07-31
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural basis for Cul3 protein assembly with the BTB-Kelch family of E3 ubiquitin ligases.
J.Biol.Chem., 288, 2013
4N1B
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STRUCTURE OF KEAP1 KELCH DOMAIN WITH(1S,2R)-2-[(1S)-1-[(1-oxo-2,3-dihydro-1H-isoindol-2-Yl)methyl]-1,2,3,4-tetrahydroisoquinoline-2-Carbonyl]cyclohexane-1-carboxylic acid
分子名称: (1S,2R)-2-{[(1S)-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1
著者Smith, M.A, Duclos, S, Beaumont, E, Kwong, J, Brooks, M, Barker, J, Jnoff, E, Brookfield, F, Courade, J.P, Barker, O, Fryatt, T, Albrecht, C, Bromidge, S.
登録日2013-10-03
公開日2014-02-19
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex.
Chemmedchem, 9, 2014
8A46
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Crystal structure of the human Kelch domain of Keap1 in complex with compound S217879
分子名称: 2-[(1S,2R,8S)-2,4,32-trimethyl-28,28-bis(oxidanylidene)-19,22,27-trioxa-28$l^{6}-thia-1,14,15,16-tetrazahexacyclo[21.5.3.1^{3,7}.1^{9,13}.0^{12,16}.0^{26,30}]tritriaconta-3(33),4,6,9(32),10,12,14,23,25,30-decaen-8-yl]ethanoic acid, Kelch-like ECH-associated protein 1
著者Weber, C, Vuillard, L, Delerive, P, Miallau, L.
登録日2022-06-10
公開日2022-07-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.323 Å)
主引用文献Selective disruption of NRF2-KEAP1 interaction leads to NASH resolution and reduction of liver fibrosis in mice.
JHEP Rep, 5, 2023
6LRZ
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Crystal structure of Keap1 in complex with dimethyl fumarate (DMF)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ACETATE ION, Keap1-DC, ...
著者Padmanabhan, B, Unni, S, Deshmukh, P.
登録日2020-01-16
公開日2020-08-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural insights into the multiple binding modes of Dimethyl Fumarate (DMF) and its analogs to the Kelch domain of Keap1.
Febs J., 288, 2021
5FNU
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Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor.
分子名称: (3S)-3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoic acid, CHLORIDE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1
著者Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K.
登録日2015-11-16
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
4CHB
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BU of 4chb by Molmil
Crystal structure of the human KLHL2 Kelch domain in complex with a WNK4 peptide
分子名称: 1,2-ETHANEDIOL, DODECAETHYLENE GLYCOL, KELCH-LIKE PROTEIN 2, ...
著者Sorrell, F.J, Schumacher, F.R, Kurz, T, Alessi, D.R, Newman, J, Cooper, C.D.O, Canning, P, Kopec, J, Williams, E, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2013-11-29
公開日2014-01-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural and Biochemical Characterisation of the Klhl3-Wnk Kinase Interaction Important in Blood Pressure Regulation.
Biochem.J., 460, 2014
5FNR
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BU of 5fnr by Molmil
Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor.
分子名称: (3S)-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1
著者Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K.
登録日2015-11-16
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
4CH9
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BU of 4ch9 by Molmil
Crystal structure of the human KLHL3 Kelch domain in complex with a WNK4 peptide
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, KELCH-LIKE PROTEIN 3, ...
著者Sorrell, F.J, Schumacher, F.R, Kurz, T, Alessi, D.R, Newman, J, Goubin, S, Chalk, R, Kopec, J, Tallant, C, Williams, E, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2013-11-29
公開日2014-01-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structural and Biochemical Characterisation of the Klhl3-Wnk Kinase Interaction Important in Blood Pressure Regulation.
Biochem.J., 460, 2014
1U6D
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BU of 1u6d by Molmil
Crystal structure of the Kelch domain of human Keap1
分子名称: kelch-like ECH-associated protein 1
著者Li, X, Zhang, D, Hannink, M, Beamer, L.J.
登録日2004-07-29
公開日2004-10-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of the kelch domain of human keap1
J.Biol.Chem., 279, 2004
5X54
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Crystal structure of the Keap1 Kelch domain in complex with a tetrapeptide
分子名称: ACE-GLU-TRP-TRP-TRP, ACETATE ION, Kelch-like ECH-associated protein 1
著者Sogabe, S, Kadotani, A, Lane, W, Snell, G.
登録日2017-02-14
公開日2017-03-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of a Kelch-like ECH-associated protein 1-inhibitory tetrapeptide and its structural characterization
Biochem. Biophys. Res. Commun., 486, 2017
5YQ4
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BU of 5yq4 by Molmil
Crystal structure of kelch domain of KLHL20
分子名称: Kelch-like protein 20
著者Yeh, M.C, Ho, M.C.
登録日2017-11-05
公開日2018-11-14
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献The crystal structure of kelch domain of KLHL20
To Be Published
1X2J
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BU of 1x2j by Molmil
Structural basis for the defects of human lung cancer somatic mutations in the repression activity of Keap1 on Nrf2
分子名称: Kelch-like ECH-associated protein 1, SULFATE ION
著者Padmanabhan, B, Tong, K.I, Nakamura, Y, Ohta, T, Scharlock, M, Kobayashi, A, Ohtsuji, M, Kang, M.-I, Yamamoto, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-04-25
公開日2006-03-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for defects of keap1 activity provoked by its point mutations in lung cancer
Mol.Cell, 21, 2006
1X2R
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Structural basis for the defects of human lung cancer somatic mutations in the repression activity of Keap1 on Nrf2
分子名称: Kelch-like ECH-associated protein 1, Nuclear factor erythroid 2 related factor 2, SULFATE ION
著者Padmanabhan, B, Tong, K.I, Nakamura, Y, Ohta, T, Scharlock, M, Kobayashi, A, Ohtsuji, M, Kang, M.-I, Yamamoto, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-04-26
公開日2006-03-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for defects of keap1 activity provoked by its point mutations in lung cancer
Mol.Cell, 21, 2006
7C5E
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BU of 7c5e by Molmil
Crystal structure of Keap1 in complex with fumarate (FUM)
分子名称: ACETATE ION, FUMARIC ACID, Kelch-like ECH-associated protein 1, ...
著者Padmanabhan, B, Unni, S, Deshmukh, P.
登録日2020-05-19
公開日2020-08-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural insights into the multiple binding modes of Dimethyl Fumarate (DMF) and its analogs to the Kelch domain of Keap1.
Febs J., 288, 2021
7C60
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Crystal structure of Keap1 in complex with monoethyl fumarate (MEF)
分子名称: (~{Z})-4-ethoxy-4-oxidanylidene-but-2-enoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ...
著者Padmanabhan, B, Unni, S, Deshmukh, P, Krishnappa, G.
登録日2020-05-21
公開日2020-08-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural insights into the multiple binding modes of Dimethyl Fumarate (DMF) and its analogs to the Kelch domain of Keap1.
Febs J., 288, 2021
8EHV
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BU of 8ehv by Molmil
Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[DhA-GDPET(bAla)E]
分子名称: Kelch-like ECH-associated protein 1, cyclic peptide c[DhA-GDPET(bAla)E
著者Muellers, S.N, Allen, K.N.
登録日2022-09-14
公開日2023-09-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Machine-learning analysis of molecular dynamics simulations to elucidate the effect of strain and preorganization on conformational modes of motion in cyclic peptides
To Be Published
8EJR
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BU of 8ejr by Molmil
Kelch domain of human KEAP1 bound to Nrf2 linear peptide, Ac-GDPETGE-NH2
分子名称: Kelch-like ECH-associated protein 1, Linear peptide from Nuclear factor erythroid 2-related factor 2
著者Muellers, S.N, Allen, K.N.
登録日2022-09-18
公開日2023-09-27
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献The benefit of cyclization: a comparison of cyclic and linear peptide inhibitors of the KEAP1/Nrf2 protein-protein interaction
To Be Published
8EJS
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Kelch domain of human KEAP1 bound to Nrf2 linear peptide, Ac-(BAla)DPETGE-NH2
分子名称: Kelch-like ECH-associated protein 1, Peptide from Nuclear factor erythroid 2-related factor 2
著者Muellers, S.N, Allen, K.N.
登録日2022-09-18
公開日2023-09-27
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献The benefit of cyclization: a comparison of cyclic and linear peptide inhibitors of the KEAP1/Nrf2 protein-protein interaction
To Be Published
5YY8
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Crystal structure of the Kelch domain of human NS1-BP
分子名称: Influenza virus NS1A-binding protein
著者Guo, L, Liu, Y, Liang, H.
登録日2017-12-08
公開日2018-03-14
実験手法X-RAY DIFFRACTION (1.979 Å)
主引用文献Crystal structure of the Kelch domain of human NS1-binding protein at 1.98 angstrom resolution.
Acta Crystallogr F Struct Biol Commun, 74, 2018
3VNG
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Crystal Structure of Keap1 in Complex with Synthetic Small Molecular based on a co-crystallization
分子名称: 2-(3-((3-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)ureido)methyl)phenoxy)acetic acid, Kelch-like ECH-associated protein 1
著者Kunishima, N, Tanaka, T, Satoh, M, Saburi, H.
登録日2012-01-12
公開日2013-01-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Keap1 in Complex with Synthetic Small Molecular based on a co-crystallization
To be Published

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