2QON
 
 | | Human EphA3 kinase and juxtamembrane region, Y596F:Y602F:Y742A triple mutant | | Descriptor: | Ephrin receptor, GLYCEROL | | Authors: | Davis, T, Walker, J.R, Newman, E.M, Mackenzie, F, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-07-20 | | Release date: | 2007-08-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3).
Structure, 16, 2008
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2QO9
 | | Human EphA3 kinase and juxtamembrane region, phosphorylated, AMP-PNP bound | | Descriptor: | Ephrin receptor, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Davis, T, Walker, J.R, Newman, E.M, Mackenzie, F, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-07-20 | | Release date: | 2007-08-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3).
Structure, 16, 2008
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2QOK
 | | Human EphA3 kinase and juxtamembrane region, Y596F:Y602F:S768A triple mutant | | Descriptor: | BETA-MERCAPTOETHANOL, Ephrin receptor | | Authors: | Davis, T, Walker, J.R, Newman, E.M, Mackenzie, F, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-07-20 | | Release date: | 2007-08-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3).
Structure, 16, 2008
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2QOC
 | | Human EphA3 kinase domain, phosphorylated, AMP-PNP bound structure | | Descriptor: | BETA-MERCAPTOETHANOL, Ephrin receptor, MAGNESIUM ION, ... | | Authors: | Davis, T, Walker, J.R, Newman, E.M, Mackenzie, F, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-07-20 | | Release date: | 2007-08-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3).
Structure, 16, 2008
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2QOQ
 | | Human EphA3 kinase and juxtamembrane region, base, AMP-PNP bound structure | | Descriptor: | Ephrin receptor, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Davis, T, Walker, J.R, Newman, E.M, Mackenzie, F, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Loppnau, P, Allali-Hassani, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-07-20 | | Release date: | 2007-10-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3).
Structure, 16, 2008
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2QO7
 | | Human EphA3 kinase and juxtamembrane region, dephosphorylated, AMP-PNP bound | | Descriptor: | BETA-MERCAPTOETHANOL, Ephrin receptor, GLYCEROL, ... | | Authors: | Davis, T, Walker, J.R, Newman, E.M, Mackenzie, F, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-07-20 | | Release date: | 2007-08-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.605 Å) | | Cite: | Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3).
Structure, 16, 2008
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2QOI
 | | Human EphA3 kinase and juxtamembrane region, Y596F:Y602F double mutant | | Descriptor: | BETA-MERCAPTOETHANOL, Ephrin receptor | | Authors: | Davis, T, Walker, J.R, Newman, E.M, Mackenzie, F, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-07-20 | | Release date: | 2007-08-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3).
Structure, 16, 2008
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2QOL
 | | Human EphA3 kinase and juxtamembrane region, Y596:Y602:S768G triple mutant | | Descriptor: | Ephrin receptor | | Authors: | Davis, T, Walker, J.R, Newman, E.M, Mackenzie, F, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-07-20 | | Release date: | 2007-08-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3).
Structure, 16, 2008
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1XHM
 | | The Crystal Structure of a Biologically Active Peptide (SIGK) Bound to a G Protein Beta:Gamma Heterodimer | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) gamma-2 subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(T) beta subunit 1, SIGK Peptide | | Authors: | Davis, T.L, Bonacci, T.M, Smrcka, A.V, Sprang, S.R. | | Deposit date: | 2004-09-20 | | Release date: | 2005-08-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and Molecular Characterization of a Preferred Protein Interaction Surface on G Protein betagamma Subunits.
Biochemistry, 44, 2005
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1GZ8
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 2-Amino-6-(3'-methyl-2'-oxo)butoxypurine | | Descriptor: | 1-[(2-AMINO-6,9-DIHYDRO-1H-PURIN-6-YL)OXY]-3-METHYL-2-BUTANOL, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Davies, T, Endicott, J, Johnson, L, Noble, M, Tucker, J. | | Deposit date: | 2002-05-17 | | Release date: | 2003-06-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Probing the ATP Ribose-Binding Domain of Cyclin-Dependent Kinases 1 and 2 with O(6)-Substituted Guanine Derivatives
J.Med.Chem., 45, 2002
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7P5E
 | | Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction | | Descriptor: | 1-[6-[3-(dimethylcarbamoyl)phenyl]pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Davies, T.G, Cleasby, A. | | Deposit date: | 2021-07-14 | | Release date: | 2021-11-17 | | Last modified: | 2021-11-24 | | Method: | X-RAY DIFFRACTION (1.874 Å) | | Cite: | Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7P58
 | | Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction | | Descriptor: | 1-[6-(3-propan-2-yloxyphenyl)pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Davies, T.G. | | Deposit date: | 2021-07-14 | | Release date: | 2021-11-17 | | Last modified: | 2021-11-24 | | Method: | X-RAY DIFFRACTION (1.886 Å) | | Cite: | Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7P5N
 | | Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction | | Descriptor: | 1-[3-[(1~{R},3~{S})-3-[(2~{R})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1 | | Authors: | Davies, T.G. | | Deposit date: | 2021-07-14 | | Release date: | 2021-11-17 | | Last modified: | 2021-11-24 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7P5P
 | | Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction | | Descriptor: | 5-[(1~{R},2~{R})-2-(1-methyl-1,2,3-triazol-4-yl)cyclopropyl]-1-[3-[3-[(2~{R})-2-propylpiperidin-1-yl]carbonylphenyl]phenyl]pyrazole-4-carboxylic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1, ... | | Authors: | Davies, T.G. | | Deposit date: | 2021-07-14 | | Release date: | 2021-11-17 | | Last modified: | 2021-11-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7P5I
 | | Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction | | Descriptor: | 1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]-5-[(1~{R},2~{R})-2-(1-methyl-1,2,3-triazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1, ... | | Authors: | Davies, T.G, Cleasby, A. | | Deposit date: | 2021-07-14 | | Release date: | 2021-11-17 | | Last modified: | 2021-11-24 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7P5F
 | | Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction | | Descriptor: | 5-cyclopropyl-1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]pyrazole-4-carboxylic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1 | | Authors: | Davies, T.G. | | Deposit date: | 2021-07-14 | | Release date: | 2021-11-17 | | Last modified: | 2021-11-24 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7P5K
 | | Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction | | Descriptor: | 5-cyclopropyl-1-[3-[2-fluoranyl-3-[(2~{R})-2-propylpiperidin-1-yl]carbonyl-phenyl]phenyl]pyrazole-4-carboxylic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1 | | Authors: | Davies, T.G. | | Deposit date: | 2021-07-14 | | Release date: | 2021-11-17 | | Last modified: | 2021-11-24 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Fragment-Guided Discovery of Pyrazole Carboxylic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2 Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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1H1Q
 | | Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6094 | | Descriptor: | 2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | | Authors: | Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N. | | Deposit date: | 2002-07-21 | | Release date: | 2002-09-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Design of a Potent Purine-Based Cyclin-Dependent Kinase Inhibitor
Nat.Struct.Biol., 9, 2002
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1H1S
 | | Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6102 | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE | | Authors: | Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N. | | Deposit date: | 2002-07-21 | | Release date: | 2002-09-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Based Design of a Potent Purine-Based Cyclin-Dependent Kinase Inhibitor
Nat.Struct.Biol., 9, 2002
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1H1P
 | | Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU2058 | | Descriptor: | 6-O-CYCLOHEXYLMETHYL GUANINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | | Authors: | Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N. | | Deposit date: | 2002-07-21 | | Release date: | 2002-09-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Design of a Potent Purine-Based Cyclin-Dependent Kinase Inhibitor
Nat.Struct.Biol., 9, 2002
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1H1R
 | | Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6086 | | Descriptor: | 6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | | Authors: | Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N. | | Deposit date: | 2002-07-21 | | Release date: | 2002-09-19 | | Last modified: | 2019-10-02 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design of a potent purine-based cyclin-dependent kinase inhibitor.
Nat. Struct. Biol., 9, 2002
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5FNR
 | | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | | Descriptor: | (3S)-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | | Authors: | 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. | | Deposit date: | 2015-11-16 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | 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
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5FNQ
 | | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | | Descriptor: | 3-(4-CHLOROPHENYL)PROPANOIC ACID, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | | Authors: | 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. | | Deposit date: | 2015-11-16 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | 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
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5FZJ
 | | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | | Descriptor: | 2,6-DIMETHYL-4H-PYRANO[3,4-D][1,3]OXAZOL-4-ONE, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | | Authors: | 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. | | Deposit date: | 2016-03-14 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | 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
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5FNU
 | | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | | Descriptor: | (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 | | Authors: | 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. | | Deposit date: | 2015-11-16 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | 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
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