Author results

1B0H
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OLIGO-PEPTIDE BINDING PROTEIN COMPLEXED WITH LYSYL-NAPTHYLALANYL-LYSINE
Descriptor:PERIPLASMIC OLIGOPEPTIDE-BINDING PROTEIN, LYS-ALN-LYS PEPTIDE, URANIUM ATOM
Authors:Davies, T.G., Tame, J.R.H.
Deposit date:1998-11-10
Release date:1998-11-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Relating structure to thermodynamics: the crystal structures and binding affinity of eight OppA-peptide complexes.
Protein Sci., 8, 1999
1B1H
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OLIGO-PEPTIDE BINDING PROTEIN/TRIPEPTIDE (LYS HPE LYS) COMPLEX
Descriptor:PROTEIN (OLIGO-PEPTIDE BINDING PROTEIN), PROTEIN (LYS HPE LYS), URANYL (VI) ION
Authors:Davies, T.G., Tame, J.R.H.
Deposit date:1998-11-10
Release date:1998-11-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Relating structure to thermodynamics: the crystal structures and binding affinity of eight OppA-peptide complexes.
Protein Sci., 8, 1999
1B2H
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OLIGO-PEPTIDE BINDING PROTEIN COMPLEXED WITH LYSYL-ORNITHYL-LYSINE
Descriptor:PERIPLASMIC OLIGOPEPTIDE-BINDING PROTEIN, LYS-ORN-LYS, ACETATE ION, ...
Authors:Davies, T.G., Tame, J.R.H.
Deposit date:1998-11-16
Release date:1998-11-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Relating structure to thermodynamics: the crystal structures and binding affinity of eight OppA-peptide complexes.
Protein Sci., 8, 1999
1B3H
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OLIGO-PEPTIDE BINDING PROTEIN COMPLEXED WITH LYSYL-CYCLOHEXYLALANYL-LYSINE
Descriptor:PERIPLASMIC OLIGOPEPTIDE-BINDING PROTEIN, LYS-ALC-LYS PEPTIDE, URANIUM ATOM
Authors:Davies, T.G., Tame, J.R.H.
Deposit date:1998-11-16
Release date:1998-11-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Relating structure to thermodynamics: the crystal structures and binding affinity of eight OppA-peptide complexes.
Protein Sci., 8, 1999
1B4H
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OLIGO-PEPTIDE BINDING PROTEIN COMPLEXED WITH LYSYL-DIAMINOBUTYRIC ACID-LYSINE
Descriptor:PERIPLASMIC OLIGO-PEPTIDE BINDING PROTEIN, LYS-DAB-LYS PEPTIDE, URANIUM ATOM
Authors:Davies, T.G., Tame, J.R.H.
Deposit date:1998-11-11
Release date:1998-11-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Relating structure to thermodynamics: the crystal structures and binding affinity of eight OppA-peptide complexes.
Protein Sci., 8, 1999
1B5H
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OLIGO-PEPTIDE BINDING PROTEIN COMPLEXED WITH LYSYL-DIAMINOPROPANOIC ACID-LYSINE
Descriptor:OLIGO-PEPTIDE BINDING PROTEIN, LYS-DPP-LYS PEPTIDE, URANIUM ATOM
Authors:Davies, T.G., Tame, J.R.H.
Deposit date:1998-11-13
Release date:1998-11-18
Last modified:2011-09-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Relating structure to thermodynamics: the crystal structures and binding affinity of eight OppA-peptide complexes.
Protein Sci., 8, 1999
1B6H
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OLIGO-PEPTIDE BINDING PROTEIN COMPLEXED WITH LYSYL-NORVALYL-LYSINE
Descriptor:PERIPLASMIC OLIGO-PEPTIDE BINDING PROTEIN, LYS-NVA-LYS PEPTIDE, URANIUM ATOM
Authors:Davies, T.G., Tame, J.R.H.
Deposit date:1998-11-13
Release date:1998-11-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Relating structure to thermodynamics: the crystal structures and binding affinity of eight OppA-peptide complexes.
Protein Sci., 8, 1999
1B7H
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OLIGO-PEPTIDE BINDING PROTEIN COMPLEXED WITH LYSYL-NORLEUCYL-LYSINE
Descriptor:PERIPLASMIC OLIGO-PEPTIDE BINDING PROTEIN, LYS-NLE-LYS PEPTIDE, URANIUM ATOM
Authors:Davies, T.G., Tame, J.R.H.
Deposit date:1998-11-16
Release date:1998-11-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Relating structure to thermodynamics: the crystal structures and binding affinity of eight OppA-peptide complexes.
Protein Sci., 8, 1999
1E9H
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THR 160 PHOSPHORYLATED CDK2 - HUMAN CYCLIN A3 COMPLEX WITH THE INHIBITOR INDIRUBIN-5-SULPHONATE BOUND
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A3, 2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID
Authors:Davies, T.G., Tunnah, P., Noble, M.E.M., Endicott, J.A.
Deposit date:2000-10-16
Release date:2001-10-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Inhibitor Binding to Active and Inactive Cdk2: The Crystal Structure of Cdk2-Cyclin A/Indirubin-5-Sulphonate
Structure, 9, 2001
1H1P
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STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH THE INHIBITOR NU2058
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, 6-O-CYCLOHEXYLMETHYL GUANINE
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
1H1Q
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STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH THE INHIBITOR NU6094
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, 2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE
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
1H1R
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STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH THE INHIBITOR NU6086
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, 6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) 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: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
1H1S
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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
2JDO
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STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY) ETHYLAMINO)ETHYL)AMIDE
Descriptor:RAC-BETA SERINE/THREONINE-PROTEIN KINASE, GLYCOGEN SYNTHASE KINASE-3 BETA, ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE, ...
Authors:Davies, T.G., Verdonk, M.L., Graham, B., Saalau-Bethell, S., Hamlett, C.C.F., Mchardy, T., Collins, I., Garrett, M.D., Workman, P., Woodhead, S.J., Jhoti, H., Barford, D.
Deposit date:2007-01-11
Release date:2007-02-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Structural Comparison of Inhibitor Binding to Pkb, Pka and Pka-Pkb Chimera
J.Mol.Biol., 367, 2007
2JDR
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STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH THE INHIBITOR A-443654
Descriptor:RAC-BETA SERINE/THREONINE-PROTEIN KINASE, GLYCOGEN SYNTHASE KINASE-3 BETA, (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE
Authors:Davies, T.G., Verdonk, M.L., Graham, B., Saalau-Bethell, S., Hamlett, C.C.F., McHardy, T., Collins, I., Garrett, M.D., Workman, P., Woodhead, S.J., Jhoti, H., Barford, D.
Deposit date:2007-01-12
Release date:2007-02-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Structural Comparison of Inhibitor Binding to Pkb, Pka and Pka-Pkb Chimera
J.Mol.Biol., 367, 2007
2JDS
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STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH A-443654
Descriptor:CAMP-DEPENDENT PROTEIN KINASE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE
Authors:Davies, T.G., Verdonk, M.L., Graham, B., Saalau-Bethell, S., Hamlett, C.C.F., McHardy, T., Collins, I., Garrett, M.D., Workman, P., Woodhead, S.J., Jhoti, H., Barford, D.
Deposit date:2007-01-12
Release date:2007-02-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Structural Comparison of Inhibitor Binding to Pkb, Pka and Pka-Pkb Chimera
J.Mol.Biol., 367, 2007
2JDT
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STRUCTURE OF PKA-PKB CHIMERA COMPLEXED WITH ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY) ETHYLAMINO)ETHYL)AMIDE
Descriptor:CAMP-DEPENDENT PROTEIN KINASE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
Authors:Davies, T.G., Verdonk, M.L., Graham, B., Saalau-Bethell, S., Hamlett, C.C.F., McHardy, T., Collins, I., Garrett, M.D., Workman, P., Woodhead, S.J., Jhoti, H., Barford, D.
Deposit date:2007-01-12
Release date:2007-02-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A Structural Comparison of Inhibitor Binding to Pkb, Pka and Pka-Pkb Chimera
J.Mol.Biol., 367, 2007
2JDV
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STRUCTURE OF PKA-PKB CHIMERA COMPLEXED WITH A-443654
Descriptor:CAMP-DEPENDENT PROTEIN KINASE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE
Authors:Davies, T.G., Verdonk, M.L., Graham, B., Saalau-Bethell, S., Hamlett, C.C.F., Mchardy, T., Collins, I., Garrett, M.D., Workman, P., Woodhead, S.J., Jhoti, H., Barford, D.
Deposit date:2007-01-12
Release date:2007-02-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:A Structural Comparison of Inhibitor Binding to Pkb, Pka and Pka-Pkb Chimera
J.Mol.Biol., 367, 2007
5FNQ
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STRUCTURE OF THE KEAP1 KELCH DOMAIN IN COMPLEX WITH A SMALL MOLECULE INHIBITOR.
Descriptor:KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, 3-(4-CHLOROPHENYL)PROPANOIC ACID
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:2018-04-04
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
5FNR
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STRUCTURE OF THE KEAP1 KELCH DOMAIN IN COMPLEX WITH A SMALL MOLECULE INHIBITOR.
Descriptor:KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, (3S)-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid
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:2018-04-04
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
5FNS
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STRUCTURE OF THE KEAP1 KELCH DOMAIN IN COMPLEX WITH A SMALL MOLECULE INHIBITOR.
Descriptor:KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, (3s)-{4-Chloro-3-[(N-methylmethanesulfonamido) methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl) propanoic acid, CHLORIDE ION
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:2018-04-04
Method:X-RAY DIFFRACTION (1.79 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
5FNT
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STRUCTURE OF THE KEAP1 KELCH DOMAIN IN COMPLEX WITH A SMALL MOLECULE INHIBITOR.
Descriptor:KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, CHLORIDE ION, (3S)-3-{4-Chloro-3-[(N-methylbenzenesulfonamido) methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl)propanoic acid
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:2018-04-04
Method:X-RAY DIFFRACTION (1.79 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
5FNU
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STRUCTURE OF THE KEAP1 KELCH DOMAIN IN COMPLEX WITH A SMALL MOLECULE INHIBITOR.
Descriptor:KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, (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
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:2018-04-04
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
5FZJ
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STRUCTURE OF THE KEAP1 KELCH DOMAIN IN COMPLEX WITH A SMALL MOLECULE INHIBITOR.
Descriptor:KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, 2,6-DIMETHYL-4H-PYRANO[3,4-D][1,3]OXAZOL-4-ONE
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:2018-04-04
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
5FZN
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STRUCTURE OF THE KEAP1 KELCH DOMAIN IN COMPLEX WITH A SMALL MOLECULE INHIBITOR.
Descriptor:KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, SULFATE ION, benzenesulfonamide
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:2016-03-15
Release date:2016-04-13
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.97 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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