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PDB: 76 results
1E9H
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BU of 1e9h by Molmil
Thr 160 phosphorylated CDK2 - Human cyclin A3 complex with the inhibitor indirubin-5-sulphonate bound
Descriptor: 2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID, CELL DIVISION PROTEIN KINASE 2, CYCLIN A3
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:2024-11-13
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
7P58
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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:2024-06-19
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
7P5E
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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:2024-06-19
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
7P5K
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BU of 7p5k by Molmil
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:2024-06-19
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
7P5I
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BU of 7p5i by Molmil
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:2024-06-19
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
7P5F
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BU of 7p5f by Molmil
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:2024-06-19
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
7P5N
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BU of 7p5n by Molmil
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:2024-06-19
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
7P5P
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BU of 7p5p by Molmil
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:2024-06-19
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
1B7H
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BU of 1b7h by Molmil
OLIGO-PEPTIDE BINDING PROTEIN COMPLEXED WITH LYSYL-NORLEUCYL-LYSINE
Descriptor: LYS-NLE-LYS PEPTIDE, Periplasmic oligopeptide-binding protein, URANIUM ATOM
Authors:Davies, T.G, Tame, J.R.H.
Deposit date:1998-11-16
Release date:1998-11-25
Last modified:2024-11-20
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
1B0H
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BU of 1b0h by Molmil
OLIGO-PEPTIDE BINDING PROTEIN COMPLEXED WITH LYSYL-NAPTHYLALANYL-LYSINE
Descriptor: LYS-ALN-LYS PEPTIDE, PERIPLASMIC OLIGOPEPTIDE-BINDING PROTEIN, URANIUM ATOM
Authors:Davies, T.G, Tame, J.R.H.
Deposit date:1998-11-10
Release date:1998-11-11
Last modified:2023-12-27
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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BU of 1b6h by Molmil
OLIGO-PEPTIDE BINDING PROTEIN COMPLEXED WITH LYSYL-NORVALYL-LYSINE
Descriptor: LYS-NVA-LYS PEPTIDE, Periplasmic oligopeptide-binding protein, URANIUM ATOM
Authors:Davies, T.G, Tame, J.R.H.
Deposit date:1998-11-13
Release date:1998-11-18
Last modified:2024-11-20
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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BU of 1b2h by Molmil
Oligo-Peptide Binding Protein Complexed with Lysyl-Ornithyl-Lysine
Descriptor: ACETATE ION, LYS-ORN-LYS, PERIPLASMIC OLIGOPEPTIDE-BINDING PROTEIN, ...
Authors:Davies, T.G, Tame, J.R.H.
Deposit date:1998-11-16
Release date:1998-11-16
Last modified:2023-12-27
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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BU of 1b1h by Molmil
OLIGO-PEPTIDE BINDING PROTEIN/TRIPEPTIDE (LYS HPE LYS) COMPLEX
Descriptor: PROTEIN (LYS HPE LYS), PROTEIN (OLIGO-PEPTIDE BINDING PROTEIN), URANYL (VI) ION
Authors:Davies, T.G, Tame, J.R.H.
Deposit date:1998-11-10
Release date:1998-11-18
Last modified:2023-12-27
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
1B3H
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BU of 1b3h by Molmil
OLIGO-PEPTIDE BINDING PROTEIN COMPLEXED WITH LYSYL-CYCLOHEXYLALANYL-LYSINE
Descriptor: LYS-ALC-LYS PEPTIDE, PERIPLASMIC OLIGOPEPTIDE-BINDING PROTEIN, URANIUM ATOM
Authors:Davies, T.G, Tame, J.R.H.
Deposit date:1998-11-16
Release date:1998-11-18
Last modified:2024-11-06
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
1B5H
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BU of 1b5h by Molmil
OLIGO-PEPTIDE BINDING PROTEIN COMPLEXED WITH LYSYL-DIAMINOPROPANOIC ACID-LYSINE
Descriptor: LYS-DPP-LYS PEPTIDE, OLIGO-PEPTIDE BINDING PROTEIN, URANIUM ATOM
Authors:Davies, T.G, Tame, J.R.H.
Deposit date:1998-11-13
Release date:1998-11-18
Last modified:2023-12-27
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
1B4H
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BU of 1b4h by Molmil
OLIGO-PEPTIDE BINDING PROTEIN COMPLEXED WITH LYSYL-DIAMINOBUTYRIC ACID-LYSINE
Descriptor: LYS-DAB-LYS PEPTIDE, PERIPLASMIC OLIGO-PEPTIDE BINDING PROTEIN, URANIUM ATOM
Authors:Davies, T.G, Tame, J.R.H.
Deposit date:1998-11-11
Release date:1998-11-18
Last modified:2024-11-20
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
2UW0
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BU of 2uw0 by Molmil
Structure of PKA-PKB chimera complexed with 6-(4-(4-(4-Chloro-phenyl) -piperidin-4-yl)-phenyl)-9H-purine
Descriptor: 6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Hunter, L.J, Boyle, R.G, Aherne, G.W, Garrett, M.D, Collins, I.
Deposit date:2007-03-15
Release date:2007-05-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design
J.Med.Chem., 50, 2007
2UVZ
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BU of 2uvz by Molmil
Structure of PKA-PKB chimera complexed with C-Phenyl-C-(4-(9H-purin-6- yl)-phenyl)-methylamine
Descriptor: (S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Hunter, L.J, Boyle, R.G, Aherne, G.W, Garrett, M.D, Collins, I.
Deposit date:2007-03-15
Release date:2007-05-08
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design
J.Med.Chem., 50, 2007
2UW8
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BU of 2uw8 by Molmil
Structure of PKA-PKB chimera complexed with 2-(4-chloro-phenyl)-2- phenyl-ethylamine
Descriptor: (2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A.
Deposit date:2007-03-19
Release date:2007-05-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery.
J.Med.Chem., 50, 2007
2UW7
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BU of 2uw7 by Molmil
Structure of PKA-PKB chimera complexed with 4-(4-chloro-phenyl)-4-(4- (1H-pyrazol-4-yl)-phenyl)-piperidine
Descriptor: 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A.
Deposit date:2007-03-19
Release date:2007-05-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery
J.Med.Chem., 50, 2007
2UW4
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BU of 2uw4 by Molmil
Structure of PKA-PKB chimera complexed with 2-(4-(5-methyl-1H-pyrazol- 4-yl)-phenyl)-ethylamine
Descriptor: 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A.
Deposit date:2007-03-19
Release date:2007-05-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery
J.Med.Chem., 50, 2007
2UW5
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BU of 2uw5 by Molmil
Structure of PKA-PKB chimera complexed with (R)-2-(4-chloro-phenyl)- 2-(4-1H-pyrazol-4-yl)-phenyl)-ethylamine
Descriptor: (2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A.
Deposit date:2007-03-19
Release date:2007-05-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery
J.Med.Chem., 50, 2007
2UW3
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BU of 2uw3 by Molmil
Structure of PKA-PKB chimera complexed with 5-methyl-4-phenyl-1H- pyrazole
Descriptor: 3-METHYL-4-PHENYL-1H-PYRAZOLE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A.
Deposit date:2007-03-19
Release date:2007-05-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery
J.Med.Chem., 50, 2007
2JDT
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BU of 2jdt by Molmil
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:2024-10-23
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
2JDS
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BU of 2jds by Molmil
Structure of cAMP-dependent protein kinase complexed with A-443654
Descriptor: (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, CAMP-DEPENDENT PROTEIN KINASE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA
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:2024-11-20
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

 

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