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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: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
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: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
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:2023-12-27
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
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:2023-12-27
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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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: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
1H1Q
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BU of 1h1q by Molmil
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
1H1S
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BU of 1h1s by Molmil
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
1H1P
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BU of 1h1p by Molmil
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
1H1R
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BU of 1h1r by Molmil
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
5FNU
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BU of 5fnu by Molmil
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
5FNR
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BU of 5fnr by Molmil
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
5FZJ
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BU of 5fzj by Molmil
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
5FNS
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BU of 5fns by Molmil
Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor.
Descriptor: (3s)-{4-Chloro-3-[(N-methylmethanesulfonamido) methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl) 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 (1.79 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
5FNQ
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BU of 5fnq by Molmil
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
5FZN
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BU of 5fzn by Molmil
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:2024-01-10
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
5FNT
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BU of 5fnt by Molmil
Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor.
Descriptor: (3S)-3-{4-Chloro-3-[(N-methylbenzenesulfonamido) methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl)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 (1.79 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
2JDO
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BU of 2jdo by Molmil
STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY) ETHYLAMINO)ETHYL)AMIDE
Descriptor: 1,2-ETHANEDIOL, 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
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:2023-12-13
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
2JDR
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BU of 2jdr by Molmil
STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH THE INHIBITOR A-443654
Descriptor: (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, GLYCOGEN SYNTHASE KINASE-3 BETA, RAC-BETA SERINE/THREONINE-PROTEIN KINASE
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
2JDV
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BU of 2jdv by Molmil
Structure of PKA-PKB chimera 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:2023-12-13
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
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:2023-12-13
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

 

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