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5N53
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BU of 5n53 by Molmil
Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with N-(3-chloro-4-methoxyphenyl) acetamide
Descriptor: D-3-phosphoglycerate dehydrogenase, ~{N}-(3-chloranyl-4-methoxy-phenyl)ethanamide
Authors:Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J.
Deposit date:2017-02-12
Release date:2017-04-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
Oncotarget, 9, 2018
5NZQ
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BU of 5nzq by Molmil
Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 3-(1,3-oxazol-5-yl)aniline.
Descriptor: 3-(1,3-oxazol-5-yl)aniline, D-3-phosphoglycerate dehydrogenase
Authors:Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J.
Deposit date:2017-05-14
Release date:2017-06-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
Oncotarget, 9, 2018
5NZP
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BU of 5nzp by Molmil
Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 3-Hydroxybenzisoxazole
Descriptor: 1,2-benzoxazol-3-ol, D-3-phosphoglycerate dehydrogenase
Authors:Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J.
Deposit date:2017-05-14
Release date:2017-06-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
Oncotarget, 9, 2018
5OFV
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BU of 5ofv by Molmil
Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 5-fluoro-2-methylbenzoic acid
Descriptor: 5-fluoranyl-2-methyl-benzoic acid, D-3-phosphoglycerate dehydrogenase
Authors:Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J.
Deposit date:2017-07-11
Release date:2017-08-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
Oncotarget, 9, 2018
5NZO
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BU of 5nzo by Molmil
Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 1-methyl-3-phenyl-1H-pyrazol-5-amine
Descriptor: 2-methyl-5-phenyl-pyrazol-3-amine, D-3-phosphoglycerate dehydrogenase
Authors:Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J.
Deposit date:2017-05-14
Release date:2017-06-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
Oncotarget, 9, 2018
5OFW
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BU of 5ofw by Molmil
Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 3-Chloro-4-fluorobenzamide
Descriptor: 3-chloranyl-4-fluoranyl-benzamide, D-3-phosphoglycerate dehydrogenase
Authors:Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J.
Deposit date:2017-07-11
Release date:2017-08-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
Oncotarget, 9, 2018
5OFM
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BU of 5ofm by Molmil
Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 5-amino-1-methyl-1H-indole
Descriptor: 1-methylindol-5-amine, D-3-phosphoglycerate dehydrogenase
Authors:Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J.
Deposit date:2017-07-11
Release date:2017-08-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 5-amino-1-methyl-1H-indole
To be published
5LRQ
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BU of 5lrq by Molmil
BRD4 in complex with ERK5 inhibitor XMD8-92
Descriptor: 2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4
Authors:Martin, M.P, Noble, M.E.M.
Deposit date:2016-08-19
Release date:2017-08-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38 alpha and BRD4.
Eur.J.Med.Chem., 178, 2019
7BJ6
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BU of 7bj6 by Molmil
Inhibitor of MDM2-p53 Interaction
Descriptor: (3~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Williams, P.A.
Deposit date:2021-01-14
Release date:2021-04-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
7BIT
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BU of 7bit by Molmil
Inhibitor of MDM2-p53 Interaction
Descriptor: (3~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[(1-oxidanylcyclopropyl)methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Williams, P.A.
Deposit date:2021-01-13
Release date:2021-04-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
7BJ0
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BU of 7bj0 by Molmil
Inhibitor of MDM2-p53 Interaction
Descriptor: (3~{R})-4-chloranyl-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-2-[(4-nitrophenyl)methyl]isoindol-1-one, E3 ubiquitin-protein ligase Mdm2
Authors:Williams, P.A.
Deposit date:2021-01-13
Release date:2021-04-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
7BMG
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BU of 7bmg by Molmil
Inhibitor of MDM2-p53 Interaction
Descriptor: (3~{R})-3-(4-chlorophenyl)-2-[(4-ethynylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one, 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase Mdm2
Authors:Williams, P.A.
Deposit date:2021-01-20
Release date:2021-04-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
7BIV
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BU of 7biv by Molmil
Inhibitor of MDM2-p53 Interaction
Descriptor: 1,2-ETHANEDIOL, 6-[[(1~{R})-1-(4-chlorophenyl)-7-fluoranyl-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-2-yl]methyl]pyridine-3-carbonitrile, DIMETHYL SULFOXIDE, ...
Authors:Williams, P.A.
Deposit date:2021-01-13
Release date:2021-04-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
7BIR
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BU of 7bir by Molmil
Inhibitor of MDM2-p53 Interaction
Descriptor: 1-[[(1~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-1-(4-chlorophenyl)-7-fluoranyl-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Williams, P.A.
Deposit date:2021-01-13
Release date:2021-04-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
5O7I
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BU of 5o7i by Molmil
ERK5 in complex with a pyrrole inhibitor
Descriptor: 4-(2-bromanyl-6-fluoranyl-phenyl)carbonyl-~{N}-pyridin-3-yl-1~{H}-pyrrole-2-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 7
Authors:Tucker, J.A, Heptinstall, A, Myers, S.
Deposit date:2017-06-08
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38 alpha and BRD4.
Eur.J.Med.Chem., 178, 2019

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