3G7K
| |
2G9X
| |
7BJ6
| 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: | 2021-04-21 | 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
|
|
7BJ0
| 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: | 2021-04-21 | 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
| 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: | 2021-04-21 | 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
|
|
7BIR
| 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: | 2021-04-21 | 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
|
|
7BIT
| 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: | 2021-04-21 | 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
|
|
7BIV
| 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: | 2021-04-21 | 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
|
|
5M55
| Nek2 bound to arylaminopurine 71 | Descriptor: | 6-[(~{Z})-2-(diethylamino)ethenyl]-~{N}-phenyl-7~{H}-purin-2-amine, CHLORIDE ION, SULFATE ION, ... | Authors: | Bayliss, R. | Deposit date: | 2016-10-20 | Release date: | 2016-11-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-guided design of purine-based probes for selective Nek2 inhibition. Oncotarget, 8, 2017
|
|
5LRQ
| 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
|
|
5M51
| Nek2 bound to arylaminopurine compound 8 | Descriptor: | 3-[[6-(cyclohexylmethoxy)-9~{H}-purin-2-yl]amino]benzamide, Serine/threonine-protein kinase Nek2 | Authors: | Bayliss, R, Yeoh, S. | Deposit date: | 2016-10-20 | Release date: | 2016-11-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Structure-guided design of purine-based probes for selective Nek2 inhibition. Oncotarget, 8, 2017
|
|
5M53
| Nek2 bound to arylaminopurine inhibitor 11 | Descriptor: | 1,2-ETHANEDIOL, 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N},~{N}-dimethyl-benzamide, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bayliss, R, Carr, K.H. | Deposit date: | 2016-10-20 | Release date: | 2016-11-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-guided design of purine-based probes for selective Nek2 inhibition. Oncotarget, 8, 2017
|
|
5M57
| Nek2 bound to arylaminopurine 6 | Descriptor: | O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE, Serine/threonine-protein kinase Nek2 | Authors: | Bayliss, R. | Deposit date: | 2016-10-20 | Release date: | 2016-11-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-guided design of purine-based probes for selective Nek2 inhibition. Oncotarget, 8, 2017
|
|
7ZPC
| CDK2 in complex 9K-DOS | Descriptor: | Cyclin-dependent kinase 2, ~{N}-(1-methylpyrazol-4-yl)-5-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxamide | Authors: | Watt, J.E, Martin, M.P, Noble, M.E.N. | Deposit date: | 2022-04-27 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Build-Couple-Transform: A Paradigm for Lead-like Library Synthesis with Scaffold Diversity. J.Med.Chem., 65, 2022
|
|
6SGK
| Nek2 kinase bound to inhibitor 102 | Descriptor: | 2-phenylazanyl-9~{H}-purine-6-carbonitrile, Serine/threonine-protein kinase Nek2 | Authors: | Richards, M.W, Mas-Droux, C.P, Bayliss, R. | Deposit date: | 2019-08-05 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2-Arylamino-6-ethynylpurines are cysteine-targeting irreversible inhibitors of Nek2 kinase. Rsc Med Chem, 11, 2020
|
|
6SGD
| Nek2 kinase covalently bound to 2-arylamino-6-ethynylpurine inhibitor 24 | Descriptor: | 4-[(6-ethenyl-7~{H}-purin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, SODIUM ION, ... | Authors: | Richards, M.W, Mas-Droux, C.P, Bayliss, R. | Deposit date: | 2019-08-04 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2-Arylamino-6-ethynylpurines are cysteine-targeting irreversible inhibitors of Nek2 kinase. Rsc Med Chem, 11, 2020
|
|
6SGI
| Nek2 kinase bound to inhibitor 96 | Descriptor: | 4-[(6-ethyl-7~{H}-purin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, Serine/threonine-protein kinase Nek2 | Authors: | Richards, M.W, Mas-Droux, C.P, Bayliss, R. | Deposit date: | 2019-08-05 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 2-Arylamino-6-ethynylpurines are cysteine-targeting irreversible inhibitors of Nek2 kinase. Rsc Med Chem, 11, 2020
|
|
6SGH
| |
7PUS
| ERK5 in complex with Pyrrole Carboxamide scaffold | Descriptor: | 4-[3,6-bis(chloranyl)-2-fluoranyl-phenyl]carbonyl-~{N}-(1-methylpyrazol-4-yl)-1~{H}-pyrrole-2-carboxamide, Mitogen-activated protein kinase 7 | Authors: | Tucker, J.A, Martin, M.P, Endicott, J.A, Noble, M.E.N. | Deposit date: | 2021-09-30 | Release date: | 2022-05-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Parallel Optimization of Potency and Pharmacokinetics Leading to the Discovery of a Pyrrole Carboxamide ERK5 Kinase Domain Inhibitor. J.Med.Chem., 65, 2022
|
|