5VK0
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2RUH
| Chemical Shift Assignments for MIP and MDM2 in bound state | Descriptor: | E3 ubiquitin-protein ligase Mdm2 | Authors: | Nagata, T, Shirakawa, K, Kobayashi, N, Shiheido, H, Horisawa, K, Katahira, M, Doi, N, Yanagawa, H. | Deposit date: | 2014-06-03 | Release date: | 2014-10-15 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structural Basis for Inhibition of the MDM2:p53 Interaction by an Optimized MDM2-Binding Peptide Selected with mRNA Display Plos One, 9, 2014
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4QOC
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4QO4
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5WTS
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5LAW
| Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 14 | Descriptor: | 2-[(3~{S},3'~{a}~{S},6'~{S},6'~{a}~{S})-6-chloranyl-6'-(3-chlorophenyl)-4'-(cyclopropylmethyl)-2-oxidanylidene-spiro[1~{H}-indole-3,5'-3,3~{a},6,6~{a}-tetrahydro-2~{H}-pyrrolo[3,2-b]pyrrole]-1'-yl]ethanoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Kessler, D, Gollner, A. | Deposit date: | 2016-06-15 | Release date: | 2016-11-02 | Last modified: | 2019-09-25 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction. J. Med. Chem., 59, 2016
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5LAZ
| Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND BI-0252 | Descriptor: | 4-[(2~{R},3~{a}~{S},5~{S},6~{S},6~{a}~{S})-6'-chloranyl-6-(3-chloranyl-2-fluoranyl-phenyl)-4-(cyclopropylmethyl)-2'-oxidanylidene-spiro[1,2,3,3~{a},6,6~{a}-hexahydropyrrolo[3,2-b]pyrrole-5,3'-1~{H}-indole]-2-yl]benzoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION, ... | Authors: | Kessler, D, Gollner, A. | Deposit date: | 2016-06-15 | Release date: | 2016-11-02 | Last modified: | 2019-06-12 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction. J. Med. Chem., 59, 2016
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5LAV
| Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) in complex with compound 6b | Descriptor: | (3~{S},3'~{S},4'~{S})-4'-azanyl-6-chloranyl-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Kessler, D, Gollner, A. | Deposit date: | 2016-06-15 | Release date: | 2016-11-02 | Last modified: | 2018-04-25 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction. J. Med. Chem., 59, 2016
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5LAY
| Discovery of New Natural-product-inspired Spiro-oxindole Compounds as Orally Active Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 6g | Descriptor: | (3~{S},3'~{S},4'~{S},5'~{S})-4'-azanyl-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-[(3-ethoxyphenyl)methyl]-5'-methyl-spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ... | Authors: | Kessler, D, Gollner, A. | Deposit date: | 2016-06-15 | Release date: | 2016-11-02 | Last modified: | 2019-06-12 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction. J. Med. Chem., 59, 2016
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5HMI
| HDM2 in complex with a 3,3-Disubstituted Piperidine | Descriptor: | E3 ubiquitin-protein ligase Mdm2, SULFATE ION, {4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2R,3S)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]methanone | Authors: | Scapin, G. | Deposit date: | 2016-01-16 | Release date: | 2016-04-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors. Acs Med.Chem.Lett., 7, 2016
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5LN2
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5HMH
| HDM2 in complex with a 3,3-Disubstituted Piperidine | Descriptor: | 4-[2-(4-{[(2R,3S)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]carbonyl}piperazin-1-yl)phenoxy]butanoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Scapin, G. | Deposit date: | 2016-01-16 | Release date: | 2016-04-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors. Acs Med.Chem.Lett., 7, 2016
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5HMK
| HDM2 in complex with a 3,3-Disubstituted Piperidine | Descriptor: | E3 ubiquitin-protein ligase Mdm2, {4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}piperidin-3-yl]methanone | Authors: | Scapin, G. | Deposit date: | 2016-01-16 | Release date: | 2016-04-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors. Acs Med.Chem.Lett., 7, 2016
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5XXK
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5J7F
| Structure of MDM2 with low molecular weight inhibitor with aliphatic linker. | Descriptor: | 4-({6-[(6-chloro-3-{1-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl}-1H-indole-2-carbonyl)oxy]hexyl}amino)-4-oxobutanoic acid, E3 ubiquitin-protein ligase Mdm2 | Authors: | Twarda-Clapa, A, Kubica, K, Guzik, K, Dubin, G, Holak, T.A. | Deposit date: | 2016-04-06 | Release date: | 2017-05-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 1,4,5-Trisubstituted Imidazole-Based p53-MDM2/MDMX Antagonists with Aliphatic Linkers for Conjugation with Biological Carriers. J. Med. Chem., 60, 2017
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5J7G
| Structure of MDM2 with low molecular weight inhibitor with aliphatic linker. | Descriptor: | 4-({6-[(6-chloro-3-{1-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl}-1H-indole-2-carbonyl)oxy]hexyl}amino)-4-oxobutanoic acid, E3 ubiquitin-protein ligase Mdm2 | Authors: | Twarda-Clapa, A, Kubica, K, Guzik, K, Dubin, G, Holak, T.A. | Deposit date: | 2016-04-06 | Release date: | 2017-05-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 1,4,5-Trisubstituted Imidazole-Based p53-MDM2/MDMX Antagonists with Aliphatic Linkers for Conjugation with Biological Carriers. J. Med. Chem., 60, 2017
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5Z02
| Crystal structure of HIS6-tagged Mdm2 with nutlin-3a | Descriptor: | 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, E3 ubiquitin-protein ligase Mdm2 | Authors: | Su, Z.D, Cheng, X.Y, Chen, R, Pi, N. | Deposit date: | 2017-12-18 | Release date: | 2018-01-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal structure of HIS6-tagged Mdm2 with nutlin-3a to be published
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4UMN
| Structure of a stapled peptide antagonist bound to Nutlin-resistant Mdm2. | Descriptor: | E3 ubiquitin-protein ligase Mdm2, M06 | Authors: | Chee, S, Wongsantichon, J, Quah, S, Robinson, R.C, Verma, C, Lane, D.P, Brown, C.J, Ghadessy, F.J. | Deposit date: | 2014-05-20 | Release date: | 2014-05-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure of a stapled peptide antagonist bound to nutlin-resistant Mdm2. PLoS ONE, 9, 2014
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4UD7
| Structure of the stapled peptide YS-02 bound to MDM2 | Descriptor: | MDM2, YS-02 | Authors: | Tan, Y.S, Reeks, J, Brown, C.J, Jennings, C.E, Eapen, R.S, Tng, Q.S, Thean, D, Ying, Y.T, Gago, F.J.F, Lane, D.P, Noble, M.E.M, Verma, C. | Deposit date: | 2014-12-08 | Release date: | 2016-01-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design. J Phys Chem Lett, 7, 2016
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4UE1
| Structure of the stapled peptide YS-01 bound to MDM2 | Descriptor: | E3 UBIQUITIN-PROTEIN LIGASE MDM2, YS-01 | Authors: | Tan, Y.S, Reeks, J, Brown, C.J, Jennings, C.E, Eapen, R.S, Tng, Q.S, Thean, D, Ying, Y.T, Gago, F.J.F, Lane, D.P, Noble, M.E.M, Verma, C. | Deposit date: | 2014-12-14 | Release date: | 2016-01-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design. J Phys Chem Lett, 7, 2016
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5ZXF
| The 1.25A Crystal structure of His6-tagged Mdm2 in complex with nutlin-3a | Descriptor: | 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, E3 ubiquitin-protein ligase Mdm2 | Authors: | Cheng, X.Y, Su, Z.D, Pi, N, Cao, C.Z, Zhao, Z.T, Zhou, J.J, Chen, R, Kuang, Z.K, Huang, Y.Q. | Deposit date: | 2018-05-19 | Release date: | 2018-08-22 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The 1.25A Crystal structure of His6-tagged Mdm2 in complex with nutlin-3a To Be Published
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6AAW
| Mdm2 in complex with a D amino Acid Containing Stapled Peptide | Descriptor: | ACE-LEU-THR-PHE-STQ-GLU-TYR-DTR-GLN-LEU-CBA-MK8-SER-ALA-ALA, E3 ubiquitin-protein ligase Mdm2 | Authors: | Brown, C.J, Partridge, A.W. | Deposit date: | 2018-07-19 | Release date: | 2019-07-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Model System to Explore Macrocyclic Peptide Structural and Chirality Relationships: Tolerance of helix-breaking residues within the context of a stapled peptide. To Be Published
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7KJM
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6GGN
| In vitro and in vivo characterization of a novel, highly potent p53-MDM2 inhibitor | Descriptor: | (4~{S})-4-(4-chloranyl-2-methyl-phenyl)-5-(5-chloranyl-2-methyl-phenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-d]imidazol-6-one, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2 | Authors: | Kallen, J. | Deposit date: | 2018-05-03 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | In vitro and in vivo characterization of a novel, highly potent p53-MDM2 inhibitor. Bioorg. Med. Chem. Lett., 28, 2018
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6H22
| Crystal structure of Mdm2 bound to a stapled peptide | Descriptor: | 12-(dimethylamino)-3,10-diethyl-N,N,N-trimethyl-3,10-dihydrodibenzo[3,4:7,8]cycloocta[1,2-d:5,6-d']bis([1,2,3]triazole)-5-aminium, E3 ubiquitin-protein ligase Mdm2, Stapled peptide | Authors: | Wang, X, Sharma, K, Spring, D.R, Hyvonen, M. | Deposit date: | 2018-07-12 | Release date: | 2019-07-31 | Last modified: | 2019-09-11 | Method: | X-RAY DIFFRACTION (2.006 Å) | Cite: | Water-soluble, stable and azide-reactive strained dialkynes for biocompatible double strain-promoted click chemistry. Org.Biomol.Chem., 17, 2019
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