7NA1
 
 | | HDM2 in complex with compound 2 | | 分子名称: | 8-(1-benzothiophen-5-yl)-7-[(4-chlorophenyl)methyl]-6-{[(1R)-1-cyclopropylethyl]amino}-7H-purine-2-carboxylic acid, CITRIC ACID, E3 ubiquitin-protein ligase Mdm2, ... | | 著者 | Scapin, G. | | 登録日 | 2021-06-19 | | 公開日 | 2021-11-10 | | 最終更新日 | 2021-11-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7NA3
 | | HDM2 in complex with compound 62 | | 分子名称: | 3-[4-(5-chloropyridin-3-yl)-2-[(2S)-1-methoxypropan-2-yl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one, Isoform 11 of E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | 著者 | Scapin, G. | | 登録日 | 2021-06-19 | | 公開日 | 2021-11-10 | | 最終更新日 | 2021-11-24 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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5TRF
 | | MDM2 in complex with SAR405838 | | 分子名称: | (2'S,3R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ... | | 著者 | Meagher, J.L, Stuckey, J.A. | | 登録日 | 2016-10-26 | | 公開日 | 2016-11-09 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | SAR405838: an optimized inhibitor of MDM2-p53 interaction that induces complete and durable tumor regression.
Cancer Res., 74, 2014
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5J7F
 | | Structure of MDM2 with low molecular weight inhibitor with aliphatic linker. | | 分子名称: | 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 | | 著者 | Twarda-Clapa, A, Kubica, K, Guzik, K, Dubin, G, Holak, T.A. | | 登録日 | 2016-04-06 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 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. | | 分子名称: | 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 | | 著者 | Twarda-Clapa, A, Kubica, K, Guzik, K, Dubin, G, Holak, T.A. | | 登録日 | 2016-04-06 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | 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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5UMM
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4UMN
 | | Structure of a stapled peptide antagonist bound to Nutlin-resistant Mdm2. | | 分子名称: | E3 ubiquitin-protein ligase Mdm2, M06 | | 著者 | Chee, S, Wongsantichon, J, Quah, S, Robinson, R.C, Verma, C, Lane, D.P, Brown, C.J, Ghadessy, F.J. | | 登録日 | 2014-05-20 | | 公開日 | 2014-05-28 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | 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 | | 分子名称: | MDM2, YS-02 | | 著者 | 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. | | 登録日 | 2014-12-08 | | 公開日 | 2016-01-13 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | 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 | | 分子名称: | E3 UBIQUITIN-PROTEIN LIGASE MDM2, YS-01 | | 著者 | 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. | | 登録日 | 2014-12-14 | | 公開日 | 2016-01-13 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design.
J Phys Chem Lett, 7, 2016
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5VK0
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5WTS
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6I29
 | | X-ray structure of the p53-MDM2 inhibitor NMI801 bound to HDM2 at 2.1A resolution | | 分子名称: | 6-chloranyl-3-[3-[(1~{S})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{N}-[2-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]pyridin-3-yl]-1~{H}-indole-2-carboxamide, Human E3 Ubiquitin-Protein Ligase MDM2 | | 著者 | Kallen, J. | | 登録日 | 2018-11-01 | | 公開日 | 2019-11-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | p53 dynamics vary between tissues and are linked with radiation sensitivity
To be published
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6I3S
 | | Crystal structure of MDM2 in complex with compound 13. | | 分子名称: | (3~{S},3'~{R},3'~{a}~{S},6'~{a}~{R})-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-(cyclopropylmethyl)spiro[1~{H}-indole-3,2'-3~{a},6~{a}-dihydro-3~{H}-pyrrolo[3,4-b]pyrrole]-2,4'-dione, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ... | | 著者 | Bader, G, Kessler, D. | | 登録日 | 2018-11-07 | | 公開日 | 2018-12-19 | | 最終更新日 | 2019-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Targeted Synthesis of Complex Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-ones by Intramolecular Cyclization of Azomethine Ylides: Highly Potent MDM2-p53 Inhibitors.
ChemMedChem, 14, 2019
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6KZU
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4WT2
 | | Co-crystal Structure of MDM2 in Complex with AM-7209 | | 分子名称: | 4-({[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetyl}amino)-2-methoxybenzoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | 著者 | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | | 登録日 | 2014-10-30 | | 公開日 | 2014-12-03 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Discovery of AM-7209, a Potent and Selective 4-Amidobenzoic Acid Inhibitor of the MDM2-p53 Interaction.
J.Med.Chem., 57, 2014
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7BJ6
 | | Inhibitor of MDM2-p53 Interaction | | 分子名称: | (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, ... | | 著者 | Williams, P.A. | | 登録日 | 2021-01-14 | | 公開日 | 2021-04-07 | | 最終更新日 | 2021-04-21 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7BJ0
 | | Inhibitor of MDM2-p53 Interaction | | 分子名称: | (3~{R})-4-chloranyl-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-2-[(4-nitrophenyl)methyl]isoindol-1-one, E3 ubiquitin-protein ligase Mdm2 | | 著者 | Williams, P.A. | | 登録日 | 2021-01-13 | | 公開日 | 2021-04-07 | | 最終更新日 | 2021-04-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7BMG
 | | Inhibitor of MDM2-p53 Interaction | | 分子名称: | (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 | | 著者 | Williams, P.A. | | 登録日 | 2021-01-20 | | 公開日 | 2021-04-07 | | 最終更新日 | 2021-04-21 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7BIR
 | | Inhibitor of MDM2-p53 Interaction | | 分子名称: | 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 | | 著者 | Williams, P.A. | | 登録日 | 2021-01-13 | | 公開日 | 2021-04-07 | | 最終更新日 | 2021-04-21 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7BIT
 | | Inhibitor of MDM2-p53 Interaction | | 分子名称: | (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 | | 著者 | Williams, P.A. | | 登録日 | 2021-01-13 | | 公開日 | 2021-04-07 | | 最終更新日 | 2021-04-21 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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7BIV
 | | Inhibitor of MDM2-p53 Interaction | | 分子名称: | 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, ... | | 著者 | Williams, P.A. | | 登録日 | 2021-01-13 | | 公開日 | 2021-04-07 | | 最終更新日 | 2021-04-21 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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3TJ2
 | | Structure of a novel submicromolar MDM2 inhibitor | | 分子名称: | 3-{(1S)-2-(tert-butylamino)-1-[(4-chlorobenzyl)(formyl)amino]-2-oxoethyl}-6-chloro-1H-indole-2-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, POTASSIUM ION | | 著者 | Wolf, S, Huang, Y, Popowicz, G.M, Goda, S, Holak, T.A, Doemling, A. | | 登録日 | 2011-08-23 | | 公開日 | 2012-09-12 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Ugi Multicomponent Reaction Derived p53-Mdm2 Antagonists
To be published
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3TPX
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4ZFI
 | | Structure of Mdm2 with low molecular weight inhibitor | | 分子名称: | (5S)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-5-hydroxy-1-methyl-1,5-dihydro-2H-pyrrol-2-one, E3 ubiquitin-protein ligase Mdm2 | | 著者 | Zak, K.M, Twarda-Clapa, A, Wrona, E.M, Grudnik, P, Dubin, G, Holak, T.A. | | 登録日 | 2015-04-21 | | 公開日 | 2016-10-19 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A Unique Mdm2-Binding Mode of the 3-Pyrrolin-2-one- and 2-Furanone-Based Antagonists of the p53-Mdm2 Interaction.
ACS Chem. Biol., 11, 2016
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3TU1
 | | Exhaustive Fluorine Scanning towards Potent p53-MDM2 Antagonist | | 分子名称: | 2-(tert-butylamino)-1-(2-carboxy-6-chloro-1H-indol-3-yl)-1-[(3,4-difluorobenzyl)(formyl)amino]-2-oxoethylium, E3 ubiquitin-protein ligase Mdm2 | | 著者 | Wolf, S, Huang, Y, Koes, D, Popowicz, G.M, Camacho, C.J, Holak, T.A, Doemling, A. | | 登録日 | 2011-09-15 | | 公開日 | 2011-11-02 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.603 Å) | | 主引用文献 | Exhaustive Fluorine Scanning toward Potent p53-Mdm2 Antagonists.
Chemmedchem, 7, 2012
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