PDB: 156 件ウェブページステータス検索Chemie searchBIRD

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6Q9O	HDM2 (17-111, WILDTYPE) COMPLEXED WITH COMPOUND 10 AT 1.21A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes 分子名称: E3 ubiquitin-protein ligase Mdm2, ~{N}-~{tert}-butyl-2-[4-chloranyl-2-[5-(3-chloranyl-4-fluoranyl-phenyl)-2-cyclohexyl-4-(1~{H}-1,2,3,4-tetrazol-5-yl)imidazol-1-yl]phenyl]ethanamide 著者 Kallen, J. 登録日 2018-12-18 公開日 2019-05-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.21 Å) 主引用文献 Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes. Chemmedchem, 14, 2019
6Q9H	HDM2 (17-111, WILD TYPE) COMPLEXED WITH COMPOUND 11 AT 2.0A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes 分子名称: (4~{S})-5-(3-chloranyl-2-fluoranyl-phenyl)-4-(4-chloranyl-2-methyl-phenyl)-3-propan-2-yl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one, E3 ubiquitin-protein ligase Mdm2 著者 Kallen, J. 登録日 2018-12-18 公開日 2019-05-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes. Chemmedchem, 14, 2019
6Q96	HDM2 (17-111, WILD TYPE) COMPLEXED WITH COMPOUND 12 AT 1.8A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes 分子名称: 4-[(4~{S})-5-(5-chloranyl-2-oxidanylidene-1~{H}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile, E3 ubiquitin-protein ligase Mdm2, SULFATE ION 著者 Kallen, J. 登録日 2018-12-17 公開日 2019-05-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes. Chemmedchem, 14, 2019
5SWK	Crystal structure of p53 epitope-scaffold based on a inhibitor of cysteine proteases in complex with human MDM2 分子名称: CHLORIDE ION, De novo protein based on the inhibitor Amoebiasin-1, E3 ubiquitin-protein ligase Mdm2, ... 著者 Jimenez-Sandoval, P, Brieba, L.G. 登録日 2016-08-08 公開日 2017-10-18 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.923 Å) 主引用文献 Mimicking a p53-MDM2 interaction based on a stable immunoglobulin-like domain scaffold. Proteins, 86, 2018
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
5UMM	CRYSTAL STRUCTURE OF HUMAN MDM2 IN COMPLEX WITH 12-MER PEPTIDE INHIBITOR M3 分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, PEPTIDE INHIBITOR M3 著者 Pazgier, M, Gohain, N, Tolbert, W.D. 登録日 2017-01-27 公開日 2018-01-31 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Design of ultrahigh-affinity and dual-specificity peptide antagonists of MDM2 and MDMX for p53 activation To Be Published
1Z1M	NMR structure of unliganded MDM2 分子名称: Ubiquitin-protein ligase E3 Mdm2 著者 Uhrinova, S, Uhrin, D, Powers, H, Watt, K, Zheleva, D, Fischer, P, McInnes, C, Barlow, P.N. 登録日 2005-03-04 公開日 2005-06-28 最終更新日 2022-03-02 実験手法 SOLUTION NMR 主引用文献 Structure of Free MDM2 N-terminal Domain Reveals Conformational Adjustments that Accompany p53-binding J.Mol.Biol., 350, 2005
5VK0	Crystal structure of human MDM2 in complex with a 12-mer lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI 分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, Lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI 著者 Tolbert, W.D, Gohain, N, Pazgier, M. 登録日 2017-04-20 公開日 2018-04-25 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Dithiocarbamate-inspired side chain stapling chemistry for peptide drug design. Chem Sci, 10, 2019
2AXI	HDM2 in complex with a beta-hairpin 分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, SULFATE ION, Ubiquitin-protein ligase E3 Mdm2, ... 著者 Mittl, P.R.E, Fasan, R, Robinson, J, Gruetter, M.G. 登録日 2005-09-05 公開日 2006-03-21 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Structure-Activity Studies in a Family of beta-Hairpin Protein Epitope Mimetic Inhibitors of the p53-HDM2 Protein-Protein Interaction. Chembiochem, 7, 2006
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
5WTS	Green fluorescent protein linked MTide-02 inhibitor in complex with mdm2 分子名称: E3 ubiquitin-protein ligase Mdm2, GLYCEROL, Green fluorescent protein linked MTide-02, ... 著者 Wongsantichon, J, Robinson, R.C, Ghadessy, F.J. 登録日 2016-12-14 公開日 2017-12-20 最終更新日 2020-11-25 実験手法 X-RAY DIFFRACTION (3.004 Å) 主引用文献 Green fluorescent protein linked peptide inhibitor PMI in complex with mdm2 To Be Published
3V3B	Structure of the Stapled p53 Peptide Bound to Mdm2 分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, SAH-p53-8 stapled-peptide 著者 Baek, S, Kutchukian, P.S, Verdine, G.L, Huber, R, Holak, T.A, Ki Won, L, Popowicz, G.M. 登録日 2011-12-13 公開日 2012-01-18 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure of the stapled p53 peptide bound to Mdm2. J.Am.Chem.Soc., 134, 2012
5LAW	Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 14 分子名称: 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 著者 Kessler, D, Gollner, A. 登録日 2016-06-15 公開日 2016-11-02 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 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
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 分子名称: 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, ... 著者 Kessler, D, Gollner, A. 登録日 2016-06-15 公開日 2016-11-02 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 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
5LAV	Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) in complex with compound 6b 分子名称: (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 著者 Kessler, D, Gollner, A. 登録日 2016-06-15 公開日 2016-11-02 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 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
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 分子名称: (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, ... 著者 Kessler, D, Gollner, A. 登録日 2016-06-15 公開日 2016-11-02 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.71 Å) 主引用文献 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
5XXK	Structure-activity studies of Mdm2/Mdm4-binding stapled peptides comprising non-natural amino acids 分子名称: E3 ubiquitin-protein ligase Mdm2, Hydrocarbon stapled peptide THC-SER-PHE-0EH-GLU-TYR-6CW-ALA-LEU-LEU-MK8-NH2 著者 Brown, C.J. 登録日 2017-07-04 公開日 2017-12-27 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 Structure-activity studies of Mdm2/Mdm4-binding stapled peptides comprising non-natural amino acids. PLoS ONE, 12, 2017
3VBG	Structure of hDM2 with Dimer Inducing Indolyl Hydantoin RO-2443 分子名称: (5Z)-5-[(6-chloro-7-methyl-1H-indol-3-yl)methylidene]-3-(3,4-difluorobenzyl)imidazolidine-2,4-dione, E3 ubiquitin-protein ligase Mdm2 著者 Lukacs, C.M, Janson, C.A, Graves, B.J. 登録日 2012-01-02 公開日 2012-06-27 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Activation of the p53 pathway by small-molecule-induced MDM2 and MDMX dimerization. Proc.Natl.Acad.Sci.USA, 109, 2012
5LN2	Discovery of a novel class of highly potent inhibitors of the p53-MDM2 interaction by structure-based design starting from a conformational argument 分子名称: (4~{S})-5-[5-chloranyl-2-[2-(dimethylamino)ethoxy]phenyl]-4-(4-chloranyl-2-methyl-phenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, ... 著者 Kallen, J. 登録日 2016-08-02 公開日 2016-09-07 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Discovery of a novel class of highly potent inhibitors of the p53-MDM2 interaction by structure-based design starting from a conformational argument. Bioorg.Med.Chem.Lett., 26, 2016
3VZV	Crystal structure of human mdm2 with a dihydroimidazothiazole inhibitor 分子名称: 1-{[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]carbonyl}-N,N-dimethyl-L-prolinamide, E3 ubiquitin-protein ligase Mdm2 著者 Shimizu, H, Katakura, S, Miyazaki, M, Naito, H, Sugimoto, Y, Kawato, H, Okayama, T, Soga, T. 登録日 2012-10-16 公開日 2013-02-06 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Lead optimization of novel p53-MDM2 interaction inhibitors possessing dihydroimidazothiazole scaffold Bioorg.Med.Chem.Lett., 23, 2013
3W69	Crystal structure of human mdm2 with a dihydroimidazothiazole inhibitor 分子名称: (5R,6S)-2-[((2S,5R)-2-{[(3R)-4-acetyl-3-methylpiperazin-1-yl]carbonyl}-5-ethylpyrrolidin-1-yl)carbonyl]-5,6-bis(4-chlorophenyl)-3-isopropyl-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole, E3 ubiquitin-protein ligase Mdm2, SULFATE ION 著者 Shimizu, H, Katakura, S, Miyazaki, M, Naito, H, Sugimoto, Y, Kawato, H, Okayama, T, Soga, T. 登録日 2013-02-12 公開日 2013-06-05 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Synthesis and evaluation of novel orally active p53-MDM2 interaction inhibitors Bioorg.Med.Chem., 21, 2013
5Z02	Crystal structure of HIS6-tagged Mdm2 with nutlin-3a 分子名称: 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 著者 Su, Z.D, Cheng, X.Y, Chen, R, Pi, N. 登録日 2017-12-18 公開日 2018-01-03 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Crystal structure of HIS6-tagged Mdm2 with nutlin-3a to be published
5HMI	HDM2 in complex with a 3,3-Disubstituted Piperidine 分子名称: 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 著者 Scapin, G. 登録日 2016-01-16 公開日 2016-04-06 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors. Acs Med.Chem.Lett., 7, 2016
5HMH	HDM2 in complex with a 3,3-Disubstituted Piperidine 分子名称: 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 著者 Scapin, G. 登録日 2016-01-16 公開日 2016-04-06 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors. Acs Med.Chem.Lett., 7, 2016
5ZXF	The 1.25A Crystal structure of His6-tagged Mdm2 in complex with nutlin-3a 分子名称: 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 著者 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. 登録日 2018-05-19 公開日 2018-08-22 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 The 1.25A Crystal structure of His6-tagged Mdm2 in complex with nutlin-3a To Be Published

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