PDB: 155 件ウェブページステータス検索Chemie searchBIRD

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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
2M86	Solution structure of Hdm2 with engineered cyclotide 分子名称: E3 ubiquitin-protein ligase Mdm2, MCo-PMI 著者 Majumder, S, Ji, Y, Millard, M, Borra, R, Bi, T, Elnagar, A.Y, Neamati, N, Camarero, J.A. 登録日 2013-05-07 公開日 2013-07-31 最終更新日 2023-06-14 実験手法 SOLUTION NMR 主引用文献 In Vivo Activation of the p53 Tumor Suppressor Pathway by an Engineered Cyclotide. J.Am.Chem.Soc., 135, 2013
2MPS	Structure of complex of MDM2(3-109) and P73 TAD(10-25) 分子名称: E3 ubiquitin-protein ligase Mdm2, Tumor protein p73 著者 Shin, J.S, Ha, J.H, Chi, S.W. 登録日 2014-06-02 公開日 2015-06-03 最終更新日 2023-06-14 実験手法 SOLUTION NMR 主引用文献 Structural convergence of unstructured p53 family transactivation domains in MDM2 recognition Cell Cycle, 14, 2015
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
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
6Q9L	HDM2 (17-111, WILDTYPE) COMPLEXED WITH COMPOUND 9 AT 1.13A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes 分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, [6-chloranyl-3-[3-[[4-chloranyl-2-(hydroxymethyl)phenyl]methyl]-5-phenyl-imidazol-4-yl]-1~{H}-indol-2-yl]-[(3~{S})-3-[3-(dimethylamino)propyl-methyl-amino]pyrrolidin-1-yl]methanone 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 (1.13 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
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
6AAW	Mdm2 in complex with a D amino Acid Containing Stapled Peptide 分子名称: ACE-LEU-THR-PHE-STQ-GLU-TYR-DTR-GLN-LEU-CBA-MK8-SER-ALA-ALA, E3 ubiquitin-protein ligase Mdm2 著者 Brown, C.J, Partridge, A.W. 登録日 2018-07-19 公開日 2019-07-24 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 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
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
2RUH	Chemical Shift Assignments for MIP and MDM2 in bound state 分子名称: E3 ubiquitin-protein ligase Mdm2 著者 Nagata, T, Shirakawa, K, Kobayashi, N, Shiheido, H, Horisawa, K, Katahira, M, Doi, N, Yanagawa, H. 登録日 2014-06-03 公開日 2014-10-15 最終更新日 2023-06-14 実験手法 SOLUTION NMR 主引用文献 Structural Basis for Inhibition of the MDM2:p53 Interaction by an Optimized MDM2-Binding Peptide Selected with mRNA Display Plos One, 9, 2014
4QOC	crystal structure of compound 16 bound to MDM2(17-111), {(3R,5R,6S)-5-(3-CHLOROPHENYL)-6-(4-CHLOROPHENYL)-1-[(1S)-1-CYCLOPROPYL-2-(PYRROLIDIN-1-YLSULFONYL)ETHYL]-3-METHYL-2-OXOPIPERIDIN-3-YL}ACETIC ACID 分子名称: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-cyclopropyl-2-(pyrrolidin-1-ylsulfonyl)ethyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid 著者 Huang, X. 登録日 2014-06-19 公開日 2015-05-06 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Optimization beyond AMG 232: discovery and SAR of sulfonamides on a piperidinone scaffold as potent inhibitors of the MDM2-p53 protein-protein interaction. Bioorg.Med.Chem.Lett., 24, 2014
4QO4	co-crystal structure of MDM2 (17-111) with compound 16, {(3R,5R,6S)-5-(3-CHLOROPHENYL)-6-(4-CHLOROPHENYL)-1-[(1S)-1-(6-CYCLOPROPYLPYRIDIN-2-YL)PROPYL]-3-METHYL-2-OXOPIPERIDIN-3-YL}ACETIC ACID 分子名称: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-(6-cyclopropylpyridin-2-yl)propyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid 著者 Huang, X. 登録日 2014-06-19 公開日 2014-07-16 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Discovery of Potent and Simplified Piperidinone-Based Inhibitors of the MDM2-p53 Interaction. ACS Med Chem Lett, 5, 2014
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
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 2019-09-25 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 2019-06-12 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 2018-04-25 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 2019-06-12 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
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
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
5HMK	HDM2 in complex with a 3,3-Disubstituted Piperidine 分子名称: 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 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 (2.17 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
7NUS	X-RAY STRUCTURE OF HDM2/CMR19 AT 1.45A: Discovery, X-ray structure and CPP-conjugation enabled uptake of p53/MDM2 macrocyclic peptide inhibitors 分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, SULFATE ION, ... 著者 Kallen, J. 登録日 2021-03-13 公開日 2021-09-22 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Discovery, X-ray structure and CPP-conjugation enabled uptake of p53/MDM2 macrocyclic peptide inhibitors. Rsc Chem Biol, 2, 2021
7NA4	HDM2 in complex with compound 63 分子名称: 3-[4-(5-chloropyridin-3-yl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one, CHLORIDE ION, GLYCEROL, ... 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 (1.84 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
7NA2	HDM2 in complex with compound 56 分子名称: 3-[4-(5-chloropyridin-3-yl)-2-[(4aR,7aR)-hexahydrocyclopenta[b][1,4]oxazin-4(4aH)-yl]-3-{[(1r,4R)-4-methylcyclohexyl]methyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one, Isoform 11 of 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 (1.86 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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