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5XXK
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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
5Z02
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BU of 5z02 by Molmil
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
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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
6AAW
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BU of 6aaw by Molmil
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
6GGN
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BU of 6ggn by Molmil
In vitro and in vivo characterization of a novel, highly potent p53-MDM2 inhibitor
分子名称: (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
著者Kallen, J.
登録日2018-05-03
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献In vitro and in vivo characterization of a novel, highly potent p53-MDM2 inhibitor.
Bioorg. Med. Chem. Lett., 28, 2018
6H22
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Crystal structure of Mdm2 bound to a stapled peptide
分子名称: 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
著者Wang, X, Sharma, K, Spring, D.R, Hyvonen, M.
登録日2018-07-12
公開日2019-07-31
最終更新日2019-09-11
実験手法X-RAY DIFFRACTION (2.006 Å)
主引用文献Water-soluble, stable and azide-reactive strained dialkynes for biocompatible double strain-promoted click chemistry.
Org.Biomol.Chem., 17, 2019
6HFA
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Crystal structure of hDM2 in complex with a C-terminal triurea capped peptide chimera foldamer.
分子名称: E3 ubiquitin-protein ligase Mdm2, LM266, 1-[(2~{S})-2-azanyl-3-methyl-butyl]urea
著者Buratto, J, Mauran, L, Goudreau, S, Fribourg, S, Guichard, G.
登録日2018-08-21
公開日2020-07-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers.
Angew.Chem.Int.Ed.Engl., 2020
6I29
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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
6I3S
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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2024-05-15
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
6IM9
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MDM2 bound CueO-PM2 sensor
分子名称: Blue copper oxidase CueO,PM2 peptide,Blue copper oxidase CueO, E3 ubiquitin-protein ligase Mdm2
著者Wongsantichon, J, Robinson, R, Ghadessy, F.
登録日2018-10-22
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Development and structural characterization of an engineered multi-copper oxidase reporter of protein-protein interactions.
J.Biol.Chem., 294, 2019
6KZU
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BU of 6kzu by Molmil
Macrocyclization of an all-D linear peptide improves target affinity and imparts cellular activity: A novel stapled alpha-helical peptide modality
分子名称: 2JN-DAL-E03-DTY-2JN-DSG-TDF-DGL-MK8-DLE-DLE-2JN, E3 ubiquitin-protein ligase Mdm2
著者Jiang, S, Brown, C.J.
登録日2019-09-25
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Macrocyclization of an all-d linear alpha-helical peptide imparts cellular permeability.
Chem Sci, 11, 2020
6LTH
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BU of 6lth by Molmil
Structure of human BAF Base module
分子名称: AT-rich interactive domain-containing protein 1A, SWI/SNF complex subunit SMARCC2, SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1, ...
著者He, S, Wu, Z, Tian, Y, Yu, Z, Yu, J, Wang, X, Li, J, Liu, B, Xu, Y.
登録日2020-01-22
公開日2020-02-12
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure of nucleosome-bound human BAF complex.
Science, 367, 2020
6LTJ
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Structure of nucleosome-bound human BAF complex
分子名称: AT-rich interactive domain-containing protein 1A, Actin, cytoplasmic 1, ...
著者He, S, Wu, Z, Tian, Y, Yu, Z, Yu, J, Wang, X, Li, J, Liu, B, Xu, Y.
登録日2020-01-22
公開日2020-02-12
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structure of nucleosome-bound human BAF complex.
Science, 367, 2020
6Q96
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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
6Q9H
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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
6Q9L
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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
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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
6T2D
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Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions
分子名称: 2-(methylamino)-~{N}-[[4-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ...
著者Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M.
登録日2019-10-08
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 59, 2020
6T2E
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Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions
分子名称: E3 ubiquitin-protein ligase Mdm2, Stapled peptide GAR300-Gm
著者Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M.
登録日2019-10-08
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 59, 2020
6T2F
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Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions
分子名称: 2-(methylamino)-~{N}-[[3-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide, E3 ubiquitin-protein ligase Mdm2, MDM2 in complex with GAR300-Am
著者Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M.
登録日2019-10-08
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 59, 2020
6V4E
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Crystal Structure Analysis of Zebra Fish MDM
分子名称: Protein Mdm4, Stapled peptide QSQQTF(0EH)NLWRLL(MK8)QN(NH2)
著者Seo, H.-S, Dhe-Paganon, S.
登録日2019-11-27
公開日2020-04-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Identification of a Structural Determinant for Selective Targeting of HDMX.
Structure, 28, 2020
6V4F
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Crystal Structure Analysis of Zebra Fish MDMX
分子名称: Protein Mdm4, SULFATE ION, Stapled Peptide LSQETF(0EH)DLWKLE(MK8)EN(NH2)
著者Seo, H.-S, Dhe-Paganon, S.
登録日2019-11-27
公開日2020-04-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Identification of a Structural Determinant for Selective Targeting of HDMX.
Structure, 28, 2020
6V4G
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Crystal Structure Analysis of Zebra fish MDMX
分子名称: Protein Mdm4, SULFATE ION, Stapled peptide QSQQTF(0EH)NLWRLE(MK8)QN(NH2)
著者Seo, H.-S, Dhe-Paganon, S.
登録日2019-11-27
公開日2020-04-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Identification of a Structural Determinant for Selective Targeting of HDMX.
Structure, 28, 2020
6V4H
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Crystal Structure Analysis of Zebra Fish MDMX
分子名称: Protein Mdm4, Stapled Peptide LSQETF(0EH)DLWKLL(MK8)EN(NH2)
著者Seo, H.-S, Dhe-Paganon, S.
登録日2019-11-27
公開日2020-04-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Identification of a Structural Determinant for Selective Targeting of HDMX.
Structure, 28, 2020
6Y4Q
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Structure of a stapled peptide bound to MDM2
分子名称: ACE-LEU-THR-PHE-GLY-GLU-TYR-TRP-ALA-GLN-LEU-ALA-SER, E3 ubiquitin-protein ligase Mdm2, ~{N}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{N},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide
著者Pantelejevs, T, Bakanovych, I.
登録日2020-02-22
公開日2020-05-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Diarylethene moiety as an enthalpy-entropy switch: photoisomerizable stapled peptides for modulating p53/MDM2 interaction.
Org.Biomol.Chem., 18, 2020

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