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6T2E
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Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions
Descriptor: E3 ubiquitin-protein ligase Mdm2, Stapled peptide GAR300-Gm
Authors:Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M.
Deposit date:2019-10-08
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 2-(methylamino)-~{N}-[[3-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide, E3 ubiquitin-protein ligase Mdm2, MDM2 in complex with GAR300-Am
Authors:Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M.
Deposit date:2019-10-08
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 59, 2020
6T2D
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Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions
Descriptor: 2-(methylamino)-~{N}-[[4-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ...
Authors:Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M.
Deposit date:2019-10-08
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 59, 2020
3G03
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BU of 3g03 by Molmil
Structure of human MDM2 in complex with high affinity peptide
Descriptor: E3 ubiquitin-protein ligase Mdm2, High affinity synthetic peptide
Authors:Czarna, A.L, Popowicz, G.M, Holak, T.A.
Deposit date:2009-01-27
Release date:2009-04-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High affinity interaction of the p53 peptide-analogue with human Mdm2 and Mdmx.
Cell Cycle, 8, 2009
4ERF
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crystal structure of MDM2 (17-111) in complex with compound 29 (AM-8553)
Descriptor: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
Authors:Huang, X.
Deposit date:2012-04-20
Release date:2012-05-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
4DIJ
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BU of 4dij by Molmil
The Central Valine Concept Provides an Entry in a New Class of Non Peptide Inhibitors of the P53-MDM2 Interaction
Descriptor: 6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-N-[2-(morpholin-4-yl)ethyl]-1H-indole-2-carboxamide, E3 ubiquitin-protein ligase Mdm2
Authors:Kallen, J.
Deposit date:2012-01-31
Release date:2012-05-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The central valine concept provides an entry in a new class of non peptide inhibitors of the p53-MDM2 interaction.
Bioorg.Med.Chem.Lett., 22, 2012
3EQS
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BU of 3eqs by Molmil
Crystal structure of human MDM2 in complex with a 12-mer peptide inhibitor
Descriptor: 12-mer peptide inhibitor, E3 ubiquitin-protein ligase Mdm2, GUANIDINE
Authors:Pazgier, M, Lu, W.
Deposit date:2008-10-01
Release date:2009-03-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis for high-affinity peptide inhibition of p53 interactions with MDM2 and MDMX.
Proc.Natl.Acad.Sci.USA, 106, 2009
4ERE
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BU of 4ere by Molmil
crystal structure of MDM2 (17-111) in complex with compound 23
Descriptor: E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(3R,5R,6S)-1-[(2S)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid
Authors:Huang, X.
Deposit date:2012-04-20
Release date:2012-05-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
2MPS
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BU of 2mps by Molmil
Structure of complex of MDM2(3-109) and P73 TAD(10-25)
Descriptor: E3 ubiquitin-protein ligase Mdm2, Tumor protein p73
Authors:Shin, J.S, Ha, J.H, Chi, S.W.
Deposit date:2014-06-02
Release date:2015-06-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural convergence of unstructured p53 family transactivation domains in MDM2 recognition
Cell Cycle, 14, 2015
2M86
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Solution structure of Hdm2 with engineered cyclotide
Descriptor: E3 ubiquitin-protein ligase Mdm2, MCo-PMI
Authors:Majumder, S, Ji, Y, Millard, M, Borra, R, Bi, T, Elnagar, A.Y, Neamati, N, Camarero, J.A.
Deposit date:2013-05-07
Release date:2013-07-31
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:In Vivo Activation of the p53 Tumor Suppressor Pathway by an Engineered Cyclotide.
J.Am.Chem.Soc., 135, 2013
3LBL
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BU of 3lbl by Molmil
Structure of human MDM2 protein in complex with Mi-63-analog
Descriptor: (2'R,3R,4'R,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2
Authors:Popowicz, G.M, Czarna, A, Wolf, S, Holak, T.A.
Deposit date:2010-01-08
Release date:2010-03-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of low molecular weight inhibitors bound to MDMX and MDM2 reveal new approaches for p53-MDMX/MDM2 antagonist drug discovery
Cell Cycle, 9, 2010
3LBK
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BU of 3lbk by Molmil
Structure of human MDM2 protein in complex with a small molecule inhibitor
Descriptor: 6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-1H-indole-2-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Popowicz, G.M, Czarna, A, Wolf, S, Holak, T.A.
Deposit date:2010-01-08
Release date:2010-03-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of low molecular weight inhibitors bound to MDMX and MDM2 reveal new approaches for p53-MDMX/MDM2 antagonist drug discovery
Cell Cycle, 9, 2010
6V4E
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Crystal Structure Analysis of Zebra Fish MDM
Descriptor: Protein Mdm4, Stapled peptide QSQQTF(0EH)NLWRLL(MK8)QN(NH2)
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2019-11-27
Release date:2020-04-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Identification of a Structural Determinant for Selective Targeting of HDMX.
Structure, 28, 2020
3LNZ
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BU of 3lnz by Molmil
Crystal structure of human MDM2 with a 12-mer peptide inhibitor PMI (N8A mutant)
Descriptor: 12-mer peptide inhibitor, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2
Authors:Pazgier, M, Lu, W.
Deposit date:2010-02-03
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Systematic mutational analysis of peptide inhibition of the p53-MDM2/MDMX interactions.
J.Mol.Biol., 398, 2010
3LNJ
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BU of 3lnj by Molmil
Crystal structure of human MDM2 in complex with D-peptide inhibitor (DPMI-alpha)
Descriptor: CHLORIDE ION, D-peptide inhibitor, E3 ubiquitin-protein ligase Mdm2, ...
Authors:Pazgier, M, Lu, W.
Deposit date:2010-02-02
Release date:2010-03-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A left-handed solution to peptide inhibition of the p53-MDM2 interaction.
Angew.Chem.Int.Ed.Engl., 49, 2010
6V4G
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BU of 6v4g by Molmil
Crystal Structure Analysis of Zebra fish MDMX
Descriptor: Protein Mdm4, SULFATE ION, Stapled peptide QSQQTF(0EH)NLWRLE(MK8)QN(NH2)
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2019-11-27
Release date:2020-04-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Identification of a Structural Determinant for Selective Targeting of HDMX.
Structure, 28, 2020
3VBG
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BU of 3vbg by Molmil
Structure of hDM2 with Dimer Inducing Indolyl Hydantoin RO-2443
Descriptor: (5Z)-5-[(6-chloro-7-methyl-1H-indol-3-yl)methylidene]-3-(3,4-difluorobenzyl)imidazolidine-2,4-dione, E3 ubiquitin-protein ligase Mdm2
Authors:Lukacs, C.M, Janson, C.A, Graves, B.J.
Deposit date:2012-01-02
Release date:2012-06-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Activation of the p53 pathway by small-molecule-induced MDM2 and MDMX dimerization.
Proc.Natl.Acad.Sci.USA, 109, 2012
5XXK
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BU of 5xxk by Molmil
Structure-activity studies of Mdm2/Mdm4-binding stapled peptides comprising non-natural amino acids
Descriptor: E3 ubiquitin-protein ligase Mdm2, Hydrocarbon stapled peptide THC-SER-PHE-0EH-GLU-TYR-6CW-ALA-LEU-LEU-MK8-NH2
Authors:Brown, C.J.
Deposit date:2017-07-04
Release date:2017-12-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structure-activity studies of Mdm2/Mdm4-binding stapled peptides comprising non-natural amino acids.
PLoS ONE, 12, 2017
3VZV
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BU of 3vzv by Molmil
Crystal structure of human mdm2 with a dihydroimidazothiazole inhibitor
Descriptor: 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
Authors:Shimizu, H, Katakura, S, Miyazaki, M, Naito, H, Sugimoto, Y, Kawato, H, Okayama, T, Soga, T.
Deposit date:2012-10-16
Release date:2013-02-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Lead optimization of novel p53-MDM2 interaction inhibitors possessing dihydroimidazothiazole scaffold
Bioorg.Med.Chem.Lett., 23, 2013
6Q9L
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BU of 6q9l by Molmil
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
Descriptor: 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
Authors:Kallen, J.
Deposit date:2018-12-18
Release date:2019-05-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes.
Chemmedchem, 14, 2019
5VK0
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BU of 5vk0 by Molmil
Crystal structure of human MDM2 in complex with a 12-mer lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, Lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI
Authors:Tolbert, W.D, Gohain, N, Pazgier, M.
Deposit date:2017-04-20
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Dithiocarbamate-inspired side chain stapling chemistry for peptide drug design.
Chem Sci, 10, 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
Descriptor: 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
Authors:Kallen, J.
Deposit date:2018-12-18
Release date:2019-05-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.21 Å)
Cite: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
Descriptor: (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
Authors:Kallen, J.
Deposit date:2018-12-18
Release date:2019-05-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes.
Chemmedchem, 14, 2019
7NA3
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BU of 7na3 by Molmil
HDM2 in complex with compound 62
Descriptor: 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
Authors:Scapin, G.
Deposit date:2021-06-19
Release date:2021-11-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
7NA2
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HDM2 in complex with compound 56
Descriptor: 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
Authors:Scapin, G.
Deposit date:2021-06-19
Release date:2021-11-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021

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數據於2024-06-12公開中

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