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PDB: 141 件

5VK0
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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2024-07-10
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
4OCC
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co-crystal structure of MDM2(17-111) in complex with compound 48
分子名称: E3 ubiquitin-protein ligase Mdm2, [(2R,5R,6R)-4-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
著者Huang, X.
登録日2014-01-08
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
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
2GV2
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MDM2 in complex with an 8-mer p53 peptide analogue
分子名称: 8-MER P53 PEPTIDE ANALOGUE, E3 ubiquitin-protein ligase Mdm2
著者Schubert, C, Sakurai, K.
登録日2006-05-02
公開日2006-09-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic Analysis of an 8-mer p53 Peptide Analogue Complexed with MDM2.
J.Am.Chem.Soc., 128, 2006
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
4ODE
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Co-Crystal Structure of MDM2 with Inhibitor Compound 4
分子名称: (2-{[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}-1,3-thiazol-5-yl)acetic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M.
登録日2014-01-10
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
3G03
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Structure of human MDM2 in complex with high affinity peptide
分子名称: E3 ubiquitin-protein ligase Mdm2, High affinity synthetic peptide
著者Czarna, A.L, Popowicz, G.M, Holak, T.A.
登録日2009-01-27
公開日2009-04-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High affinity interaction of the p53 peptide-analogue with human Mdm2 and Mdmx.
Cell Cycle, 8, 2009
4ZYF
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Discovery of NVP-CGM097 - a highly potent and selective MDM2 inhibitor undergoing phase 1 clinical trials in p53wt tumors: Hdm2 (MDM2) complexed with NVP-CGM097
分子名称: (S)-1-(4-chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-(methyl(((1r,4S)-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl)methyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4H)-one, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2
著者Kallen, J.
登録日2015-05-21
公開日2015-07-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of a Dihydroisoquinolinone Derivative (NVP-CGM097): A Highly Potent and Selective MDM2 Inhibitor Undergoing Phase 1 Clinical Trials in p53wt Tumors.
J.Med.Chem., 58, 2015
4ERE
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BU of 4ere by Molmil
crystal structure of MDM2 (17-111) in complex with compound 23
分子名称: 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
著者Huang, X.
登録日2012-04-20
公開日2012-05-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
3TPX
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Crystal structure of human MDM2 in complex with a trifluoromethylated D-peptide inhibitor
分子名称: ACETATE ION, CHLORIDE ION, D-peptide inhibitor DPMI-delta, ...
著者Wu, X, Pazgier, M.
登録日2011-09-08
公開日2012-06-20
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An Ultrahigh Affinity d-Peptide Antagonist Of MDM2.
J.Med.Chem., 55, 2012
7BMG
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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2024-05-15
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
7NA4
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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2024-05-22
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
5J7G
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BU of 5j7g by Molmil
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
8F12
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Structure of the MDM2 P53 binding domain in complex with H103, an all-D Helicon Polypeptide
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, H103, ...
著者Li, K, Callahan, A.J, Travaline, T.L, Tokareva, O.S, Swiecicki, J.-M, Verdine, G.L, Pentelute, B.L, McGee, J.H.
登録日2022-11-04
公開日2023-02-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display
Chemrxiv, 2023
7NA2
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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2024-05-22
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
1T4F
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BU of 1t4f by Molmil
Structure of human MDM2 in complex with an optimized p53 peptide
分子名称: SULFATE ION, Ubiquitin-protein ligase E3 Mdm2, optimized p53 peptide
著者Grasberger, B.L, Schubert, C, Koblish, H.K, Carver, T.E, Franks, C.F, Zhao, S.Y, Lu, T, LaFrance, L.V, Parks, D.J.
登録日2004-04-29
公開日2005-02-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and cocrystal structure of benzodiazepinedione HDM2 antagonists that activate p53 in cells
J.Med.Chem., 48, 2005
3W69
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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
5AFG
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Structure of the Stapled Peptide Bound to Mdm2
分子名称: 1,8-DIETHYL-1,8-DIHYDRODIBENZO[3,4:7,8][1,2,3]TRIAZOLO[4',5':5,6]CYCLOOCTA[1,2-D][1,2,3]TRIAZOLE, E3 UBIQUITIN-PROTEIN LIGASE MDM2, STAPLED PEPTIDE
著者Lau, Y.H, Wu, Y, Rossmann, M, de Andrade, P, Tan, Y.S, McKenzie, G.J, Venkitaraman, A.R, Hyvonen, M, Spring, D.R.
登録日2015-01-22
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Double Strain-Promoted Macrocyclization for the Rapid Selection of Cell-Active Stapled Peptides.
Angew.Chem.Int.Ed.Engl., 54, 2015
4DIJ
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The Central Valine Concept Provides an Entry in a New Class of Non Peptide Inhibitors of the P53-MDM2 Interaction
分子名称: 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
著者Kallen, J.
登録日2012-01-31
公開日2012-05-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
4HBM
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Ordering of the N Terminus of Human MDM2 by Small Molecule Inhibitors
分子名称: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-hydroxybutan-2-yl]-2-oxopiperidin-3-yl}acetic acid
著者Huang, X.
登録日2012-09-28
公開日2012-10-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ordering of the N-terminus of human MDM2 by small molecule inhibitors.
J.Am.Chem.Soc., 134, 2012
4MDN
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Structure of a novel submicromolar MDM2 inhibitor
分子名称: 3-{(1S)-2-(tert-butylamino)-1-[{4-[(4-chlorobenzyl)oxy]benzyl}(formyl)amino]-2-oxoethyl}-6-chloro-1H-indole-2-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Bista, M, Popowicz, G, Holak, T.A.
登録日2013-08-23
公開日2013-11-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.905 Å)
主引用文献Transient Protein States in Designing Inhibitors of the MDM2-p53 Interaction.
Structure, 21, 2013
5SWK
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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
3IWY
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Crystal structure of human MDM2 complexed with D-peptide (12 residues)
分子名称: D-peptide inhibitor, E3 ubiquitin-protein ligase Mdm2
著者Pazgier, M, Lu, W.
登録日2009-09-03
公開日2010-04-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献D-peptide inhibitors of the p53-MDM2 interaction for targeted molecular therapy of malignant neoplasms.
Proc.Natl.Acad.Sci.USA, 398, 2010
3LNZ
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Crystal structure of human MDM2 with a 12-mer peptide inhibitor PMI (N8A mutant)
分子名称: 12-mer peptide inhibitor, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2
著者Pazgier, M, Lu, W.
登録日2010-02-03
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Systematic mutational analysis of peptide inhibition of the p53-MDM2/MDMX interactions.
J.Mol.Biol., 398, 2010
4ZYC
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Discovery of dihydroisoquinolinone derivatives as novel inhibitors of the p53-MDM2 interaction with a distinct binding mode: Hdm2 (MDM2) complexed with cpd5
分子名称: (S)-2-(2-((2H-tetrazol-5-yl)methoxy)-4-methylphenyl)-1-(4-chlorophenyl)-6,7-diethoxy-1,2-dihydroisoquinolin-3(4H)-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Kallen, J.
登録日2015-05-21
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of dihydroisoquinolinone derivatives as novel inhibitors of the p53-MDM2 interaction with a distinct binding mode.
Bioorg.Med.Chem.Lett., 25, 2015

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