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PDB: 141 件

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
5C5A
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Crystal Structure of HDM2 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, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, ...
著者Orts, J, Waelti, M.A, Marsh, M, Vera, L, Gossert, A.D, Guentert, P, Riek, R.
登録日2015-06-19
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.146 Å)
主引用文献NMR Molecular Replacement, NMR2
To Be Published
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
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
7QDQ
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Crystal Structure of HDM2 in complex with Caylin-1
分子名称: CHLORIDE ION, Caylin-1, DIMETHYL SULFOXIDE, ...
著者Finke, A.D, Walti, M.A, Marsh, M.E, Orts, J.
登録日2021-11-29
公開日2022-10-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Elucidation of a nutlin-derivative-HDM2 complex structure at the interaction site by NMR molecular replacement: A straightforward derivation
J Magn Reson Open, 10-11, 2022
8F10
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Structure of the MDM2 P53 binding domain in complex with H102, an all-D Helicon Polypeptide
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, ...
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 (1.28 Å)
主引用文献Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display
Chemrxiv, 2023
8P0D
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Human 14-3-3 sigma in complex with human MDM2 peptide
分子名称: 14-3-3 protein sigma, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Roversi, P, Ward, J, Doveston, R, Kwon, H, Romartinez Alonso, B.
登録日2023-05-10
公開日2024-02-21
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Characterizing the protein-protein interaction between MDM2 and 14-3-3 sigma ; proof of concept for small molecule stabilization.
J.Biol.Chem., 300, 2024
8J81
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MDM2 bound with a peptoid
分子名称: (2S)-2-[[(2S)-2-[(6-chloranyl-1H-indol-3-yl)methyl-[(2S)-2-[[(2S)-2-[ethanoyl-(phenylmethyl)amino]propanoyl]-methyl-amino]propanoyl]amino]propanoyl]-methyl-amino]-N-(3,3-dimethylbutyl)-N-[(2S)-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]propanamide, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2
著者Yokomine, M, Fukuda, Y, Ago, H, Matsuura, H, Ueno, G, Nagatoishi, S, Yamamoto, M, Tsumoto, K, Jumpei, M, Sando, S.
登録日2023-04-28
公開日2024-05-01
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A structural and physicochemical study of how a peptoid binds to a protein
To Be Published
5Z02
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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
4OGN
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BU of 4ogn by Molmil
Co-Crystal Structure of MDM2 with Inhbitor Compound 3
分子名称: 6-{[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}pyridine-3-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M.
登録日2014-01-16
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.377 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
8F13
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Structure of the MDM2 P53 binding domain in complex with H103, an all-D Helicon Polypeptide, alternative C-terminus
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, E3 ubiquitin-protein ligase Mdm2, ...
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 (1.4 Å)
主引用文献Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display
Chemrxiv, 2023
7KJM
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BU of 7kjm by Molmil
CRYSTAL STRUCTURE OF HUMAN MDM2 IN COMPLEX WITH D-PEPTIDE INHIBITOR (DPMI-OMEGA)
分子名称: CHLORIDE ION, D-PMI-omega, DI(HYDROXYETHYL)ETHER, ...
著者Tolbert, W.D, Pazgier, M.
登録日2020-10-26
公開日2021-11-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献CRYSTAL STRUCTURE OF HUMAN MDM2 IN COMPLEX WITH D-PEPTIDE INHIBITOR (DPMI-OMEGA)
To Be Published
2AXI
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BU of 2axi by Molmil
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
6SQO
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BU of 6sqo by Molmil
Crystal structure of human MDM2 RING domain homodimer bound to UbcH5B-Ub
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, NITRATE ION, ...
著者Magnussen, H.M, Ahmed, S.F, Huang, D.T.
登録日2019-09-04
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Structural basis for DNA damage-induced phosphoregulation of MDM2 RING domain.
Nat Commun, 11, 2020
4WT2
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Co-crystal Structure of MDM2 in Complex with AM-7209
分子名称: 4-({[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetyl}amino)-2-methoxybenzoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M.
登録日2014-10-30
公開日2014-12-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Discovery of AM-7209, a Potent and Selective 4-Amidobenzoic Acid Inhibitor of the MDM2-p53 Interaction.
J.Med.Chem., 57, 2014
4UE1
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BU of 4ue1 by Molmil
Structure of the stapled peptide YS-01 bound to MDM2
分子名称: E3 UBIQUITIN-PROTEIN LIGASE MDM2, YS-01
著者Tan, Y.S, Reeks, J, Brown, C.J, Jennings, C.E, Eapen, R.S, Tng, Q.S, Thean, D, Ying, Y.T, Gago, F.J.F, Lane, D.P, Noble, M.E.M, Verma, C.
登録日2014-12-14
公開日2016-01-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design.
J Phys Chem Lett, 7, 2016
7NUS
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BU of 7nus by Molmil
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
4OGT
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Co-Crystal Structure of MDM2 with Inhbitor Compound 46
分子名称: 6-{[(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M.
登録日2014-01-16
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5361 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
7AI0
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BU of 7ai0 by Molmil
Crystal structure of human MDM2-G443T RING domain homodimer bound to UbcH5B-Ub (Crystal form 1)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, ...
著者Magnussen, H.M, Huang, D.T.
登録日2020-09-25
公開日2021-01-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.559 Å)
主引用文献Identification of a Catalytic Active but Non-Aggregating MDM2 RING Domain Variant.
J.Mol.Biol., 433, 2021
5OC8
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HDM2 (17-111, WILD TYPE) COMPLEXED WITH NVP-HDM201 AT 1.56A
分子名称: (4~{S})-5-(5-chloranyl-1-methyl-2-oxidanylidene-pyridin-3-yl)-4-(4-chlorophenyl)-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2017-06-29
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Dose and Schedule Determine Distinct Molecular Mechanisms Underlying the Efficacy of the p53-MDM2 Inhibitor HDM201.
Cancer Res., 78, 2018
5LN2
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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
7BJ6
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Inhibitor of MDM2-p53 Interaction
分子名称: (3~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者Williams, P.A.
登録日2021-01-14
公開日2021-04-07
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.59 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
3LBL
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BU of 3lbl by Molmil
Structure of human MDM2 protein in complex with Mi-63-analog
分子名称: (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
著者Popowicz, G.M, Czarna, A, Wolf, S, Holak, T.A.
登録日2010-01-08
公開日2010-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
4UD7
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BU of 4ud7 by Molmil
Structure of the stapled peptide YS-02 bound to MDM2
分子名称: MDM2, YS-02
著者Tan, Y.S, Reeks, J, Brown, C.J, Jennings, C.E, Eapen, R.S, Tng, Q.S, Thean, D, Ying, Y.T, Gago, F.J.F, Lane, D.P, Noble, M.E.M, Verma, C.
登録日2014-12-08
公開日2016-01-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design.
J Phys Chem Lett, 7, 2016
4HG7
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Crystal Structure of an MDM2/Nutlin-3a complex
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, SULFATE ION
著者Noble, M.E.M, Anil, B, Riedinger, C, Endicott, J.A.
登録日2012-10-07
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The structure of an MDM2-Nutlin-3a complex solved by the use of a validated MDM2 surface-entropy reduction mutant.
Acta Crystallogr.,Sect.D, 69, 2013

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