4LWU
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THE 1.14A CRYSTAL STRUCTURE OF HUMANIZED XENOPUS MDM2 WITH RO5499252
Descriptor:E3 ubiquitin-protein ligase Mdm2, (2'S,3R,4'S,5'R)-N-(4-carbamoylphenyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, SULFATE ION
Authors:Graves, B.J., Lukacs, C., Janson, C.A.
Deposit date:2013-07-28
Release date:2014-07-16
Last modified:2014-08-13
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Discovery of potent and selective spiroindolinone MDM2 inhibitor, RO8994, for cancer therapy.
Bioorg.Med.Chem., 22, 2014
5C5A
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CRYSTAL STRUCTURE OF HDM2 IN COMPLEX WITH NUTLIN-3A
Descriptor:E3 ubiquitin-protein ligase Mdm2, 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, SULFATE ION, ...
Authors:Orts, J., Waelti, M.A., Marsh, M., Vera, L., Gossert, A.D., Guentert, P., Riek, R.
Deposit date:2015-06-19
Release date:2016-06-29
Method:X-RAY DIFFRACTION (1.146 Å)
Cite:NMR Molecular Replacement, NMR2
To Be Published
4J74
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THE 1.2A CRYSTAL STRUCTURE OF HUMANIZED XENOPUS MDM2 WITH RO0503918 - A NUTLIN FRAGMENT
Descriptor:E3 ubiquitin-protein ligase Mdm2, (4S,5R)-4,5-bis(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-imidazole, SULFATE ION
Authors:Janson, C., Lukacs, C., Kammlott, U., Graves, B.
Deposit date:2013-02-12
Release date:2013-08-07
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Deconstruction of a nutlin: dissecting the binding determinants of a potent protein-protein interaction inhibitor.
ACS Med Chem Lett, 4, 2013
4J7D
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THE 1.25A CRYSTAL STRUCTURE OF HUMANIZED XENOPUS MDM2 WITH A NUTLIN FRAGMENT, RO5045331
Descriptor:E3 ubiquitin-protein ligase Mdm2, (4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole, SULFATE ION
Authors:Janson, C., Lukacs, C., Graves, B.
Deposit date:2013-02-13
Release date:2013-08-07
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Deconstruction of a nutlin: dissecting the binding determinants of a potent protein-protein interaction inhibitor.
ACS Med Chem Lett, 4, 2013
5ZXF
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THE 1.25A CRYSTAL STRUCTURE OF HIS6-TAGGED MDM2 IN COMPLEX WITH NUTLIN-3A
Descriptor:E3 ubiquitin-protein ligase Mdm2, 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
Authors: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.
Deposit date:2018-05-19
Release date:2018-08-22
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:The 1.25A Crystal structure of His6-tagged Mdm2 in complex with nutlin-3a
To Be Published
3FEA
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CRYSTAL STRUCTURE OF HDMX BOUND TO THE P53-PEPTIDOMIMETIC AC-PHE-MET-AIB-PMP-6-CL-TRP-GLU-AC3C-LEU-NH2 AT 1.33A
Descriptor:Mdm4 protein, p53-peptidomimetic Ac-Phe-Met-Aib-Pmp-6-Cl-Trp-Glu-Ac3c-Leu-NH2, (4S)-2-METHYL-2,4-PENTANEDIOL
Authors:Kallen, J.
Deposit date:2008-11-28
Release date:2009-01-27
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Crystal Structures of Human MdmX (HdmX) in Complex with p53 Peptide Analogues Reveal Surprising Conformational Changes
J.Biol.Chem., 284, 2009
3FE7
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CRYSTAL STRUCTURE OF HDMX BOUND TO THE P53-PEPTIDOMIMETIC AC-PHE-MET-AIB-PMP-TRP-GLU-AC3C-LEU-NH2 AT 1.35A
Descriptor:Mdm4 protein, p53-peptidomimetic Ac-Phe-Met-Aib-Pmp-Trp-Glu-Ac3c-Leu-NH2
Authors:Kallen, J.
Deposit date:2008-11-28
Release date:2009-01-27
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal Structures of Human MdmX (HdmX) in Complex with p53 Peptide Analogues Reveal Surprising Conformational Changes
J.Biol.Chem., 284, 2009
5Z02
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CRYSTAL STRUCTURE OF HIS6-TAGGED MDM2 WITH NUTLIN-3A
Descriptor:E3 ubiquitin-protein ligase Mdm2, 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
Authors:Su, Z.D., Cheng, X.Y., Chen, R., Pi, N.
Deposit date:2017-12-18
Release date:2018-01-03
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of HIS6-tagged Mdm2 with nutlin-3a
to be published
4OGN
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CO-CRYSTAL STRUCTURE OF MDM2 WITH INHBITOR COMPOUND 3
Descriptor:E3 ubiquitin-protein ligase Mdm2, 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, SULFATE ION
Authors:Shaffer, P.L., Huang, X., Yakowec, P., Long, A.M.
Deposit date:2014-01-16
Release date:2014-04-02
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.377 Å)
Cite:Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
2AXI
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HDM2 IN COMPLEX WITH A BETA-HAIRPIN
Descriptor:Ubiquitin-protein ligase E3 Mdm2, cyclic 8-mer peptide, SULFATE ION, ...
Authors:Mittl, P.R.E., Fasan, R., Robinson, J., Gruetter, M.G.
Deposit date:2005-09-05
Release date:2006-03-21
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Activity Studies in a Family of beta-Hairpin Protein Epitope Mimetic Inhibitors of the p53-HDM2 Protein-Protein Interaction.
Chembiochem, 7, 2006
3FDO
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STRUCTURE OF HUMAN MDMX IN COMPLEX WITH HIGH AFFINITY PEPTIDE
Descriptor:Protein Mdm4, Synthetic high affinity peptide, MAGNESIUM ION
Authors:Czarna, A.L., Popowicz, G.M., Holak, T.A.
Deposit date:2008-11-26
Release date:2008-12-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High affinity interaction of the p53 peptide-analogue with human Mdm2 and Mdmx
Cell Cycle, 8, 2009
4WT2
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CO-CRYSTAL STRUCTURE OF MDM2 IN COMPLEX WITH AM-7209
Descriptor:E3 ubiquitin-protein ligase Mdm2, 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, SULFATE ION
Authors:Shaffer, P.L., Huang, X., Yakowec, P., Long, A.M.
Deposit date:2014-10-30
Release date:2014-12-03
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.42 Å)
Cite: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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STRUCTURE OF THE STAPLED PEPTIDE YS-01 BOUND TO MDM2
Descriptor:E3 UBIQUITIN-PROTEIN LIGASE MDM2, YS-01
Authors: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.
Deposit date:2014-12-14
Release date:2016-01-13
Last modified:2017-01-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design.
J Phys Chem Lett, 7, 2016
3LBJ
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STRUCTURE OF HUMAN MDMX PROTEIN IN COMPLEX WITH A SMALL MOLECULE INHIBITOR
Descriptor:Protein Mdm4, N-[(3S)-1-({6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-1H-indol-2-yl}carbonyl)pyrrolidin-3-yl]-N,N',N'-trimethylpropane-1,3-diamine, 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:2018-10-17
Method:X-RAY DIFFRACTION (1.5 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
4OGT
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CO-CRYSTAL STRUCTURE OF MDM2 WITH INHBITOR COMPOUND 46
Descriptor:E3 ubiquitin-protein ligase Mdm2, 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, SULFATE ION
Authors:Shaffer, P.L., Huang, X., Yakowec, P., Long, A.M.
Deposit date:2014-01-16
Release date:2014-04-02
Last modified:2014-06-18
Method:X-RAY DIFFRACTION (1.5361 Å)
Cite:Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
4RXZ
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CRYSTAL STRUCTURE OF MDMX PHOSPORYLATED TYR99 IN COMPLEX WITH A 12-MER PEPTIDE
Descriptor:Protein Mdm4, 12-MER PEPTIDE INHIBITOR
Authors:Pazgier, M., Gohain, N., Tolbert, W.D.
Deposit date:2014-12-12
Release date:2015-07-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural basis of how stress-induced MDMX phosphorylation activates p53.
Oncogene, 2015
5OC8
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HDM2 (17-111, WILD TYPE) COMPLEXED WITH NVP-HDM201 AT 1.56A
Descriptor:E3 ubiquitin-protein ligase Mdm2, (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
Authors:Kallen, J.
Deposit date:2017-06-29
Release date:2018-08-22
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (1.56 Å)
Cite: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
Descriptor:E3 ubiquitin-protein ligase Mdm2, (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, SULFATE ION, ...
Authors:Kallen, J.
Deposit date:2016-08-02
Release date:2016-09-07
Last modified:2016-09-21
Method:X-RAY DIFFRACTION (1.58 Å)
Cite: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
3LBL
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STRUCTURE OF HUMAN MDM2 PROTEIN IN COMPLEX WITH MI-63-ANALOG
Descriptor:E3 ubiquitin-protein ligase Mdm2, (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
Authors:Popowicz, G.M., Czarna, A., Wolf, S., Holak, T.A.
Deposit date:2010-01-08
Release date:2010-03-16
Last modified:2018-10-17
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
4HG7
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CRYSTAL STRUCTURE OF AN MDM2/NUTLIN-3A COMPLEX
Descriptor:E3 ubiquitin-protein ligase Mdm2, 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, SULFATE ION
Authors:Noble, M.E.M., Anil, B., Riedinger, C., Endicott, J.A.
Deposit date:2012-10-07
Release date:2013-07-31
Last modified:2013-08-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
4LWT
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THE 1.6A CRYSTAL STRUCTURE OF HUMANIZED XENOPUS MDM2 WITH RO5027344
Descriptor:E3 ubiquitin-protein ligase Mdm2, (3S)-3-[(3R)-1-acetylpiperidin-3-yl]-6-chloro-3-(3-chlorobenzyl)-1,3-dihydro-2H-indol-2-one, SULFATE ION
Authors:Graves, B.J., Lukacs, C., Kammlott, U.
Deposit date:2013-07-28
Release date:2014-07-16
Last modified:2014-08-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of potent and selective spiroindolinone MDM2 inhibitor, RO8994, for cancer therapy.
Bioorg.Med.Chem., 22, 2014
4UD7
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STRUCTURE OF THE STAPLED PEPTIDE YS-02 BOUND TO MDM2
Descriptor:MDM2, YS-02
Authors: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.
Deposit date:2014-12-08
Release date:2016-01-13
Last modified:2017-01-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design.
J Phys Chem Lett, 7, 2016
4OBA
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CO-CRYSTAL STRUCTURE OF MDM2 WITH INHIBITOR COMPOUND 4
Descriptor:E3 ubiquitin-protein ligase Mdm2, [(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
Authors:Shaffer, P.L., Huang, X., Yakowec, P., Long, A.M.
Deposit date:2014-01-07
Release date:2014-03-19
Last modified:2014-04-09
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Selective and Potent Morpholinone Inhibitors of the MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 57, 2014
3TU1
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EXHAUSTIVE FLUORINE SCANNING TOWARDS POTENT P53-MDM2 ANTAGONIST
Descriptor:E3 ubiquitin-protein ligase Mdm2, 2-(tert-butylamino)-1-(2-carboxy-6-chloro-1H-indol-3-yl)-1-[(3,4-difluorobenzyl)(formyl)amino]-2-oxoethylium
Authors:Wolf, S., Huang, Y., Koes, D., Popowicz, G.M., Camacho, C.J., Holak, T.A., Doemling, A.
Deposit date:2011-09-15
Release date:2011-11-02
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.603 Å)
Cite:Exhaustive Fluorine Scanning toward Potent p53-Mdm2 Antagonists.
Chemmedchem, 7, 2012
3EQY
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CRYSTAL STRUCTURE OF HUMAN MDMX IN COMPLEX WITH A 12-MER PEPTIDE INHIBITOR
Descriptor:Mdm4 protein, 12-mer peptide inhibitor, GUANIDINE, ...
Authors:Pazgier, M., Lu, W.
Deposit date:2008-10-01
Release date:2009-03-17
Last modified:2014-04-02
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural basis for high-affinity peptide inhibition of p53 interactions with MDM2 and MDMX.
Proc.Natl.Acad.Sci.USA, 106, 2009
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