PDB Search results for query - Protein Data Bank Japan

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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
Descriptor:	(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
Authors:	Kallen, J.
Deposit date:	2015-05-21
Release date:	2015-07-29
Last modified:	2024-01-10
Method:	X-RAY DIFFRACTION (1.8 Å)
Cite:	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

4ZYI

Discovery of NVP-CGM097 - a highly potent and selective MDM2 inhibitor undergoing phase 1 clinical trials in p53wt tumors: Hdm2 (MDM2) complexed with cpd2
Descriptor:	(S)-7-((R)-sec-butoxy)-1-(4-chlorophenyl)-6-methoxy-2-(4-(methyl(pyridin-4-ylmethyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4H)-one, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2
Authors:	Kallen, J.
Deposit date:	2015-05-21
Release date:	2015-07-29
Last modified:	2024-01-10
Method:	X-RAY DIFFRACTION (1.67 Å)
Cite:	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

4UD7

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:	2023-12-20
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

4UE1

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:	2023-12-20
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

5AFG

Structure of the Stapled Peptide Bound to Mdm2
Descriptor:	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
Authors:	Lau, Y.H, Wu, Y, Rossmann, M, de Andrade, P, Tan, Y.S, McKenzie, G.J, Venkitaraman, A.R, Hyvonen, M, Spring, D.R.
Deposit date:	2015-01-22
Release date:	2016-01-27
Last modified:	2024-01-10
Method:	X-RAY DIFFRACTION (1.9 Å)
Cite:	Double Strain-Promoted Macrocyclization for the Rapid Selection of Cell-Active Stapled Peptides. Angew.Chem.Int.Ed.Engl., 54, 2015

5HMI

HDM2 in complex with a 3,3-Disubstituted Piperidine
Descriptor:	E3 ubiquitin-protein ligase Mdm2, SULFATE ION, {4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2R,3S)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]methanone
Authors:	Scapin, G.
Deposit date:	2016-01-16
Release date:	2016-04-06
Last modified:	2024-03-06
Method:	X-RAY DIFFRACTION (1.74 Å)
Cite:	Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors. Acs Med.Chem.Lett., 7, 2016

5HMH

HDM2 in complex with a 3,3-Disubstituted Piperidine
Descriptor:	4-[2-(4-{[(2R,3S)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]carbonyl}piperazin-1-yl)phenoxy]butanoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:	Scapin, G.
Deposit date:	2016-01-16
Release date:	2016-04-06
Last modified:	2024-03-06
Method:	X-RAY DIFFRACTION (1.79 Å)
Cite:	Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors. Acs Med.Chem.Lett., 7, 2016

5HMK

HDM2 in complex with a 3,3-Disubstituted Piperidine
Descriptor:	E3 ubiquitin-protein ligase Mdm2, {4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}piperidin-3-yl]methanone
Authors:	Scapin, G.
Deposit date:	2016-01-16
Release date:	2016-04-06
Last modified:	2024-03-06
Method:	X-RAY DIFFRACTION (2.17 Å)
Cite:	Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors. Acs Med.Chem.Lett., 7, 2016

5C5A

Crystal Structure of HDM2 in complex with Nutlin-3a
Descriptor:	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, ...
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
Last modified:	2024-01-10
Method:	X-RAY DIFFRACTION (1.146 Å)
Cite:	NMR Molecular Replacement, NMR2 To Be Published

5LN2

Discovery of a novel class of highly potent inhibitors of the p53-MDM2 interaction by structure-based design starting from a conformational argument
Descriptor:	(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, ...
Authors:	Kallen, J.
Deposit date:	2016-08-02
Release date:	2016-09-07
Last modified:	2024-01-10
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

4ZFI

Structure of Mdm2 with low molecular weight inhibitor
Descriptor:	(5S)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-5-hydroxy-1-methyl-1,5-dihydro-2H-pyrrol-2-one, E3 ubiquitin-protein ligase Mdm2
Authors:	Zak, K.M, Twarda-Clapa, A, Wrona, E.M, Grudnik, P, Dubin, G, Holak, T.A.
Deposit date:	2015-04-21
Release date:	2016-10-19
Last modified:	2024-01-10
Method:	X-RAY DIFFRACTION (2 Å)
Cite:	A Unique Mdm2-Binding Mode of the 3-Pyrrolin-2-one- and 2-Furanone-Based Antagonists of the p53-Mdm2 Interaction. ACS Chem. Biol., 11, 2016

4ZGK

Structure of Mdm2 with low molecular weight inhibitor.
Descriptor:	(5R)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-5-hydroxyfuran-2(5H)-one, E3 ubiquitin-protein ligase Mdm2
Authors:	Twarda-Clapa, A, Zak, K.M, Wrona, E.M, Grudnik, P, Dubin, G, Holak, T.A.
Deposit date:	2015-04-23
Release date:	2016-10-19
Last modified:	2024-01-10
Method:	X-RAY DIFFRACTION (2 Å)
Cite:	A Unique Mdm2-Binding Mode of the 3-Pyrrolin-2-one- and 2-Furanone-Based Antagonists of the p53-Mdm2 Interaction. ACS Chem. Biol., 11, 2016

5LAW

Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 14
Descriptor:	2-[(3~{S},3'~{a}~{S},6'~{S},6'~{a}~{S})-6-chloranyl-6'-(3-chlorophenyl)-4'-(cyclopropylmethyl)-2-oxidanylidene-spiro[1~{H}-indole-3,5'-3,3~{a},6,6~{a}-tetrahydro-2~{H}-pyrrolo[3,2-b]pyrrole]-1'-yl]ethanoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:	Kessler, D, Gollner, A.
Deposit date:	2016-06-15
Release date:	2016-11-02
Last modified:	2019-09-25
Method:	X-RAY DIFFRACTION (1.64 Å)
Cite:	Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction. J. Med. Chem., 59, 2016

5LAZ

Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND BI-0252
Descriptor:	4-[(2~{R},3~{a}~{S},5~{S},6~{S},6~{a}~{S})-6'-chloranyl-6-(3-chloranyl-2-fluoranyl-phenyl)-4-(cyclopropylmethyl)-2'-oxidanylidene-spiro[1,2,3,3~{a},6,6~{a}-hexahydropyrrolo[3,2-b]pyrrole-5,3'-1~{H}-indole]-2-yl]benzoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION, ...
Authors:	Kessler, D, Gollner, A.
Deposit date:	2016-06-15
Release date:	2016-11-02
Last modified:	2019-06-12
Method:	X-RAY DIFFRACTION (1.66 Å)
Cite:	Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction. J. Med. Chem., 59, 2016

5LAV

Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) in complex with compound 6b
Descriptor:	(3~{S},3'~{S},4'~{S})-4'-azanyl-6-chloranyl-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:	Kessler, D, Gollner, A.
Deposit date:	2016-06-15
Release date:	2016-11-02
Last modified:	2018-04-25
Method:	X-RAY DIFFRACTION (1.73 Å)
Cite:	Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction. J. Med. Chem., 59, 2016

5LAY

Discovery of New Natural-product-inspired Spiro-oxindole Compounds as Orally Active Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 6g
Descriptor:	(3~{S},3'~{S},4'~{S},5'~{S})-4'-azanyl-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-[(3-ethoxyphenyl)methyl]-5'-methyl-spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ...
Authors:	Kessler, D, Gollner, A.
Deposit date:	2016-06-15
Release date:	2016-11-02
Last modified:	2019-06-12
Method:	X-RAY DIFFRACTION (2.71 Å)
Cite:	Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction. J. Med. Chem., 59, 2016

5TRF

MDM2 in complex with SAR405838
Descriptor:	(2'S,3R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ...
Authors:	Meagher, J.L, Stuckey, J.A.
Deposit date:	2016-10-26
Release date:	2016-11-09
Last modified:	2024-03-06
Method:	X-RAY DIFFRACTION (2.1 Å)
Cite:	SAR405838: an optimized inhibitor of MDM2-p53 interaction that induces complete and durable tumor regression. Cancer Res., 74, 2014

5J7F

Structure of MDM2 with low molecular weight inhibitor with aliphatic linker.
Descriptor:	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
Authors:	Twarda-Clapa, A, Kubica, K, Guzik, K, Dubin, G, Holak, T.A.
Deposit date:	2016-04-06
Release date:	2017-05-17
Last modified:	2024-01-10
Method:	X-RAY DIFFRACTION (2 Å)
Cite:	1,4,5-Trisubstituted Imidazole-Based p53-MDM2/MDMX Antagonists with Aliphatic Linkers for Conjugation with Biological Carriers. J. Med. Chem., 60, 2017

5J7G

Structure of MDM2 with low molecular weight inhibitor with aliphatic linker.
Descriptor:	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
Authors:	Twarda-Clapa, A, Kubica, K, Guzik, K, Dubin, G, Holak, T.A.
Deposit date:	2016-04-06
Release date:	2017-05-17
Last modified:	2024-01-10
Method:	X-RAY DIFFRACTION (1.85 Å)
Cite:	1,4,5-Trisubstituted Imidazole-Based p53-MDM2/MDMX Antagonists with Aliphatic Linkers for Conjugation with Biological Carriers. J. Med. Chem., 60, 2017

5SWK

Crystal structure of p53 epitope-scaffold based on a inhibitor of cysteine proteases in complex with human MDM2
Descriptor:	CHLORIDE ION, De novo protein based on the inhibitor Amoebiasin-1, E3 ubiquitin-protein ligase Mdm2, ...
Authors:	Jimenez-Sandoval, P, Brieba, L.G.
Deposit date:	2016-08-08
Release date:	2017-10-18
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (1.923 Å)
Cite:	Mimicking a p53-MDM2 interaction based on a stable immunoglobulin-like domain scaffold. Proteins, 86, 2018

5WTS

Green fluorescent protein linked MTide-02 inhibitor in complex with mdm2
Descriptor:	E3 ubiquitin-protein ligase Mdm2, GLYCEROL, Green fluorescent protein linked MTide-02, ...
Authors:	Wongsantichon, J, Robinson, R.C, Ghadessy, F.J.
Deposit date:	2016-12-14
Release date:	2017-12-20
Last modified:	2020-11-25
Method:	X-RAY DIFFRACTION (3.004 Å)
Cite:	Green fluorescent protein linked peptide inhibitor PMI in complex with mdm2 To Be Published

5XXK

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

5Z02

Crystal structure of HIS6-tagged Mdm2 with nutlin-3a
Descriptor:	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
Authors:	Su, Z.D, Cheng, X.Y, Chen, R, Pi, N.
Deposit date:	2017-12-18
Release date:	2018-01-03
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (1.35 Å)
Cite:	Crystal structure of HIS6-tagged Mdm2 with nutlin-3a to be published

5UMM

CRYSTAL STRUCTURE OF HUMAN MDM2 IN COMPLEX WITH 12-MER PEPTIDE INHIBITOR M3
Descriptor:	CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, PEPTIDE INHIBITOR M3
Authors:	Pazgier, M, Gohain, N, Tolbert, W.D.
Deposit date:	2017-01-27
Release date:	2018-01-31
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (1.65 Å)
Cite:	Design of ultrahigh-affinity and dual-specificity peptide antagonists of MDM2 and MDMX for p53 activation To Be Published

5VK0

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

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Total results:	155
Displayed results:	25
Sorted by:	Release date (from oldest)
Query:	PF02201