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8EBK
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BU of 8ebk by Molmil
Crystal Structure Analysis of xHDMX in complex with the stapled peptide PROTAC analog
Descriptor: ACE-LEU-THR-PHE-0EH-GLU-TYR-TRP-ALA-GLN-LEU-MK8-SER-ALA-ALA, HDMX
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2022-08-31
Release date:2023-10-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Crystal Structure Analysis of xHDMX in complex with the stapled peptide PROTAC analog
To Be Published
5LN2
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BU of 5ln2 by Molmil
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
8F10
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BU of 8f10 by Molmil
Structure of the MDM2 P53 binding domain in complex with H102, an all-D Helicon Polypeptide
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, ...
Authors:Li, K, Callahan, A.J, Travaline, T.L, Tokareva, O.S, Swiecicki, J.-M, Verdine, G.L, Pentelute, B.L, McGee, J.H.
Deposit date:2022-11-04
Release date:2023-02-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display
Chemrxiv, 2023
8F0Z
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BU of 8f0z by Molmil
Structure of the MDM2 P53 binding domain in complex with H101, an all-D Helicon Polypeptide
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, H101, ...
Authors:Li, K, Callahan, A.J, Travaline, T.L, Tokareva, O.S, Swiecicki, J.-M, Verdine, G.L, Pentelute, B.L, McGee, J.H.
Deposit date:2022-11-04
Release date:2023-02-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display
Chemrxiv, 2023
8F13
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BU of 8f13 by Molmil
Structure of the MDM2 P53 binding domain in complex with H103, an all-D Helicon Polypeptide, alternative C-terminus
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, E3 ubiquitin-protein ligase Mdm2, ...
Authors:Li, K, Callahan, A.J, Travaline, T.L, Tokareva, O.S, Swiecicki, J.-M, Verdine, G.L, Pentelute, B.L, McGee, J.H.
Deposit date:2022-11-04
Release date:2023-02-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display
Chemrxiv, 2023
8F12
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BU of 8f12 by Molmil
Structure of the MDM2 P53 binding domain in complex with H103, an all-D Helicon Polypeptide
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, H103, ...
Authors:Li, K, Callahan, A.J, Travaline, T.L, Tokareva, O.S, Swiecicki, J.-M, Verdine, G.L, Pentelute, B.L, McGee, J.H.
Deposit date:2022-11-04
Release date:2023-02-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display
Chemrxiv, 2023
3JZS
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BU of 3jzs by Molmil
Human MDM2 liganded with a 12mer peptide inhibitor (pDIQ)
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase Mdm2, pDIQ peptide (12mer)
Authors:Schonbrunn, E, Phan, J.
Deposit date:2009-09-24
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX.
J.Biol.Chem., 285, 2010
6I29
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BU of 6i29 by Molmil
X-ray structure of the p53-MDM2 inhibitor NMI801 bound to HDM2 at 2.1A resolution
Descriptor: 6-chloranyl-3-[3-[(1~{S})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{N}-[2-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]pyridin-3-yl]-1~{H}-indole-2-carboxamide, Human E3 Ubiquitin-Protein Ligase MDM2
Authors:Kallen, J.
Deposit date:2018-11-01
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:p53 dynamics vary between tissues and are linked with radiation sensitivity
To be published
5HMH
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BU of 5hmh by Molmil
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
3JZK
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BU of 3jzk by Molmil
crystal structure of MDM2 with chromenotriazolopyrimidine 1
Descriptor: (6R,7S)-6,7-bis(4-bromophenyl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine, E3 ubiquitin-protein ligase Mdm2
Authors:Huang, X.
Deposit date:2009-09-23
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery and optimization of chromenotriazolopyrimidines as potent inhibitors of the mouse double minute 2-tumor protein 53 protein-protein interaction.
J.Med.Chem., 52, 2009
6H22
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BU of 6h22 by Molmil
Crystal structure of Mdm2 bound to a stapled peptide
Descriptor: 12-(dimethylamino)-3,10-diethyl-N,N,N-trimethyl-3,10-dihydrodibenzo[3,4:7,8]cycloocta[1,2-d:5,6-d']bis([1,2,3]triazole)-5-aminium, E3 ubiquitin-protein ligase Mdm2, Stapled peptide
Authors:Wang, X, Sharma, K, Spring, D.R, Hyvonen, M.
Deposit date:2018-07-12
Release date:2019-07-31
Last modified:2019-09-11
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Water-soluble, stable and azide-reactive strained dialkynes for biocompatible double strain-promoted click chemistry.
Org.Biomol.Chem., 17, 2019
5J7F
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BU of 5j7f by Molmil
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
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BU of 5j7g by Molmil
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
3JZR
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BU of 3jzr by Molmil
Human MDM2 liganded with a 12mer peptide inhibitor (pDI6W)
Descriptor: E3 ubiquitin-protein ligase Mdm2, pDI6W peptide (12mer)
Authors:Schonbrunn, E, Phan, J.
Deposit date:2009-09-24
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX.
J.Biol.Chem., 285, 2010
4ZFI
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BU of 4zfi by Molmil
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
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BU of 4zgk by Molmil
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
4ZYC
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BU of 4zyc by Molmil
Discovery of dihydroisoquinolinone derivatives as novel inhibitors of the p53-MDM2 interaction with a distinct binding mode: Hdm2 (MDM2) complexed with cpd5
Descriptor: (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
Authors:Kallen, J.
Deposit date:2015-05-21
Release date:2015-07-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of dihydroisoquinolinone derivatives as novel inhibitors of the p53-MDM2 interaction with a distinct binding mode.
Bioorg.Med.Chem.Lett., 25, 2015
4ZYF
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BU of 4zyf by Molmil
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
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BU of 4zyi by Molmil
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
5AFG
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BU of 5afg by Molmil
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
1RV1
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BU of 1rv1 by Molmil
CRYSTAL STRUCTURE OF HUMAN MDM2 WITH AN IMIDAZOLINE INHIBITOR
Descriptor: CIS-[4,5-BIS-(4-BROMOPHENYL)-2-(2-ETHOXY-4-METHOXYPHENYL)-4,5-DIHYDROIMIDAZOL-1-YL]-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]METHANONE, Ubiquitin-protein ligase E3 Mdm2
Authors:Lukacs, C, Kammlott, U, Graves, B.
Deposit date:2003-12-12
Release date:2004-01-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:In vivo activation of the p53 pathway by small-molecule antagonists of MDM2.
Science, 303, 2004
1UHR
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BU of 1uhr by Molmil
Solution structure of the SWIB domain of mouse BRG1-associated factor 60a
Descriptor: SWI/SNF related, matrix associated, actin dependent regulator of chromatin subfamily D member 1
Authors:Yamada, K, Saito, K, Nameki, N, Inoue, M, Koshiba, S, Shirouzu, M, Terada, T, Yabuki, T, Aoki, M, Matsuda, T, Seki, E, Hirota, H, Yoshida, M, Tanaka, A, Osanai, T, Arakawa, T, Carninci, P, Kawai, J, Hayashizaki, Y, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-07-09
Release date:2004-08-24
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the SWIB domain of mouse BRG1-associated factor 60a
To be Published
1V31
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BU of 1v31 by Molmil
Solution structure of the SWIB/MDM2 domain of the hypothetical protein At5g14170 from Arabidopsis thaliana
Descriptor: hypothetical protein RAFL11-05-P19
Authors:Yoneyama, M, Tochio, N, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-10-21
Release date:2004-04-21
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the SWIB/MDM2 domain of the hypothetical protein At5g14170 from Arabidopsis thaliana
To be Published
1V32
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BU of 1v32 by Molmil
Solution structure of the SWIB/MDM2 domain of the hypothetical protein At5g08430 from Arabidopsis thaliana
Descriptor: hypothetical protein RAFL09-47-K03
Authors:Yoneyama, M, Tochio, N, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-10-24
Release date:2004-04-24
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the SWIB/MDM2 domain of the hypothetical protein At5g08430 from Arabidopsis thaliana
To be Published
1T4E
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BU of 1t4e by Molmil
Structure of Human MDM2 in complex with a Benzodiazepine Inhibitor
Descriptor: (4-CHLOROPHENYL)[3-(4-CHLOROPHENYL)-7-IODO-2,5-DIOXO-1,2,3,5-TETRAHYDRO-4H-1,4-BENZODIAZEPIN-4-YL]ACETIC ACID, Ubiquitin-protein ligase E3 Mdm2
Authors: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.
Deposit date:2004-04-29
Release date:2005-02-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery and cocrystal structure of benzodiazepinedione HDM2 antagonists that activate p53 in cells
J.Med.Chem., 48, 2005

221051

數據於2024-06-12公開中

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