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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
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
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
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
3TJ2
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BU of 3tj2 by Molmil
Structure of a novel submicromolar MDM2 inhibitor
Descriptor: 3-{(1S)-2-(tert-butylamino)-1-[(4-chlorobenzyl)(formyl)amino]-2-oxoethyl}-6-chloro-1H-indole-2-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, POTASSIUM ION
Authors:Wolf, S, Huang, Y, Popowicz, G.M, Goda, S, Holak, T.A, Doemling, A.
Deposit date:2011-08-23
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ugi Multicomponent Reaction Derived p53-Mdm2 Antagonists
To be published
7BJ6
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BU of 7bj6 by Molmil
Inhibitor of MDM2-p53 Interaction
Descriptor: (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, ...
Authors:Williams, P.A.
Deposit date:2021-01-14
Release date:2021-04-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
7BIT
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BU of 7bit by Molmil
Inhibitor of MDM2-p53 Interaction
Descriptor: (3~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[(1-oxidanylcyclopropyl)methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Williams, P.A.
Deposit date:2021-01-13
Release date:2021-04-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
7BJ0
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BU of 7bj0 by Molmil
Inhibitor of MDM2-p53 Interaction
Descriptor: (3~{R})-4-chloranyl-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-2-[(4-nitrophenyl)methyl]isoindol-1-one, E3 ubiquitin-protein ligase Mdm2
Authors:Williams, P.A.
Deposit date:2021-01-13
Release date:2021-04-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
7BMG
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BU of 7bmg by Molmil
Inhibitor of MDM2-p53 Interaction
Descriptor: (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
Authors:Williams, P.A.
Deposit date:2021-01-20
Release date:2021-04-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
7BIV
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BU of 7biv by Molmil
Inhibitor of MDM2-p53 Interaction
Descriptor: 1,2-ETHANEDIOL, 6-[[(1~{R})-1-(4-chlorophenyl)-7-fluoranyl-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-2-yl]methyl]pyridine-3-carbonitrile, DIMETHYL SULFOXIDE, ...
Authors:Williams, P.A.
Deposit date:2021-01-13
Release date:2021-04-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
7BIR
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BU of 7bir by Molmil
Inhibitor of MDM2-p53 Interaction
Descriptor: 1-[[(1~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-1-(4-chlorophenyl)-7-fluoranyl-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Williams, P.A.
Deposit date:2021-01-13
Release date:2021-04-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
6T2E
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BU of 6t2e by Molmil
Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions
Descriptor: E3 ubiquitin-protein ligase Mdm2, Stapled peptide GAR300-Gm
Authors:Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M.
Deposit date:2019-10-08
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 59, 2020
6T2F
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BU of 6t2f by Molmil
Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions
Descriptor: 2-(methylamino)-~{N}-[[3-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide, E3 ubiquitin-protein ligase Mdm2, MDM2 in complex with GAR300-Am
Authors:Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M.
Deposit date:2019-10-08
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 59, 2020
3TU1
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BU of 3tu1 by Molmil
Exhaustive Fluorine Scanning towards Potent p53-MDM2 Antagonist
Descriptor: 3-[(1S)-2-(tert-butylamino)-1-{N-[(3,4-difluorophenyl)methyl]formamido}-2-oxoethyl]-6-chloro-1H-indole-2-carboxylic acid, E3 ubiquitin-protein ligase Mdm2
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:2024-05-29
Method:X-RAY DIFFRACTION (1.603 Å)
Cite:Exhaustive Fluorine Scanning toward Potent p53-Mdm2 Antagonists.
Chemmedchem, 7, 2012
6T2D
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BU of 6t2d by Molmil
Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions
Descriptor: 2-(methylamino)-~{N}-[[4-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ...
Authors:Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M.
Deposit date:2019-10-08
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 59, 2020
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
3V3B
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BU of 3v3b by Molmil
Structure of the Stapled p53 Peptide Bound to Mdm2
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, SAH-p53-8 stapled-peptide
Authors:Baek, S, Kutchukian, P.S, Verdine, G.L, Huber, R, Holak, T.A, Ki Won, L, Popowicz, G.M.
Deposit date:2011-12-13
Release date:2012-01-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the stapled p53 peptide bound to Mdm2.
J.Am.Chem.Soc., 134, 2012
3TPX
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BU of 3tpx by Molmil
Crystal structure of human MDM2 in complex with a trifluoromethylated D-peptide inhibitor
Descriptor: ACETATE ION, CHLORIDE ION, D-peptide inhibitor DPMI-delta, ...
Authors:Wu, X, Pazgier, M.
Deposit date:2011-09-08
Release date:2012-06-20
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An Ultrahigh Affinity d-Peptide Antagonist Of MDM2.
J.Med.Chem., 55, 2012
6V4E
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BU of 6v4e by Molmil
Crystal Structure Analysis of Zebra Fish MDM
Descriptor: Protein Mdm4, Stapled peptide QSQQTF(0EH)NLWRLL(MK8)QN(NH2)
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2019-11-27
Release date:2020-04-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Identification of a Structural Determinant for Selective Targeting of HDMX.
Structure, 28, 2020
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
6V4G
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BU of 6v4g by Molmil
Crystal Structure Analysis of Zebra fish MDMX
Descriptor: Protein Mdm4, SULFATE ION, Stapled peptide QSQQTF(0EH)NLWRLE(MK8)QN(NH2)
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2019-11-27
Release date:2020-04-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Identification of a Structural Determinant for Selective Targeting of HDMX.
Structure, 28, 2020
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
1TTV
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BU of 1ttv by Molmil
NMR Structure of a Complex Between MDM2 and a Small Molecule Inhibitor
Descriptor: 1-{[4,5-BIS(4-CHLOROPHENYL)-2-(2-ISOPROPOXY-4-METHOXYPHENYL)-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]CARBONYL}PIPERAZINE, Ubiquitin-protein ligase E3 Mdm2
Authors:Fry, D.C, Emerson, S.D, Palme, S, Vu, B.T, Liu, C.M, Podlaski, F.
Deposit date:2004-06-23
Release date:2005-01-04
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR structure of a complex between MDM2 and a small molecule inhibitor.
J.Biomol.Nmr, 30, 2004
3VBG
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BU of 3vbg by Molmil
Structure of hDM2 with Dimer Inducing Indolyl Hydantoin RO-2443
Descriptor: (5Z)-5-[(6-chloro-7-methyl-1H-indol-3-yl)methylidene]-3-(3,4-difluorobenzyl)imidazolidine-2,4-dione, E3 ubiquitin-protein ligase Mdm2
Authors:Lukacs, C.M, Janson, C.A, Graves, B.J.
Deposit date:2012-01-02
Release date:2012-06-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Activation of the p53 pathway by small-molecule-induced MDM2 and MDMX dimerization.
Proc.Natl.Acad.Sci.USA, 109, 2012
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

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数据于2024-09-18公开中

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