PDB: 156 件ウェブページステータス検索Chemie searchBIRD

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5LAV	Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) in complex with compound 6b 分子名称: (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 著者 Kessler, D, Gollner, A. 登録日 2016-06-15 公開日 2016-11-02 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 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
5HMI	HDM2 in complex with a 3,3-Disubstituted Piperidine 分子名称: 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 著者 Scapin, G. 登録日 2016-01-16 公開日 2016-04-06 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors. Acs Med.Chem.Lett., 7, 2016
8GJS	Stapled Peptide ALRN-6924 Bound to MDMX 分子名称: ACE-LEU-THR-PHE-ALA-GLU-TYR-TRP-ALA-GLN-LEU-DAL-ALA-ALA-ALA-ALA-ALA-DAL, Protein Mdm4 著者 Graves, B.J, Janson, C, Lukacs, C. 登録日 2023-03-16 公開日 2023-07-26 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Discovery of Sulanemadlin (ALRN-6924), the First Cell-Permeating, Stabilized alpha-Helical Peptide in Clinical Development. J.Med.Chem., 66, 2023
6I3S	Crystal structure of MDM2 in complex with compound 13. 分子名称: (3~{S},3'~{R},3'~{a}~{S},6'~{a}~{R})-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-(cyclopropylmethyl)spiro[1~{H}-indole-3,2'-3~{a},6~{a}-dihydro-3~{H}-pyrrolo[3,4-b]pyrrole]-2,4'-dione, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ... 著者 Bader, G, Kessler, D. 登録日 2018-11-07 公開日 2018-12-19 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Targeted Synthesis of Complex Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-ones by Intramolecular Cyclization of Azomethine Ylides: Highly Potent MDM2-p53 Inhibitors. ChemMedChem, 14, 2019
3JZS	Human MDM2 liganded with a 12mer peptide inhibitor (pDIQ) 分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase Mdm2, pDIQ peptide (12mer) 著者 Schonbrunn, E, Phan, J. 登録日 2009-09-24 公開日 2009-11-10 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX. J.Biol.Chem., 285, 2010
6KZU	Macrocyclization of an all-D linear peptide improves target affinity and imparts cellular activity: A novel stapled alpha-helical peptide modality 分子名称: 2JN-DAL-E03-DTY-2JN-DSG-TDF-DGL-MK8-DLE-DLE-2JN, E3 ubiquitin-protein ligase Mdm2 著者 Jiang, S, Brown, C.J. 登録日 2019-09-25 公開日 2019-10-16 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Macrocyclization of an all-d linear alpha-helical peptide imparts cellular permeability. Chem Sci, 11, 2020
6HFA	Crystal structure of hDM2 in complex with a C-terminal triurea capped peptide chimera foldamer. 分子名称: E3 ubiquitin-protein ligase Mdm2, LM266, 1-[(2~{S})-2-azanyl-3-methyl-butyl]urea 著者 Buratto, J, Mauran, L, Goudreau, S, Fribourg, S, Guichard, G. 登録日 2018-08-21 公開日 2020-07-08 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers. Angew.Chem.Int.Ed.Engl., 2020
5HMH	HDM2 in complex with a 3,3-Disubstituted Piperidine 分子名称: 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 著者 Scapin, G. 登録日 2016-01-16 公開日 2016-04-06 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors. Acs Med.Chem.Lett., 7, 2016
6T2D	Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions 分子名称: 2-(methylamino)-~{N}-[[4-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ... 著者 Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M. 登録日 2019-10-08 公開日 2020-01-29 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions. Angew.Chem.Int.Ed.Engl., 59, 2020
3DAC	Structure of the human Mdmx protein bound to the p53 tumor suppressor transactivation domain 分子名称: Cellular tumor antigen p53, Mdm4 protein 著者 Popowicz, G.M, Czarna, A, Holak, T.A. 登録日 2008-05-29 公開日 2008-09-02 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure of the human Mdmx protein bound to the p53 tumor suppressor transactivation domain. Cell Cycle, 7, 2008
4ZYF	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 分子名称: (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 著者 Kallen, J. 登録日 2015-05-21 公開日 2015-07-29 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 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
6Q96	HDM2 (17-111, WILD TYPE) COMPLEXED WITH COMPOUND 12 AT 1.8A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes 分子名称: 4-[(4~{S})-5-(5-chloranyl-2-oxidanylidene-1~{H}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile, E3 ubiquitin-protein ligase Mdm2, SULFATE ION 著者 Kallen, J. 登録日 2018-12-17 公開日 2019-05-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.8 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
4ODE	Co-Crystal Structure of MDM2 with Inhibitor Compound 4 分子名称: (2-{[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}-1,3-thiazol-5-yl)acetic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION 著者 Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. 登録日 2014-01-10 公開日 2014-04-02 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.8 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
4OCC	co-crystal structure of MDM2(17-111) in complex with compound 48 分子名称: E3 ubiquitin-protein ligase Mdm2, [(2R,5R,6R)-4-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid 著者 Huang, X. 登録日 2014-01-08 公開日 2014-04-02 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.8 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
4ERE	crystal structure of MDM2 (17-111) in complex with compound 23 分子名称: E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(3R,5R,6S)-1-[(2S)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid 著者 Huang, X. 登録日 2012-04-20 公開日 2012-05-23 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure-based design of novel inhibitors of the MDM2-p53 interaction. J.Med.Chem., 55, 2012
3G03	Structure of human MDM2 in complex with high affinity peptide 分子名称: E3 ubiquitin-protein ligase Mdm2, High affinity synthetic peptide 著者 Czarna, A.L, Popowicz, G.M, Holak, T.A. 登録日 2009-01-27 公開日 2009-04-14 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 High affinity interaction of the p53 peptide-analogue with human Mdm2 and Mdmx. Cell Cycle, 8, 2009
5VK0	Crystal structure of human MDM2 in complex with a 12-mer lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI 分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, Lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI 著者 Tolbert, W.D, Gohain, N, Pazgier, M. 登録日 2017-04-20 公開日 2018-04-25 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Dithiocarbamate-inspired side chain stapling chemistry for peptide drug design. Chem Sci, 10, 2019
3TPX	Crystal structure of human MDM2 in complex with a trifluoromethylated D-peptide inhibitor 分子名称: ACETATE ION, CHLORIDE ION, D-peptide inhibitor DPMI-delta, ... 著者 Wu, X, Pazgier, M. 登録日 2011-09-08 公開日 2012-06-20 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 An Ultrahigh Affinity d-Peptide Antagonist Of MDM2. J.Med.Chem., 55, 2012
2GV2	MDM2 in complex with an 8-mer p53 peptide analogue 分子名称: 8-MER P53 PEPTIDE ANALOGUE, E3 ubiquitin-protein ligase Mdm2 著者 Schubert, C, Sakurai, K. 登録日 2006-05-02 公開日 2006-09-05 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystallographic Analysis of an 8-mer p53 Peptide Analogue Complexed with MDM2. J.Am.Chem.Soc., 128, 2006
7BMG	Inhibitor of MDM2-p53 Interaction 分子名称: (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 著者 Williams, P.A. 登録日 2021-01-20 公開日 2021-04-07 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.83 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
7NA4	HDM2 in complex with compound 63 分子名称: 3-[4-(5-chloropyridin-3-yl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one, CHLORIDE ION, GLYCEROL, ... 著者 Scapin, G. 登録日 2021-06-19 公開日 2021-11-10 最終更新日 2021-11-24 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction. J.Med.Chem., 64, 2021
5J7G	Structure of MDM2 with low molecular weight inhibitor with aliphatic linker. 分子名称: 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 著者 Twarda-Clapa, A, Kubica, K, Guzik, K, Dubin, G, Holak, T.A. 登録日 2016-04-06 公開日 2017-05-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 1,4,5-Trisubstituted Imidazole-Based p53-MDM2/MDMX Antagonists with Aliphatic Linkers for Conjugation with Biological Carriers. J. Med. Chem., 60, 2017
8F12	Structure of the MDM2 P53 binding domain in complex with H103, an all-D Helicon Polypeptide 分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, H103, ... 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 (1.86 Å) 主引用文献 Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display Chemrxiv, 2023
7NA2	HDM2 in complex with compound 56 分子名称: 3-[4-(5-chloropyridin-3-yl)-2-[(4aR,7aR)-hexahydrocyclopenta[b][1,4]oxazin-4(4aH)-yl]-3-{[(1r,4R)-4-methylcyclohexyl]methyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one, Isoform 11 of E3 ubiquitin-protein ligase Mdm2 著者 Scapin, G. 登録日 2021-06-19 公開日 2021-11-10 最終更新日 2021-11-24 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction. J.Med.Chem., 64, 2021
4HBM	Ordering of the N Terminus of Human MDM2 by Small Molecule Inhibitors 分子名称: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-hydroxybutan-2-yl]-2-oxopiperidin-3-yl}acetic acid 著者 Huang, X. 登録日 2012-09-28 公開日 2012-10-17 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Ordering of the N-terminus of human MDM2 by small molecule inhibitors. J.Am.Chem.Soc., 134, 2012

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