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

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8EBK	Crystal Structure Analysis of xHDMX in complex with the stapled peptide PROTAC analog 分子名称: ACE-LEU-THR-PHE-0EH-GLU-TYR-TRP-ALA-GLN-LEU-MK8-SER-ALA-ALA, HDMX 著者 Seo, H.-S, Dhe-Paganon, S. 登録日 2022-08-31 公開日 2023-10-04 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.29 Å) 主引用文献 Crystal Structure Analysis of xHDMX in complex with the stapled peptide PROTAC analog 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 分子名称: (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, ... 著者 Kallen, J. 登録日 2016-08-02 公開日 2016-09-07 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 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	Structure of the MDM2 P53 binding domain in complex with H102, an all-D Helicon Polypeptide 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, ... 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 (1.28 Å) 主引用文献 Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display Chemrxiv, 2023
8F0Z	Structure of the MDM2 P53 binding domain in complex with H101, an all-D Helicon Polypeptide 分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, H101, ... 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 (1.61 Å) 主引用文献 Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display Chemrxiv, 2023
8F13	Structure of the MDM2 P53 binding domain in complex with H103, an all-D Helicon Polypeptide, alternative C-terminus 分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, E3 ubiquitin-protein ligase Mdm2, ... 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 (1.4 Å) 主引用文献 Single-Shot Flow Synthesis of D-Proteins for Mirror-Image Phage Display Chemrxiv, 2023
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
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
6I29	X-ray structure of the p53-MDM2 inhibitor NMI801 bound to HDM2 at 2.1A resolution 分子名称: 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 著者 Kallen, J. 登録日 2018-11-01 公開日 2019-11-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 p53 dynamics vary between tissues and are linked with radiation sensitivity To be published
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
3JZK	crystal structure of MDM2 with chromenotriazolopyrimidine 1 分子名称: (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 著者 Huang, X. 登録日 2009-09-23 公開日 2009-11-17 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 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	Crystal structure of Mdm2 bound to a stapled peptide 分子名称: 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 著者 Wang, X, Sharma, K, Spring, D.R, Hyvonen, M. 登録日 2018-07-12 公開日 2019-07-31 最終更新日 2019-09-11 実験手法 X-RAY DIFFRACTION (2.006 Å) 主引用文献 Water-soluble, stable and azide-reactive strained dialkynes for biocompatible double strain-promoted click chemistry. Org.Biomol.Chem., 17, 2019
5J7F	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 (2 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
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
3JZR	Human MDM2 liganded with a 12mer peptide inhibitor (pDI6W) 分子名称: E3 ubiquitin-protein ligase Mdm2, pDI6W 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 (2.1 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
4ZFI	Structure of Mdm2 with low molecular weight inhibitor 分子名称: (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 著者 Zak, K.M, Twarda-Clapa, A, Wrona, E.M, Grudnik, P, Dubin, G, Holak, T.A. 登録日 2015-04-21 公開日 2016-10-19 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 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. 分子名称: (5R)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-5-hydroxyfuran-2(5H)-one, E3 ubiquitin-protein ligase Mdm2 著者 Twarda-Clapa, A, Zak, K.M, Wrona, E.M, Grudnik, P, Dubin, G, Holak, T.A. 登録日 2015-04-23 公開日 2016-10-19 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 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	Discovery of dihydroisoquinolinone derivatives as novel inhibitors of the p53-MDM2 interaction with a distinct binding mode: Hdm2 (MDM2) complexed with cpd5 分子名称: (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 著者 Kallen, J. 登録日 2015-05-21 公開日 2015-07-22 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Discovery of dihydroisoquinolinone derivatives as novel inhibitors of the p53-MDM2 interaction with a distinct binding mode. Bioorg.Med.Chem.Lett., 25, 2015
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
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 分子名称: (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 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 (1.67 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
5AFG	Structure of the Stapled Peptide Bound to Mdm2 分子名称: 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 著者 Lau, Y.H, Wu, Y, Rossmann, M, de Andrade, P, Tan, Y.S, McKenzie, G.J, Venkitaraman, A.R, Hyvonen, M, Spring, D.R. 登録日 2015-01-22 公開日 2016-01-27 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Double Strain-Promoted Macrocyclization for the Rapid Selection of Cell-Active Stapled Peptides. Angew.Chem.Int.Ed.Engl., 54, 2015
1RV1	CRYSTAL STRUCTURE OF HUMAN MDM2 WITH AN IMIDAZOLINE INHIBITOR 分子名称: 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 著者 Lukacs, C, Kammlott, U, Graves, B. 登録日 2003-12-12 公開日 2004-01-20 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 In vivo activation of the p53 pathway by small-molecule antagonists of MDM2. Science, 303, 2004
1UHR	Solution structure of the SWIB domain of mouse BRG1-associated factor 60a 分子名称: SWI/SNF related, matrix associated, actin dependent regulator of chromatin subfamily D member 1 著者 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) 登録日 2003-07-09 公開日 2004-08-24 最終更新日 2023-12-27 実験手法 SOLUTION NMR 主引用文献 Solution structure of the SWIB domain of mouse BRG1-associated factor 60a To be Published
1V31	Solution structure of the SWIB/MDM2 domain of the hypothetical protein At5g14170 from Arabidopsis thaliana 分子名称: hypothetical protein RAFL11-05-P19 著者 Yoneyama, M, Tochio, N, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) 登録日 2003-10-21 公開日 2004-04-21 最終更新日 2023-12-27 実験手法 SOLUTION NMR 主引用文献 Solution structure of the SWIB/MDM2 domain of the hypothetical protein At5g14170 from Arabidopsis thaliana To be Published
1V32	Solution structure of the SWIB/MDM2 domain of the hypothetical protein At5g08430 from Arabidopsis thaliana 分子名称: hypothetical protein RAFL09-47-K03 著者 Yoneyama, M, Tochio, N, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) 登録日 2003-10-24 公開日 2004-04-24 最終更新日 2023-12-27 実験手法 SOLUTION NMR 主引用文献 Solution structure of the SWIB/MDM2 domain of the hypothetical protein At5g08430 from Arabidopsis thaliana To be Published
1T4E	Structure of Human MDM2 in complex with a Benzodiazepine Inhibitor 分子名称: (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 著者 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. 登録日 2004-04-29 公開日 2005-02-08 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Discovery and cocrystal structure of benzodiazepinedione HDM2 antagonists that activate p53 in cells J.Med.Chem., 48, 2005

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