PDB: 155 件ウェブページステータス検索Chemie searchBIRD

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6Q9L	HDM2 (17-111, WILDTYPE) COMPLEXED WITH COMPOUND 9 AT 1.13A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes 分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, [6-chloranyl-3-[3-[[4-chloranyl-2-(hydroxymethyl)phenyl]methyl]-5-phenyl-imidazol-4-yl]-1~{H}-indol-2-yl]-[(3~{S})-3-[3-(dimethylamino)propyl-methyl-amino]pyrrolidin-1-yl]methanone 著者 Kallen, J. 登録日 2018-12-18 公開日 2019-05-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.13 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
4LWU	The 1.14A Crystal Structure of Humanized Xenopus MDM2 with RO5499252 分子名称: (2'S,3R,4'S,5'R)-N-(4-carbamoylphenyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, SULFATE ION 著者 Graves, B.J, Lukacs, C, Janson, C.A. 登録日 2013-07-28 公開日 2014-07-16 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.14 Å) 主引用文献 Discovery of potent and selective spiroindolinone MDM2 inhibitor, RO8994, for cancer therapy. Bioorg.Med.Chem., 22, 2014
5C5A	Crystal Structure of HDM2 in complex with Nutlin-3a 分子名称: 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, ... 著者 Orts, J, Waelti, M.A, Marsh, M, Vera, L, Gossert, A.D, Guentert, P, Riek, R. 登録日 2015-06-19 公開日 2016-06-29 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.146 Å) 主引用文献 NMR Molecular Replacement, NMR2 To Be Published
4J74	The 1.2A crystal structure of humanized Xenopus MDM2 with RO0503918 - a nutlin fragment 分子名称: (4S,5R)-4,5-bis(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-imidazole, E3 ubiquitin-protein ligase Mdm2, SULFATE ION 著者 Janson, C, Lukacs, C, Kammlott, U, Graves, B. 登録日 2013-02-12 公開日 2013-08-07 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Deconstruction of a nutlin: dissecting the binding determinants of a potent protein-protein interaction inhibitor. ACS Med Chem Lett, 4, 2013
6Q9O	HDM2 (17-111, WILDTYPE) COMPLEXED WITH COMPOUND 10 AT 1.21A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes 分子名称: E3 ubiquitin-protein ligase Mdm2, ~{N}-~{tert}-butyl-2-[4-chloranyl-2-[5-(3-chloranyl-4-fluoranyl-phenyl)-2-cyclohexyl-4-(1~{H}-1,2,3,4-tetrazol-5-yl)imidazol-1-yl]phenyl]ethanamide 著者 Kallen, J. 登録日 2018-12-18 公開日 2019-05-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.21 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
4J7D	The 1.25A crystal structure of humanized Xenopus MDM2 with a nutlin fragment, RO5045331 分子名称: (4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole, E3 ubiquitin-protein ligase Mdm2, SULFATE ION 著者 Janson, C, Lukacs, C, Graves, B. 登録日 2013-02-13 公開日 2013-08-07 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Deconstruction of a nutlin: dissecting the binding determinants of a potent protein-protein interaction inhibitor. ACS Med Chem Lett, 4, 2013
6V4G	Crystal Structure Analysis of Zebra fish MDMX 分子名称: Protein Mdm4, SULFATE ION, Stapled peptide QSQQTF(0EH)NLWRLE(MK8)QN(NH2) 著者 Seo, H.-S, Dhe-Paganon, S. 登録日 2019-11-27 公開日 2020-04-22 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Identification of a Structural Determinant for Selective Targeting of HDMX. Structure, 28, 2020
5ZXF	The 1.25A Crystal structure of His6-tagged Mdm2 in complex with nutlin-3a 分子名称: 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 著者 Cheng, X.Y, Su, Z.D, Pi, N, Cao, C.Z, Zhao, Z.T, Zhou, J.J, Chen, R, Kuang, Z.K, Huang, Y.Q. 登録日 2018-05-19 公開日 2018-08-22 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 The 1.25A Crystal structure of His6-tagged Mdm2 in complex with nutlin-3a To Be Published
7QDQ	Crystal Structure of HDM2 in complex with Caylin-1 分子名称: CHLORIDE ION, Caylin-1, DIMETHYL SULFOXIDE, ... 著者 Finke, A.D, Walti, M.A, Marsh, M.E, Orts, J. 登録日 2021-11-29 公開日 2022-10-05 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.26 Å) 主引用文献 Elucidation of a nutlin-derivative-HDM2 complex structure at the interaction site by NMR molecular replacement: A straightforward derivation J Magn Reson Open, 10-11, 2022
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
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
6V4F	Crystal Structure Analysis of Zebra Fish MDMX 分子名称: Protein Mdm4, SULFATE ION, Stapled Peptide LSQETF(0EH)DLWKLE(MK8)EN(NH2) 著者 Seo, H.-S, Dhe-Paganon, S. 登録日 2019-11-27 公開日 2020-04-22 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Identification of a Structural Determinant for Selective Targeting of HDMX. Structure, 28, 2020
5Z02	Crystal structure of HIS6-tagged Mdm2 with nutlin-3a 分子名称: 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 著者 Su, Z.D, Cheng, X.Y, Chen, R, Pi, N. 登録日 2017-12-18 公開日 2018-01-03 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Crystal structure of HIS6-tagged Mdm2 with nutlin-3a to be published
4OGN	Co-Crystal Structure of MDM2 with Inhbitor Compound 3 分子名称: 6-{[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}pyridine-3-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION 著者 Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. 登録日 2014-01-16 公開日 2014-04-02 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.377 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
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
2AXI	HDM2 in complex with a beta-hairpin 分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, SULFATE ION, Ubiquitin-protein ligase E3 Mdm2, ... 著者 Mittl, P.R.E, Fasan, R, Robinson, J, Gruetter, M.G. 登録日 2005-09-05 公開日 2006-03-21 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Structure-Activity Studies in a Family of beta-Hairpin Protein Epitope Mimetic Inhibitors of the p53-HDM2 Protein-Protein Interaction. Chembiochem, 7, 2006
7KJM	CRYSTAL STRUCTURE OF HUMAN MDM2 IN COMPLEX WITH D-PEPTIDE INHIBITOR (DPMI-OMEGA) 分子名称: CHLORIDE ION, D-PMI-omega, DI(HYDROXYETHYL)ETHER, ... 著者 Tolbert, W.D, Pazgier, M. 登録日 2020-10-26 公開日 2021-11-17 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 CRYSTAL STRUCTURE OF HUMAN MDM2 IN COMPLEX WITH D-PEPTIDE INHIBITOR (DPMI-OMEGA) To Be Published
4WT2	Co-crystal Structure of MDM2 in Complex with AM-7209 分子名称: 4-({[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetyl}amino)-2-methoxybenzoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION 著者 Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. 登録日 2014-10-30 公開日 2014-12-03 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 Discovery of AM-7209, a Potent and Selective 4-Amidobenzoic Acid Inhibitor of the MDM2-p53 Interaction. J.Med.Chem., 57, 2014
7NUS	X-RAY STRUCTURE OF HDM2/CMR19 AT 1.45A: Discovery, X-ray structure and CPP-conjugation enabled uptake of p53/MDM2 macrocyclic peptide inhibitors 分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, SULFATE ION, ... 著者 Kallen, J. 登録日 2021-03-13 公開日 2021-09-22 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Discovery, X-ray structure and CPP-conjugation enabled uptake of p53/MDM2 macrocyclic peptide inhibitors. Rsc Chem Biol, 2, 2021
4UE1	Structure of the stapled peptide YS-01 bound to MDM2 分子名称: E3 UBIQUITIN-PROTEIN LIGASE MDM2, YS-01 著者 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. 登録日 2014-12-14 公開日 2016-01-13 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design. J Phys Chem Lett, 7, 2016
6V4H	Crystal Structure Analysis of Zebra Fish MDMX 分子名称: Protein Mdm4, Stapled Peptide LSQETF(0EH)DLWKLL(MK8)EN(NH2) 著者 Seo, H.-S, Dhe-Paganon, S. 登録日 2019-11-27 公開日 2020-04-22 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Identification of a Structural Determinant for Selective Targeting of HDMX. Structure, 28, 2020
4OGT	Co-Crystal Structure of MDM2 with Inhbitor Compound 46 分子名称: 6-{[(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION 著者 Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. 登録日 2014-01-16 公開日 2014-04-02 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.5361 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
5OC8	HDM2 (17-111, WILD TYPE) COMPLEXED WITH NVP-HDM201 AT 1.56A 分子名称: (4~{S})-5-(5-chloranyl-1-methyl-2-oxidanylidene-pyridin-3-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-d]imidazol-6-one, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2 著者 Kallen, J. 登録日 2017-06-29 公開日 2018-08-22 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 Dose and Schedule Determine Distinct Molecular Mechanisms Underlying the Efficacy of the p53-MDM2 Inhibitor HDM201. Cancer Res., 78, 2018
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
7BJ6	Inhibitor of MDM2-p53 Interaction 分子名称: (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, ... 著者 Williams, P.A. 登録日 2021-01-14 公開日 2021-04-07 最終更新日 2021-04-21 実験手法 X-RAY DIFFRACTION (1.59 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

 

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