8R5C
| Crystal structure of human TRIM7 PRYSPRY domain bound to (2-(1-oxoisoindolin-2-yl)-3-phenylpropanoyl)-L-glutamine | Descriptor: | (2~{S})-5-azanyl-5-oxidanylidene-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]pentanoic acid, 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM7, ... | Authors: | Munoz Sosa, C.J, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-11-16 | Release date: | 2024-01-17 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A C-Degron Structure-Based Approach for the Development of Ligands Targeting the E3 Ligase TRIM7. Acs Chem.Biol., 19, 2024
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8R5D
| Crystal structure of human TRIM7 PRYSPRY domain | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM7, MALONIC ACID | Authors: | Munoz Sosa, C.J, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-11-16 | Release date: | 2024-01-17 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A C-Degron Structure-Based Approach for the Development of Ligands Targeting the E3 Ligase TRIM7. Acs Chem.Biol., 19, 2024
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6YS3
| Cryo-EM structure of the 50S ribosomal subunit at 2.58 Angstroms with modeled GBC SecM peptide | Descriptor: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Schulte, L, Reitz, J, Kudlinzki, D, Hodirnau, V.V, Frangakis, A, Schwalbe, H. | Deposit date: | 2020-04-20 | Release date: | 2020-09-30 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (2.58 Å) | Cite: | Cryo-EM structure of the 50S ribosomal subunit at 2.58 Angstroms with modeled GBC SecM peptide Nat Commun, 2020
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6QDW
| Cryo-EM structure of the 50S ribosomal subunit at 2.83 Angstroms with modeled GBC SecM peptide | Descriptor: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Schulte, L, Reitz, J, Hodirnau, V.V, Kudlinzki, D, Mao, J, Glaubitz, C, Frangakis, A, Schwalbe, H. | Deposit date: | 2019-01-03 | Release date: | 2020-01-15 | Last modified: | 2020-12-02 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Cysteine oxidation and disulfide formation in the ribosomal exit tunnel. Nat Commun, 11, 2020
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2EWA
| Dual binding mode of pyridinylimidazole to MAP kinase p38 | Descriptor: | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, Mitogen-activated protein kinase 14 | Authors: | Delarbre, L, Pouzieux, S, Guilloteau, J.-P, Michot, N. | Deposit date: | 2005-11-02 | Release date: | 2006-08-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | NMR characterization of kinase p38 dynamics in free and ligand-bound forms. Angew.Chem.Int.Ed.Engl., 45, 2006
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8BIN
| Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with MR21 | Descriptor: | 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-(2-chlorophenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Ephrin type-A receptor 2 | Authors: | Zhubi, R, Rak, M, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) | Deposit date: | 2022-11-02 | Release date: | 2022-11-23 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Back-Pocket Optimization of 2-Aminopyrimidine-Based Macrocycles Leads to Potent EPHA2/GAK Kinase Inhibitors. J.Med.Chem., 67, 2024
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8BOG
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 7 | Descriptor: | Ephrin type-A receptor 2, ~{N}-[4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide | Authors: | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | Deposit date: | 2022-11-15 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor. Chemistry, 29, 2023
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8BOD
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 20 | Descriptor: | Ephrin type-A receptor 2, ~{N}-[3,5-bis(chloranyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | Authors: | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | Deposit date: | 2022-11-15 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor. Chemistry, 29, 2023
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8BOI
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 9 | Descriptor: | 4-methyl-~{N}-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide, Ephrin type-A receptor 2 | Authors: | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | Deposit date: | 2022-11-15 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor. Chemistry, 29, 2023
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8BOM
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 14 | Descriptor: | Ephrin type-A receptor 2, ~{N}-(3-methoxyphenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | Authors: | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | Deposit date: | 2022-11-15 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor. Chemistry, 29, 2023
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8BOK
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 11 | Descriptor: | Ephrin type-A receptor 2, ~{N}-(3,5-dimethoxyphenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | Authors: | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | Deposit date: | 2022-11-15 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor. Chemistry, 29, 2023
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8BOH
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 8 | Descriptor: | 4-methyl-~{N}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide, Ephrin type-A receptor 2 | Authors: | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | Deposit date: | 2022-11-15 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor. Chemistry, 29, 2023
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8BOF
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 12 | Descriptor: | 4-methyl-~{N}-(3-methylphenyl)-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide, Ephrin type-A receptor 2 | Authors: | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | Deposit date: | 2022-11-15 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor. Chemistry, 29, 2023
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8BOC
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 19 | Descriptor: | Ephrin type-A receptor 2, ~{N}-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | Authors: | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | Deposit date: | 2022-11-15 | Release date: | 2023-11-29 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor. Chemistry, 29, 2023
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4YTI
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4YTC
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4YTH
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4YTF
| Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases | Descriptor: | N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-L-alaninamide, Tyrosine-protein kinase JAK2 | Authors: | Farmer, L, Ledeboer, M.W, Zuccola, H.J. | Deposit date: | 2015-03-17 | Release date: | 2015-08-12 | Last modified: | 2015-10-07 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases. J.Med.Chem., 58, 2015
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8BB5
| Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with Aryl linker | Descriptor: | 1,2-ETHANEDIOL, Elongin-B, Elongin-C, ... | Authors: | Kraemer, A, Doelle, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2022-10-12 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization. Cell Chem Biol, 30, 2023
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8BB4
| Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with C3 linker | Descriptor: | Elongin-B, Elongin-C, WD repeat-containing protein 5, ... | Authors: | Kraemer, A, Doelle, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2022-10-12 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization. Cell Chem Biol, 30, 2023
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8C13
| Crystal structure of pVHL:ElonginC:ElonginB complex bound to PROTAC JW48 | Descriptor: | (2~{S},4~{R})-1-[(2~{S})-2-[3-[2-[2-[2-(acetamidomethyl)-4-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-2-yl)phenoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Kraemer, A, Weckesser, J, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2022-12-20 | Release date: | 2022-12-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization. Cell Chem Biol, 30, 2023
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1I3Z
| MURINE EAT2 SH2 DOMAIN IN COMPLEX WITH SLAM PHOSPHOPEPTIDE | Descriptor: | EWS/FLI1 ACTIVATED TRANSCRIPT 2, SIGNALING LYMPHOCYTIC ACTIVATION MOLECULE | Authors: | Lu, J, Poy, F, Morra, M, Terhorst, C, Eck, M.J. | Deposit date: | 2001-02-19 | Release date: | 2003-04-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural basis for the interaction of the free SH2 domain EAT-2 with
SLAM receptors in hematopoietic cells. Eur.J.Biochem., 20, 2001
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5LCU
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5LCQ
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5M0B
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