PDB: 2435 resultsInfo pagesStatus searchChemie searchBIRD

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6SFB	EED in complex with a triazolopyrimidine Descriptor: GLYCEROL, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED Authors: Read, J.A. Deposit date: 2019-08-01 Release date: 2019-09-25 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (1.52 Å) Cite: Rapid Identification of Novel Allosteric PRC2 Inhibitors. Acs Chem.Biol., 14, 2019
6U80	Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction Descriptor: 5-bromo-N-(4-hydroxy[1,1'-biphenyl]-3-yl)-2-methoxybenzene-1-sulfonamide, WD repeat-containing protein 5 Authors: Zhao, B, Wang, F. Deposit date: 2019-09-04 Release date: 2019-12-04 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction. J.Med.Chem., 62, 2019
6UFX	WD repeat-containing protein 5 complexed with N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide (compound 13) Descriptor: N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide, WD repeat-containing protein 5 Authors: Rietz, T.A, Fesik, S.W, Zhao, B. Deposit date: 2019-09-25 Release date: 2020-01-01 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.015 Å) Cite: Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core. J.Med.Chem., 63, 2020
6UCS	Discovery and Structure-Based optimization of potent and selective WDR5 inhibitors containing a dihydroisoquinolinone bicyclic core Descriptor: 2-amino-3-{[(5P)-2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoro-2-methylphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-1-methyl-1H-imidazol-3-ium, WD repeat-containing protein 5 Authors: Zhao, B. Deposit date: 2019-09-17 Release date: 2020-01-01 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core. J.Med.Chem., 63, 2020
6UIF	Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction Descriptor: 4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-N-methyl-1H-imidazole-2-carboxamide, WD repeat domain 5 Authors: Zhao, B. Deposit date: 2019-09-30 Release date: 2020-04-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.603 Å) Cite: Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020
6U5Y	Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction Descriptor: 3-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-5-(1-cyanocyclobutyl)-2-hydroxy-N-methylbenzamide, WD repeat-containing protein 5 Authors: Zhao, B, Wang, F. Deposit date: 2019-08-28 Release date: 2019-12-04 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.532 Å) Cite: Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction. J.Med.Chem., 62, 2019
6UIK	Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction Descriptor: 5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide, WD repeat domanin 5 Authors: Zhao, B. Deposit date: 2019-10-01 Release date: 2020-04-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020
8HMX	WDR5 in complex with histone H3Q5his peptide Descriptor: WD repeat-containing protein 5, histone H3Q5his peptide Authors: Li, H.T, Zhao, S, Wang, H.F. Deposit date: 2022-12-06 Release date: 2023-12-13 Method: X-RAY DIFFRACTION (1.7 Å) Cite: WDR5 in complex with histone H3Q5his peptide To Be Published
8HQX	The complex structure of COPI cargo sorting module with TAT-WDM peptide Descriptor: Coatomer subunit beta', TAT-WDM KxKxx motif Authors: Ma, W.F, Nan, Y.N, Yang, M.R, Li, Y.Q. Deposit date: 2022-12-14 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (1.538 Å) Cite: The complex structure of COPI cargo sorting module with TAT-WDM peptide To Be Published
8HQW	The complex structure of COPI cargo sorting module with MHV Spike Hxx sorting motif Descriptor: Coatomer subunit beta',MHV Spike Hxx sorting motif Authors: Ma, W.F, Nan, Y.N, Yang, M.R, Li, Y.Q. Deposit date: 2022-12-14 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (1.405 Å) Cite: Tighter ER retention of SARS-CoV-2 Omicron spike caused by a constellation of folding disruptive mutations To Be Published
8HQV	The complex structure of COPI cargo sorting module with HCoV-OC43 Spike KTSHxx sorting motif Descriptor: Coatomer subunit beta', HCoV-OC43 Spike KTSHxx sorting motif Authors: Ma, W.F, Nan, Y.N, Yang, M.R, Li, Y.Q. Deposit date: 2022-12-14 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (1.398 Å) Cite: Tighter ER retention of SARS-CoV-2 Omicron spike caused by a constellation of folding disruptive mutations To Be Published
8HQT	The complex structure of COPI cargo sorting module with SARS-CoV-2 Spike KxHxx sorting motif Descriptor: Coatomer subunit beta', SARS-CoV-2 Spike KxHxx motif Authors: Ma, W.F, Nan, Y.N, Yang, M.R, Li, Y.Q. Deposit date: 2022-12-14 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Tighter ER retention of SARS-CoV-2 Omicron spike caused by a constellation of folding disruptive mutations To Be Published
7MSB	Structure of EED bound to EEDi-4259 Descriptor: (9aM,12aS)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, Polycomb protein EED Authors: Petrunak, E, Stuckey, J. Deposit date: 2021-05-11 Release date: 2021-10-20 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression. J.Med.Chem., 64, 2021
7MSD	Structure of EED bound to EEDi-6068 Descriptor: (9aP,12aR)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, FORMIC ACID, Polycomb protein EED Authors: Petrunak, E, Stuckey, J. Deposit date: 2021-05-11 Release date: 2021-10-20 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression. J.Med.Chem., 64, 2021
7MT1	Crystal structure of Human Platelet-activating factor acetylhydrolase IB subunit beta (PAFAH1B1) Descriptor: GLYCEROL, Platelet-activating factor acetylhydrolase IB subunit beta, UNKNOWN ATOM OR ION Authors: Hutchinson, A, Seitova, A, Dong, A, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Halabelian, L, Structural Genomics Consortium (SGC) Deposit date: 2021-05-12 Release date: 2021-06-09 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Crystal structure of Human Platelet-activating factor acetylhydrolase IB subunit beta (PAFAH1B1) To Be Published
6U5M	Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction Descriptor: 5-bromo-2-hydroxy-N-[3-(methylsulfonyl)-5-(pentafluoro-lambda~6~-sulfanyl)phenyl]benzene-1-sulfonamide, WD repeat-containing protein 5 Authors: Zhao, B, Wang, F. Deposit date: 2019-08-28 Release date: 2019-12-04 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction. J.Med.Chem., 62, 2019
6UJH	Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction Descriptor: (2R)-2-(4-chlorophenyl)-3-oxobutanenitrile, DIMETHYL SULFOXIDE, SULFATE ION, ... Authors: Phan, J, Fesik, S.W. Deposit date: 2019-10-03 Release date: 2020-04-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.493 Å) Cite: Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020
6U8B	Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction Descriptor: 3-{[(5-bromo-2-methoxyphenyl)sulfonyl]amino}-5-chloro-2-hydroxybenzoic acid, WD repeat-containing protein 5 Authors: Zhao, B, Wang, F. Deposit date: 2019-09-04 Release date: 2019-12-04 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.261 Å) Cite: Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction. J.Med.Chem., 62, 2019
6U6W	Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction Descriptor: 5-bromo-N-(5-chloro-2-hydroxyphenyl)-2-methoxybenzene-1-sulfonamide, WD repeat-containing protein 5 Authors: Zhao, B, Wang, F. Deposit date: 2019-08-30 Release date: 2019-12-04 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction. J.Med.Chem., 62, 2019
6UJ4	Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction Descriptor: 5-bromo-3-chloro-N-(1-cyclopentyl-2-methyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide, WD repeat domain 5 Authors: Zhao, B. Deposit date: 2019-10-02 Release date: 2020-04-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.53 Å) Cite: Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020
6UJL	Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction Descriptor: 6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol, WD repeat-containing protein 5 Authors: Phan, J. Deposit date: 2019-10-03 Release date: 2020-04-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.599 Å) Cite: Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020
6U8O	Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction Descriptor: 5-bromo-N-[5-(1-cyanocyclobutyl)-2-hydroxyphenyl]-2-hydroxybenzene-1-sulfonamide, WD repeat-containing protein 5 Authors: Zhao, B, Wang, F. Deposit date: 2019-09-05 Release date: 2019-12-04 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction. J.Med.Chem., 62, 2019
6U8L	Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction Descriptor: 3-{[(5-bromo-2-hydroxyphenyl)sulfonyl]amino}-5-cyclopropyl-6-fluoro-2-hydroxybenzoic acid, N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]isoquinolin-1-amine, WD repeat-containing protein 5 Authors: Zhao, B, Wang, F. Deposit date: 2019-09-05 Release date: 2019-12-04 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.57 Å) Cite: Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction. J.Med.Chem., 62, 2019
6UJJ	Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction Descriptor: 5-[4-(trifluoromethyl)phenyl]-1H-tetrazole, WD repeat-containing protein 5 Authors: Phan, J. Deposit date: 2019-10-03 Release date: 2020-04-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.731 Å) Cite: Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020
6UHY	WDR5 in complex with Myc site fragment inhibitor Descriptor: 1-cyclohexyl-1H-benzimidazole-5-carboxylic acid, WDR5 Authors: Wang, F, Fesik, S.W. Deposit date: 2019-09-29 Release date: 2020-04-15 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.26 Å) Cite: Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020

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