PDB: 5425 resultsInfo pagesStatus searchChemie searchBIRD

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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
6U8P	Crystal structure of DNMT3B-DNMT3L in complex with CpGpA DNA Descriptor: CpGpA DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ... Authors: Gao, L, Song, J. Deposit date: 2019-09-05 Release date: 2020-06-10 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (3.05 Å) Cite: Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms. Nat Commun, 11, 2020
6U90	Crystal structure of DNMT3B(N779A)-DNMT3L in complex with CpGpT DNA Descriptor: CpGpT DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ... Authors: Gao, L, Song, J. Deposit date: 2019-09-06 Release date: 2020-06-10 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (3.00081754 Å) Cite: Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms To Be Published
6U9O	Human IMPDH2 treated with ATP, IMP, NAD+, and 2 mM GTP. Fully compressed filament segment reconstruction. Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ... Authors: Johnson, M.C, Kollman, J.M. Deposit date: 2019-09-09 Release date: 2020-03-25 Last modified: 2024-03-20 Method: ELECTRON MICROSCOPY (3.36 Å) Cite: Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation. Elife, 9, 2020
6UE5	Crystal structure of full-length human DCAF15-DDB1-deltaPBP-DDA1-RBM39 in complex with 4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide Descriptor: 4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ... Authors: Knapp, M.S, Shu, W, Xie, L, Bussiere, D.E. Deposit date: 2019-09-20 Release date: 2019-12-18 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.61 Å) Cite: Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex. Nat.Chem.Biol., 16, 2020
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
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
6U5D	RT XFEL structure of CypA solved using LCP injection system Descriptor: Peptidyl-prolyl cis-trans isomerase A Authors: Wolff, A.M, Young, I.D, Sierra, R.G, Brewster, A.S, Koralek, J.D, Boutet, S, Sauter, N.K, Fraser, J.S, Thompson, M.C. Deposit date: 2019-08-27 Release date: 2020-01-29 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals Iucrj, 7, 2020
6U8V	Crystal structure of DNMT3B-DNMT3L in complex with CpGpT DNA Descriptor: CpGpT DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ... Authors: Gao, L, Zhang, Z.M, Song, J. Deposit date: 2019-09-06 Release date: 2020-06-10 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (3 Å) Cite: Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms. Nat Commun, 11, 2020
6U74	BRD4-BD1 in complex with the cyclic peptide 3.1_2 Descriptor: Bromodomain-containing protein 4, cyclic peptide 3.1_2 Authors: Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. Deposit date: 2019-08-31 Release date: 2020-08-19 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Cyclic peptides can engage a single binding pocket through highly divergent modes. Proc.Natl.Acad.Sci.USA, 117, 2020
6UA5	Human IMPDH2 treated with ATP, IMP, NAD+, and 2 mM GTP. Free interfacial octamer reconstruction. Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE Authors: Johnson, M.C, Kollman, J.M. Deposit date: 2019-09-10 Release date: 2020-03-25 Last modified: 2024-03-20 Method: ELECTRON MICROSCOPY (3.79 Å) Cite: Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation. Elife, 9, 2020
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
6U8W	Crystal structure of DNMT3B(K777A)-DNMT3L in complex with CpGpT DNA Descriptor: CpGpT DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ... Authors: Gao, L, Zhang, Z.M, Song, J. Deposit date: 2019-09-06 Release date: 2020-06-10 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.94891548 Å) Cite: Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms. Nat Commun, 11, 2020
6ULP	BRD3-BD2 in complex with the cyclic peptide 3.2_3 Descriptor: Bromodomain-containing protein 3, Cyclic peptide 3.2_3 Authors: Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. Deposit date: 2019-10-08 Release date: 2020-08-19 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Cyclic peptides can engage a single binding pocket through highly divergent modes. Proc.Natl.Acad.Sci.USA, 117, 2020
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
6ULV	BRD4-BD1 in complex with the cyclic peptide 4.2_1 Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bromodomain-containing protein 4, Cyclic peptide 4.2_3, ... Authors: Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. Deposit date: 2019-10-08 Release date: 2020-12-02 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Cyclic peptides can engage a single binding pocket through highly divergent modes. Proc.Natl.Acad.Sci.USA, 117, 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
6U8S	Human IMPDH2 treated with ATP, IMP, NAD+, and 2 mM GTP. Filament assembly interface reconstruction. Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE Authors: Johnson, M.C, Kollman, J.M. Deposit date: 2019-09-05 Release date: 2020-03-25 Last modified: 2024-03-20 Method: ELECTRON MICROSCOPY (3.14 Å) Cite: Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation. Elife, 9, 2020
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
6V20	Rabbit muscle aldolase determined using single-particle cryo-EM at 200 keV Descriptor: Fructose-bisphosphate aldolase A Authors: Wu, M, Lander, G.C, Herzik, M.A. Deposit date: 2019-11-21 Release date: 2020-02-12 Last modified: 2024-05-29 Method: ELECTRON MICROSCOPY (2.13 Å) Cite: Sub-2 Angstrom resolution structure determination using single-particle cryo-EM at 200 keV. J Struct Biol X, 4, 2020
6UPT	Tudor Domain of Tumor suppressor p53BP1 with MFP-2706 Descriptor: 2-((2-chlorobenzyl)thio)-4,5-dihydro-1H-imidazole, TP53-binding protein 1, UNKNOWN ATOM OR ION Authors: The, J, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) Deposit date: 2019-10-18 Release date: 2019-11-20 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.96 Å) Cite: Tudor Domain of Tumor suppressor p53BP1 with MFP-2706 to be published
6UPV	Alpha-E-catenin ABD-F-actin complex Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... Authors: Mei, L, Alushin, G.M. Deposit date: 2019-10-18 Release date: 2020-09-30 Last modified: 2020-10-07 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: Molecular mechanism for direct actin force-sensing by alpha-catenin. Elife, 9, 2020
6V0Q	Crystal structure of the bromodomain of human BRD7 bound to TG003 Descriptor: (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 7, ... Authors: Karim, M.R, Chan, A, Schonbrunn, E. Deposit date: 2019-11-19 Release date: 2020-03-11 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.69 Å) Cite: Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
6V1K	Crystal structure of the first bromodomain (BD1) of human BRD4 bound to BI7273 Descriptor: 1,2-ETHANEDIOL, 4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, Bromodomain-containing protein 4 Authors: Chan, A, Karim, M.R, Schonbrunn, E. Deposit date: 2019-11-20 Release date: 2020-03-11 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020

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