PDB: 185 resultsInfo pagesStatus searchChemie searchBIRD

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7U9Y	WDR5 bound to 2-(3,5-dimethoxybenzyl)-7-((2-methyl-1H-imidazol-1-yl)methyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-3,4-dihydroisoquinolin-1(2H)-one Descriptor: (5P)-2-[(3,5-dimethoxyphenyl)methyl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3,4-dihydroisoquinolin-1(2H)-one, BENZAMIDINE, WD repeat-containing protein 5 Authors: Rietz, T. Deposit date: 2022-03-11 Release date: 2022-04-27 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization. J.Med.Chem., 65, 2022
7UAS	Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization Descriptor: (5P)-2-[(S)-cyclopropyl(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, WD repeat-containing protein 5 Authors: Zhao, B. Deposit date: 2022-03-14 Release date: 2022-05-04 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.808 Å) Cite: Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization. J.Med.Chem., 65, 2022
8X3R	Crystal structure of human WDR5 in complex with WDR5 Descriptor: WD repeat-containing protein 5 Authors: Liu, Y, Huang, X. Deposit date: 2023-11-14 Release date: 2024-05-29 Method: X-RAY DIFFRACTION (1.76 Å) Cite: The NTE domain of PTEN alpha / beta promotes cancer progression by interacting with WDR5 via its SSSRRSS motif. Cell Death Dis, 15, 2024
8X3S	Crystal structure of human WDR5 in complex with PTEN Descriptor: Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, WD repeat-containing protein 5 Authors: Liu, Y, Huang, X, Shang, X. Deposit date: 2023-11-14 Release date: 2024-05-29 Method: X-RAY DIFFRACTION (1.87 Å) Cite: The NTE domain of PTEN alpha / beta promotes cancer progression by interacting with WDR5 via its SSSRRSS motif. Cell Death Dis, 15, 2024
8WXT	Structure of WDR5 in complex with WIN motif containing MBD3C R45E/V46G Descriptor: MBD3C, WD repeat-containing protein 5 Authors: Xu, L, Yang, Y. Deposit date: 2023-10-30 Release date: 2024-06-26 Last modified: 2024-07-17 Method: X-RAY DIFFRACTION (1.83 Å) Cite: Structural studies of WDR5 in complex with MBD3C WIN motif reveal a unique binding mode. J.Biol.Chem., 300, 2024
3N0E	Crystal structure of WDR5 mutant (W330Y) Descriptor: WD repeat-containing protein 5 Authors: Wu, Y.-D, Wu, X.-H, Gao, Y, Chen, R.-C. Deposit date: 2010-05-13 Release date: 2010-10-20 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.5 Å) Cite: The Effect of Asp-His-Ser/Thr-Trp Tetrad on the Thermostability of WD40-Repeat Proteins Biochemistry, 49, 2010
7UD5	Complex between MLL1-WRAD and an H2B-ubiquitinated nucleosome Descriptor: 601 DNA (146-MER), Histone H2A, Histone H2B 1.1, ... Authors: Niklas, H.A, Rahman, S, Worden, E.J, Wolberger, C. Deposit date: 2022-03-18 Release date: 2022-09-21 Last modified: 2024-12-25 Method: ELECTRON MICROSCOPY (4.25 Å) Cite: Multistate structures of the MLL1-WRAD complex bound to H2B-ubiquitinated nucleosome. Proc.Natl.Acad.Sci.USA, 119, 2022
3N0D	Crystal structure of WDR5 mutant (W330F) Descriptor: WD repeat-containing protein 5 Authors: Wu, Y.-D, Wu, X.-H, Gao, Y, Chen, R.-C. Deposit date: 2010-05-13 Release date: 2010-10-20 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.3 Å) Cite: The Effect of Asp-His-Ser/Thr-Trp Tetrad on the Thermostability of WD40-Repeat Proteins Biochemistry, 49, 2010
6PWV	Cryo-EM structure of MLL1 core complex bound to the nucleosome Descriptor: DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ... Authors: Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U. Deposit date: 2019-07-23 Release date: 2019-12-18 Last modified: 2023-08-16 Method: ELECTRON MICROSCOPY (6.2 Å) Cite: Cryo-EM structure of the human MLL1 core complex bound to the nucleosome. Nat Commun, 10, 2019
8DU4	Complex between RbBP5-WDR5 and an H2B-ubiquitinated nucleosome Descriptor: 601 DNA (146-MER), Histone H2A, Histone H2B 1.1, ... Authors: Niklas, H.A, Rahman, S, Worden, E.J, Wolberger, C. Deposit date: 2022-07-26 Release date: 2022-09-21 Last modified: 2024-10-23 Method: ELECTRON MICROSCOPY (3.55 Å) Cite: Multistate structures of the MLL1-WRAD complex bound to H2B-ubiquitinated nucleosome. Proc.Natl.Acad.Sci.USA, 119, 2022
8BB2	Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #2) 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 (2.05 Å) Cite: Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #2) To Be Published
8BB3	Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #1) 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 (1.8 Å) Cite: Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #1) To Be Published
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
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
5EAL	Crystal structure of human WDR5 in complex with compound 9h Descriptor: 1,2-ETHANEDIOL, 3-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-quinolin-3-yl-phenyl]benzamide, CHLORIDE ION, ... Authors: DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) Deposit date: 2015-10-16 Release date: 2015-11-04 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal structure of human WDR5 in complex with compound 9h to be published
8E9F	WD repeat-containing protein 5 complexed with 4-(7-((1H-imidazol-1-yl)methyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl)-6-ethyl-N-methylquinoline-8-carboxamide (compound 10) Descriptor: 6-ethyl-4-[(5P)-7-[(1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]-N-methylquinoline-8-carboxamide, BENZAMIDINE, WD repeat-containing protein 5 Authors: Rietz, T.A, Fesik, S.W. Deposit date: 2022-08-26 Release date: 2023-01-11 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Structure-based discovery of potent WD repeat domain 5 inhibitors that demonstrate efficacy and safety in preclinical animal models. Proc.Natl.Acad.Sci.USA, 120, 2023
8F1G	Crystal structure of human WDR5 in complex with compound WM662 Descriptor: (2S)-2-({(2S)-3-(3'-chloro[1,1'-biphenyl]-4-yl)-1-oxo-1-[(1H-tetrazol-5-yl)amino]propan-2-yl}oxy)propanoic acid, GLYCEROL, SULFATE ION, ... Authors: Liu, H. Deposit date: 2022-11-05 Release date: 2023-01-11 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.14 Å) Cite: Discovery of Potent Small-Molecule Inhibitors of WDR5-MYC Interaction. Acs Chem.Biol., 18, 2023
5SXM	WDR5 in complex with MLL Win motif peptidomimetic Descriptor: ACE-ALA-ARG-THR-GLU-VAL-TYR-NH2, WD repeat-containing protein 5 Authors: Alicea-Velazquez, N.L, Shinsky, S.A, Cosgrove, M.S. Deposit date: 2016-08-09 Release date: 2016-09-07 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Targeted Disruption of the Interaction between WD-40 Repeat Protein 5 (WDR5) and Mixed Lineage Leukemia (MLL)/SET1 Family Proteins Specifically Inhibits MLL1 and SETd1A Methyltransferase Complexes. J.Biol.Chem., 291, 2016
5EAM	Crystal structure of human WDR5 in complex with compound 9o Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, ... Authors: DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) Deposit date: 2015-10-16 Release date: 2015-11-04 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1). J. Med. Chem., 59, 2016
5EAR	Crystal structure of human WDR5 in complex with compound 9d Descriptor: 1,2-ETHANEDIOL, N-[5-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide, SULFATE ION, ... Authors: DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) Deposit date: 2015-10-16 Release date: 2015-11-04 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1). J. Med. Chem., 59, 2016
5EAP	Crystal structure of human WDR5 in complex with compound 9e Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... Authors: DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) Deposit date: 2015-10-16 Release date: 2015-11-04 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.73 Å) Cite: Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1). J. Med. Chem., 59, 2016
6R1U	Structure of LSD2/NPAC-linker/nucleosome core particle complex: Class 2 Descriptor: DNA (147-MER), FLAVIN-ADENINE DINUCLEOTIDE, Histone H2A, ... Authors: Marabelli, C, Pilotto, S, Chittori, S, Subramaniam, S, Mattevi, A. Deposit date: 2019-03-15 Release date: 2019-04-24 Last modified: 2024-05-15 Method: ELECTRON MICROSCOPY (4.36 Å) Cite: A Tail-Based Mechanism Drives Nucleosome Demethylation by the LSD2/NPAC Multimeric Complex. Cell Rep, 27, 2019
6R25	Structure of LSD2/NPAC-linker/nucleosome core particle complex: Class 3 Descriptor: DNA (147-MER), FLAVIN-ADENINE DINUCLEOTIDE, H2B, ... Authors: Marabelli, C, Pilotto, S, Chittori, S, Subramaniam, S, Mattevi, A. Deposit date: 2019-03-15 Release date: 2019-04-24 Last modified: 2025-04-09 Method: ELECTRON MICROSCOPY (4.61 Å) Cite: A Tail-Based Mechanism Drives Nucleosome Demethylation by the LSD2/NPAC Multimeric Complex. Cell Rep, 27, 2019
8F93	WDR5 covalently modified at Y228 by (R)-2-SF Descriptor: 3-ethynyl-5-{[(3R)-4-{1-[(2-methoxyphenyl)methyl]-1H-benzimidazole-5-carbonyl}-3-methylpiperazin-1-yl]methyl}benzene-1-sulfonyl fluoride, CHLORIDE ION, GLYCEROL, ... Authors: Taunton, J, Craven, G.B, Chen, Y. Deposit date: 2022-11-23 Release date: 2023-05-31 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Direct mapping of ligandable tyrosines and lysines in cells with chiral sulfonyl fluoride probes. Nat.Chem., 15, 2023
4GU1	Crystal structure of LSD2 Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1B, ... Authors: Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Fang, R, Shi, Y, Xu, Y. Deposit date: 2012-08-29 Release date: 2013-01-16 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.939 Å) Cite: LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation Mol.Cell, 49, 2013

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