PDB: 8861 resultsInfo pagesStatus searchChemie searchBIRD

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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
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
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
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
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
6KX2	Crystal structure of GDP bound RhoA protein Descriptor: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA Authors: Zhang, H, Luo, C. Deposit date: 2019-09-09 Release date: 2020-08-19 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.454 Å) Cite: Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion. Adv Sci, 7, 2020
6KX3	Crystal structure of RhoA protein with covalent inhibitor DC-Rhoin Descriptor: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA, prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate Authors: Zhang, H, Luo, C. Deposit date: 2019-09-09 Release date: 2020-08-19 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.981 Å) Cite: Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion. Adv Sci, 7, 2020
5SYA	Atomic resolution structure of D24N mutant human DJ-1 Descriptor: 1,2-ETHANEDIOL, Protein deglycase DJ-1 Authors: Wilson, M.A, Lin, J. Deposit date: 2016-08-10 Release date: 2016-12-28 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Short Carboxylic Acid-Carboxylate Hydrogen Bonds Can Have Fully Localized Protons. Biochemistry, 56, 2017
6UOZ	Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction Descriptor: 5-bromo-3-chloro-N-[1-cyclopentyl-2-(methylsulfonyl)-1H-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide, WD repeat domain 5 Authors: Zhao, B. Deposit date: 2019-10-16 Release date: 2020-04-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.532 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
2YB8	Crystal structure of Nurf55 in complex with Su(z)12 Descriptor: POLYCOMB PROTEIN SU(Z)12, PROBABLE HISTONE-BINDING PROTEIN CAF1, SULFATE ION Authors: Schmitges, F.W, Prusty, A.B, Faty, M, Stutzer, A, Lingaraju, G.M, Aiwazian, J, Sack, R, Hess, D, Li, L, Zhou, S, Bunker, R.D, Wirth, U, Bouwmeester, T, Bauer, A, Ly-Hartig, N, Zhao, K, Chan, H, Gu, J, Gut, H, Fischle, W, Muller, J, Thoma, N.H. Deposit date: 2011-03-02 Release date: 2011-05-18 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Histone Methylation by Prc2 is Inhibited by Active Chromatin Marks. Mol.Cell, 42, 2011
6V63	SETD3 WT in Complex with an Actin Peptide with His73 Replaced with Glutamine Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Actin, ... Authors: Dai, S, Horton, J.R, Cheng, X. Deposit date: 2019-12-04 Release date: 2020-01-22 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.02 Å) Cite: An engineered variant of SETD3 methyltransferase alters target specificity from histidine to lysine methylation. J.Biol.Chem., 295, 2020
5SY9	Atomic resolution structure of E15Q mutant human DJ-1 Descriptor: 1,2-ETHANEDIOL, Protein deglycase DJ-1 Authors: Wilson, M.A, Lin, J. Deposit date: 2016-08-10 Release date: 2016-12-28 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Short Carboxylic Acid-Carboxylate Hydrogen Bonds Can Have Fully Localized Protons. Biochemistry, 56, 2017
2XYI	Crystal Structure of Nurf55 in complex with a H4 peptide Descriptor: DI(HYDROXYETHYL)ETHER, HISTONE H4, PROBABLE HISTONE-BINDING PROTEIN CAF1, ... Authors: Stirnimann, C.U, Nowak, A.J, Mueller, C.W. Deposit date: 2010-11-17 Release date: 2011-05-04 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Chromatin-Modifying Complex Component Nurf55/P55 Associates with Histones H3, H4 and Polycomb Repressive Complex 2 Subunit Su(Z)12 Through Partially Overlapping Binding Sites. J.Biol.Chem., 286, 2011
5NAS	Crystal structure of human 14-3-3 zeta in complex with PI4KIIIB peptide Descriptor: 14-3-3 protein zeta/delta, Phosphatidylinositol 4-kinase beta Authors: Boura, E, Eisenreichova, A. Deposit date: 2017-02-28 Release date: 2017-03-29 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.08 Å) Cite: Crystal structure of human 14-3-3 zeta in complex with PI4KIIIB peptide To Be Published
2XHI	Separation-of-function mutants unravel the dual reaction mode of human 8-oxoguanine DNA glycosylase Descriptor: 5'-D(*GP*CP*GP*TP*CP*CP*AP*(8OG)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', CALCIUM ION, ... Authors: Dalhus, B, Forsbring, M, Helle, I.H, Backe, P.H, Forstrom, R.J, Alseth, I, Bjoras, M. Deposit date: 2010-06-16 Release date: 2011-01-26 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Separation-of-Function Mutants Unravel the Dual- Reaction Mode of Human 8-Oxoguanine DNA Glycosylase. Structure, 19, 2011
6W13	Human 8-oxoguanine glycosylase interrogating fully intrahelical oxoG lesion DNA Descriptor: 2-(2-ethoxyethoxy)ethanethiol, ACETATE ION, DNA (5'-D(P*AP*CP*CP*TP*GP*G)-3'), ... Authors: Shigdel, U, Verdine, G. Deposit date: 2020-03-03 Release date: 2020-09-23 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.38 Å) Cite: The trajectory of intrahelical lesion recognition and extrusion by the human 8-oxoguanine DNA glycosylase. Nat Commun, 11, 2020
6W0M	Human 8-oxoguanine glycosylase crosslinked with oxoG lesion containing DNA Descriptor: 2-(2-ethoxyethoxy)ethanethiol, DNA (5'-D(P*CP*GP*TP*CP*CP*AP*(8OG)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(P*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3'), ... Authors: Shigdel, U, Verdine, G. Deposit date: 2020-03-02 Release date: 2020-09-23 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.37 Å) Cite: The trajectory of intrahelical lesion recognition and extrusion by the human 8-oxoguanine DNA glycosylase. Nat Commun, 11, 2020
6W0R	Human 8-oxoguanine glycosylase interrogating fully intrahelical undamaged DNA Descriptor: 2-(2-ethoxyethoxy)ethanethiol, DNA (5'-D(P*CP*AP*GP*GP*TP*C)-3'), DNA (5'-D(P*CP*CP*TP*GP*G)-3'), ... Authors: Shigdel, U, Verdine, G. Deposit date: 2020-03-02 Release date: 2020-09-23 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.35 Å) Cite: The trajectory of intrahelical lesion recognition and extrusion by the human 8-oxoguanine DNA glycosylase. Nat Commun, 11, 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
6UHZ	WDR5 in complex with Myc site fragment inhibitor Descriptor: 1-cyclohexyl-1H-benzotriazole-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 (1.258 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
3I5Z	Crystal structure of ERK2 bound to (S)-N-(2-hydroxy-1-phenylethyl)-4-(5-methyl-2-(phenylamino)pyrimidin-4-yl)-1H-pyrrole-2-carboxamide Descriptor: Mitogen-activated protein kinase 1, N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide, SULFATE ION Authors: Jacobs, M.D, Xie, X. Deposit date: 2009-07-06 Release date: 2010-01-12 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control. J.Med.Chem., 52, 2009
2XL2	WDR5 IN COMPLEX WITH AN RBBP5 PEPTIDE RECRUITED TO NOVEL SITE Descriptor: GLYCEROL, RETINOBLASTOMA-BINDING PROTEIN 5, WD REPEAT-CONTAINING PROTEIN 5 Authors: Odho, Z, Southall, S.M, Wilson, J.R. Deposit date: 2010-07-19 Release date: 2010-08-04 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Characterisation of a Novel Wdr5 Binding Site that Recruits Rbbp5 Through a Conserved Motif and Enhances Methylation of H3K4 by Mll1. J.Biol.Chem., 285, 2010
1LWV	Borohydride-trapped hOgg1 Intermediate Structure Co-Crystallized with 8-aminoguanine Descriptor: 5'-D(*GP*CP*GP*TP*CP*CP*AP*(PED)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', 8-AMINOGUANINE, ... Authors: Fromme, J.C, Bruner, S.D, Yang, W, Karplus, M, Verdine, G.L. Deposit date: 2002-06-03 Release date: 2003-02-25 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Product-Assisted Catalysis in Base Excision DNA Repair Nat.Struct.Biol., 10, 2003
1LWY	hOgg1 Borohydride-Trapped Intermediate without 8-oxoguanine Descriptor: 5'-D(*GP*CP*GP*TP*CP*CP*AP*(PED)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', 8-OXOGUANINE DNA GLYCOSYLASE Authors: Fromme, J.C, Bruner, S.D, Yang, W, Karplus, M, Verdine, G.L. Deposit date: 2002-06-03 Release date: 2003-02-25 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.01 Å) Cite: Product-Assisted Catalysis in Base Excision DNA Repair Nat.Struct.Biol., 10, 2003

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