PDB: 8880 resultsInfo pagesStatus searchChemie searchBIRD

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6RKK	Fragment AZ-021 binding at the p53pT387/14-3-3 sigma interface Descriptor: 14-3-3 protein sigma, 4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide, CHLORIDE ION, ... Authors: Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. Deposit date: 2019-04-30 Release date: 2020-06-17 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.88 Å) Cite: Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
1LWM	Solution Structure of the Sequence-Non-Specific HMGB protein NHP6A Descriptor: NONHISTONE CHROMOSOMAL PROTEIN 6A Authors: Masse, J.E, Wong, B, Yen, Y.-M, Allain, F.H.-T, Johnson, R.C, Feigon, J. Deposit date: 2002-05-31 Release date: 2002-10-16 Last modified: 2024-05-22 Method: SOLUTION NMR Cite: The S. cerevisiae architectural HMGB protein NHP6A complexed with DNA: DNA and protein conformational changes upon binding J.Mol.Biol., 323, 2002
5WG9	Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 9b (SRI-30101) Descriptor: 2-{(2S)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ... Authors: Kumar, G, White, S.W. Deposit date: 2017-07-13 Release date: 2018-01-03 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease. Sci Rep, 7, 2017
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
6RWI	Fragment AZ-002 binding at the p53pT387/14-3-3 sigma interface Descriptor: 14-3-3 protein sigma, 5-phenylthiophene-2-carboximidamide, CALCIUM ION, ... Authors: Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. Deposit date: 2019-06-05 Release date: 2020-06-17 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Fragment-based Differential Targeting of PPI Stabilizer Interfaces. 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
6RWS	Fragment AZ-009 binding at the p53pT387/14-3-3 sigma interface Descriptor: 14-3-3 protein sigma, 4-chloranyl-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide, Cellular tumor antigen p53, ... Authors: Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. Deposit date: 2019-06-06 Release date: 2020-06-17 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.53 Å) Cite: Fragment-based Differential Targeting of PPI Stabilizer Interfaces. 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
6RLQ	CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX with JNJ45031882 Descriptor: (1~{S},2~{R},3~{S},5~{R})-3-[2-(2-azanyl-3-bromanyl-quinolin-7-yl)ethyl]-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)cyclop entane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5 Authors: Brown, D.G, Robinson, C.M, Pande, V. Deposit date: 2019-05-02 Release date: 2020-07-15 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (2.53 Å) Cite: CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX with JNJ45031882 To Be Published
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
6RJZ	Fragment AZ-015 binding at the p53pT387/14-3-3 sigma interface Descriptor: 14-3-3 protein sigma, 7-(6-azanylpyridin-2-yl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ... Authors: Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C. Deposit date: 2019-04-29 Release date: 2020-06-17 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
5C9Z	Crystal structure of PRMT5:MEP50 with EPZ015866 and sinefungin Descriptor: 2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]pyridine-4-carboxamide, GLYCEROL, Methylosome protein 50, ... Authors: Boriack-Sjodin, P.A. Deposit date: 2015-06-29 Release date: 2016-06-29 Method: X-RAY DIFFRACTION (2.36 Å) Cite: Crystal structure of PRMT5/MEP50 complex with sinefungin and 15866 To Be Published
3O62	Nucleosome core particle modified with a cisplatin 1,3-cis-{Pt(NH3)2}2+-d(GpTpG) intrastrand cross-link Descriptor: Cisplatin, DNA (146-MER), Histone H2A type 1, ... Authors: Lippard, S.J, Todd, R.C. Deposit date: 2010-07-28 Release date: 2011-01-05 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (3.216 Å) Cite: Consequences of Cisplatin binding on nucleosome structure and dynamics. Chem.Biol., 17, 2010
6RX2	Fragment AZ-005 binding at the p53pT387/14-3-3 sigma interface Descriptor: 14-3-3 protein sigma, 7-[[(2~{S})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide, CALCIUM ION, ... Authors: Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. Deposit date: 2019-06-07 Release date: 2020-06-17 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
6RKI	Fragment AZ-023 binding at the p53pT387/14-3-3 sigma interface Descriptor: 14-3-3 protein sigma, 5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... Authors: Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C. Deposit date: 2019-04-30 Release date: 2020-06-17 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.88 Å) Cite: Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
6S39	Fragment AZ-018 binding at the p53pT387/14-3-3 sigma interface Descriptor: 14-3-3 protein sigma, 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide, CALCIUM ION, ... Authors: Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C. Deposit date: 2019-06-24 Release date: 2020-06-17 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.88 Å) Cite: Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
6RKM	Fragment AZ-022 binding at the p53pT387/14-3-3 sigma interface Descriptor: 14-3-3 protein sigma, 4-phenyl-5-phenylazanyl-thiophene-2-carboximidamide, CHLORIDE ION, ... Authors: Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. Deposit date: 2019-04-30 Release date: 2020-06-17 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.88 Å) Cite: Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 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
6RL4	Fragment AZ-025 binding at the p53pT387/14-3-3 sigma interface Descriptor: 14-3-3 protein sigma, 5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... Authors: Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. Deposit date: 2019-05-01 Release date: 2020-06-17 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
3W55	The structure of ERK2 in complex with FR148083 Descriptor: (3S,5Z,8S,9S,11E)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Mitogen-activated protein kinase 1 Authors: Ohori, M, Kinoshita, T. Deposit date: 2013-01-21 Release date: 2013-02-06 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (3 Å) Cite: Role of a cysteine residue in the active site of ERK and the MAPKK family Biochem.Biophys.Res.Commun., 353, 2007
8TO0	48-nm repeating structure of doublets from mouse sperm flagella Descriptor: Cilia- and flagella- associated protein 210, Cilia- and flagella-associated protein 107, Cilia- and flagella-associated protein 141, ... Authors: Chen, Z, Shiozak, M, Hass, K.M, Skinner, W, Zhao, S, Guo, C, Polacco, B.J, Yu, Z, Krogan, N.J, Kaake, R.M, Vale, R.D, Agard, D.A. Deposit date: 2023-08-02 Release date: 2023-11-01 Last modified: 2023-11-22 Method: ELECTRON MICROSCOPY (7.7 Å) Cite: De novo protein identification in mammalian sperm using in situ cryoelectron tomography and AlphaFold2 docking. Cell, 186, 2023
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
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
6RLL	CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX with JNJ44064146 Descriptor: (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolane-3,4-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5 Authors: Brown, D.G, Robinson, C.M, Pande, V. Deposit date: 2019-05-02 Release date: 2020-06-03 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.22 Å) Cite: A chemical probe for the methyl transferase PRMT5 with a novel binding mode To Be Published
6RWH	Fragment AZ-007 binding at a primary and secondary binding site of the the p53pT387/14-3-3 sigma complex Descriptor: 14-3-3 protein sigma, 5-(1~{H}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide, CALCIUM ION, ... Authors: Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. Deposit date: 2019-06-05 Release date: 2020-06-17 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.68 Å) Cite: Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020

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