PDB: 46006 resultsInfo pagesStatus searchChemie searchBIRD

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6UL5	Crystal structure of HIV-1 reverse transcriptase (RT) in complex with 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile (24b), a non-nucleoside RT inhibitor Descriptor: 1,2-ETHANEDIOL, 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile, MAGNESIUM ION, ... Authors: Ruiz, F.X, Pilch, A, Arnold, E. Deposit date: 2019-10-06 Release date: 2020-02-05 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Discovery and Characterization of Fluorine-Substituted Diarylpyrimidine Derivatives as Novel HIV-1 NNRTIs with Highly Improved Resistance Profiles and Low Activity for the hERG Ion Channel. J.Med.Chem., 63, 2020
6XWT	drosophila melanogaster CENP-A/H4 bound to N-terminal CAL1 fragment Descriptor: Chromosome alignment defect 1, Histone H3-like centromeric protein cid, Histone H4 Authors: Jeyaprakash, A.A, Medina-Pritchard, B, Lazou, V, Zou, J, Byron, O, Abad, M.A, Rappsilber, J, Heun, P. Deposit date: 2020-01-24 Release date: 2020-04-01 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (3.47 Å) Cite: Structural basis for centromere maintenance by Drosophila CENP-A chaperone CAL1. Embo J., 39, 2020
2J58	The structure of Wza Descriptor: HEXANE, N-OCTANE, OUTER MEMBRANE LIPOPROTEIN WZA, ... Authors: Dong, C, Naismith, J.H. Deposit date: 2006-09-12 Release date: 2006-11-06 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Wza the Translocon for E. Coli Capsular Polysaccharides Defines a New Class of Membrane Protein. Nature, 444, 2006
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
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
1KTU	NuiA Descriptor: NuiA Authors: Kirby, T.W, Mueller, G.A, DeRose, E.F, Lebetkin, M.S, Meiss, G, Pingoud, A, London, R.E. Deposit date: 2002-01-17 Release date: 2002-12-04 Last modified: 2024-05-01 Method: SOLUTION NMR Cite: The Nuclease A Inhibitor represents a new variation of the rare PR-1 fold. J.Mol.Biol., 320, 2002
2J33	The Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)caspase-3 Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CASPASE-3 Authors: Feeney, B, Pop, C, Swartz, P, Mattos, C, Clark, A.C. Deposit date: 2006-08-17 Release date: 2006-11-08 Last modified: 2019-05-08 Method: X-RAY DIFFRACTION (2 Å) Cite: Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)Caspase-3. Biochemistry, 45, 2006
4XSL	Crystal strcutre of D-tagatose 3-epimerase C66S from Pseudomonas cichorii in complex with glycerol Descriptor: D-tagatose 3-epimerase, GLYCEROL, MANGANESE (II) ION Authors: Yoshida, H, Yoshihara, A, Ishii, T, Izumori, K, Kamitori, S. Deposit date: 2015-01-22 Release date: 2016-01-27 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.6 Å) Cite: X-ray structures of the Pseudomonas cichorii D-tagatose 3-epimerase mutant form C66S recognizing deoxy sugars as substrates Appl. Microbiol. Biotechnol., 100, 2016
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
1OMI	Crystal structure of PrfA,the transcriptional regulator in Listeria monocytogenes Descriptor: GLYCEROL, Listeriolysin regulatory protein Authors: Thirumuruhan, R, Rajashankar, K, Fedorov, A.A, Dodatko, T, Chance, M.R, Cossart, P, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) Deposit date: 2003-02-25 Release date: 2003-03-11 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Crystal structure of PrfA, the transcriptional regulator in Listeria monocytogenes 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
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
7MDO	Structure of human p97 ATPase L464P mutant Descriptor: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase Authors: Zhang, X, Gui, L, Li, S, Nandi, P, Columbres, R.C, Wong, D.E, Moen, D.R, Lin, H.J, Chiu, P.-L, Chou, T.-F. Deposit date: 2021-04-05 Release date: 2021-08-25 Last modified: 2024-05-29 Method: ELECTRON MICROSCOPY (4.12 Å) Cite: Conserved L464 in p97 D1-D2 linker is critical for p97 cofactor regulated ATPase activity. Biochem.J., 478, 2021
4A2I	Cryo-electron Microscopy Structure of the 30S Subunit in Complex with the YjeQ Biogenesis Factor Descriptor: 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... Authors: Jomaa, A, Stewart, G, Mears, J.A, Kireeva, I, Brown, E.D, Ortega, J. Deposit date: 2011-09-27 Release date: 2011-11-02 Last modified: 2024-05-08 Method: ELECTRON MICROSCOPY (16.5 Å) Cite: Cryo-Electron Microscopy Structure of the 30S Subunit in Complex with the Yjeq Biogenesis Factor. RNA, 17, 2011
7MDM	Structure of human p97 ATPase L464P mutant Descriptor: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase Authors: Zhang, X, Gui, L, Li, S, Nandi, P, Columbres, R.C, Wong, D.E, Moen, D.R, Lin, H.J, Chiu, P.-L, Chou, T.-F. Deposit date: 2021-04-05 Release date: 2021-08-25 Last modified: 2024-05-29 Method: ELECTRON MICROSCOPY (4.86 Å) Cite: Conserved L464 in p97 D1-D2 linker is critical for p97 cofactor regulated ATPase activity. Biochem.J., 478, 2021
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
1RG6	Solution structure of the C-terminal domain of p63 Descriptor: second splice variant p63 Authors: Cadot, B, Candi, E, Cicero, D.O, Desideri, A, Mele, S, Melino, G, Paci, M. Deposit date: 2003-11-11 Release date: 2004-11-23 Last modified: 2024-05-22 Method: SOLUTION NMR Cite: Solution structure of the C-terminal domain of p63 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

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