PDB: 46006 件ウェブページステータス検索Chemie 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 分子名称: 1,2-ETHANEDIOL, 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile, MAGNESIUM ION, ... 著者 Ruiz, F.X, Pilch, A, Arnold, E. 登録日 2019-10-06 公開日 2020-02-05 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 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 分子名称: Chromosome alignment defect 1, Histone H3-like centromeric protein cid, Histone H4 著者 Jeyaprakash, A.A, Medina-Pritchard, B, Lazou, V, Zou, J, Byron, O, Abad, M.A, Rappsilber, J, Heun, P. 登録日 2020-01-24 公開日 2020-04-01 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (3.47 Å) 主引用文献 Structural basis for centromere maintenance by Drosophila CENP-A chaperone CAL1. Embo J., 39, 2020
2J58	The structure of Wza 分子名称: HEXANE, N-OCTANE, OUTER MEMBRANE LIPOPROTEIN WZA, ... 著者 Dong, C, Naismith, J.H. 登録日 2006-09-12 公開日 2006-11-06 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 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 分子名称: 5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide, WD repeat domanin 5 著者 Zhao, B. 登録日 2019-10-01 公開日 2020-04-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 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 分子名称: 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 著者 Zhao, B. 登録日 2019-09-17 公開日 2020-01-01 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 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 分子名称: 4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-N-methyl-1H-imidazole-2-carboxamide, WD repeat domain 5 著者 Zhao, B. 登録日 2019-09-30 公開日 2020-04-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.603 Å) 主引用文献 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 分子名称: NuiA 著者 Kirby, T.W, Mueller, G.A, DeRose, E.F, Lebetkin, M.S, Meiss, G, Pingoud, A, London, R.E. 登録日 2002-01-17 公開日 2002-12-04 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 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 分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CASPASE-3 著者 Feeney, B, Pop, C, Swartz, P, Mattos, C, Clark, A.C. 登録日 2006-08-17 公開日 2006-11-08 最終更新日 2019-05-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 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 分子名称: D-tagatose 3-epimerase, GLYCEROL, MANGANESE (II) ION 著者 Yoshida, H, Yoshihara, A, Ishii, T, Izumori, K, Kamitori, S. 登録日 2015-01-22 公開日 2016-01-27 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 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 分子名称: 3-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-5-(1-cyanocyclobutyl)-2-hydroxy-N-methylbenzamide, WD repeat-containing protein 5 著者 Zhao, B, Wang, F. 登録日 2019-08-28 公開日 2019-12-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.532 Å) 主引用文献 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 分子名称: GLYCEROL, Listeriolysin regulatory protein 著者 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) 登録日 2003-02-25 公開日 2003-03-11 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 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 分子名称: 5-bromo-2-hydroxy-N-[3-(methylsulfonyl)-5-(pentafluoro-lambda~6~-sulfanyl)phenyl]benzene-1-sulfonamide, WD repeat-containing protein 5 著者 Zhao, B, Wang, F. 登録日 2019-08-28 公開日 2019-12-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 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 分子名称: (2R)-2-(4-chlorophenyl)-3-oxobutanenitrile, DIMETHYL SULFOXIDE, SULFATE ION, ... 著者 Phan, J, Fesik, S.W. 登録日 2019-10-03 公開日 2020-04-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.493 Å) 主引用文献 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 分子名称: 3-{[(5-bromo-2-methoxyphenyl)sulfonyl]amino}-5-chloro-2-hydroxybenzoic acid, WD repeat-containing protein 5 著者 Zhao, B, Wang, F. 登録日 2019-09-04 公開日 2019-12-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.261 Å) 主引用文献 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 分子名称: 5-bromo-N-(5-chloro-2-hydroxyphenyl)-2-methoxybenzene-1-sulfonamide, WD repeat-containing protein 5 著者 Zhao, B, Wang, F. 登録日 2019-08-30 公開日 2019-12-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 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 分子名称: 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 著者 Zhao, B, Wang, F. 登録日 2019-09-05 公開日 2019-12-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 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 分子名称: 5-bromo-N-[5-(1-cyanocyclobutyl)-2-hydroxyphenyl]-2-hydroxybenzene-1-sulfonamide, WD repeat-containing protein 5 著者 Zhao, B, Wang, F. 登録日 2019-09-05 公開日 2019-12-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 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 分子名称: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase 著者 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. 登録日 2021-04-05 公開日 2021-08-25 最終更新日 2024-05-29 実験手法 ELECTRON MICROSCOPY (4.12 Å) 主引用文献 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 分子名称: 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... 著者 Jomaa, A, Stewart, G, Mears, J.A, Kireeva, I, Brown, E.D, Ortega, J. 登録日 2011-09-27 公開日 2011-11-02 最終更新日 2024-05-08 実験手法 ELECTRON MICROSCOPY (16.5 Å) 主引用文献 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 分子名称: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase 著者 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. 登録日 2021-04-05 公開日 2021-08-25 最終更新日 2024-05-29 実験手法 ELECTRON MICROSCOPY (4.86 Å) 主引用文献 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 分子名称: 5-bromo-3-chloro-N-(1-cyclopentyl-2-methyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide, WD repeat domain 5 著者 Zhao, B. 登録日 2019-10-02 公開日 2020-04-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 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 分子名称: 6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol, WD repeat-containing protein 5 著者 Phan, J. 登録日 2019-10-03 公開日 2020-04-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.599 Å) 主引用文献 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 分子名称: 5-[4-(trifluoromethyl)phenyl]-1H-tetrazole, WD repeat-containing protein 5 著者 Phan, J. 登録日 2019-10-03 公開日 2020-04-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.731 Å) 主引用文献 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 分子名称: second splice variant p63 著者 Cadot, B, Candi, E, Cicero, D.O, Desideri, A, Mele, S, Melino, G, Paci, M. 登録日 2003-11-11 公開日 2004-11-23 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 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) 分子名称: 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 著者 Rietz, T.A, Fesik, S.W. 登録日 2022-08-26 公開日 2023-01-11 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 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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