5HIC
| EGFR kinase domain mutant "TMLR" with a imidazopyridinyl-aminopyrimidine inhibitor | 分子名称: | Epidermal growth factor receptor, N-{2-[1-(cyclopropylsulfonyl)-1H-pyrazol-4-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine, SULFATE ION | 著者 | Eigenbrot, C, Yu, C. | 登録日 | 2016-01-11 | 公開日 | 2016-04-06 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2. Cancer Cell, 29, 2016
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4G11
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5NFK
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5NFM
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5HIB
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4Y2A
| Crystal Structure of Coxsackie Virus B3 3D polymerase in complex with GPC-N114 inhibitor | 分子名称: | 2,2'-[(4-chlorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile), 3D polymerase, GLYCEROL, ... | 著者 | Vives-Adrian, L, Ferrer-Orta, C, Verdaguer, N. | 登録日 | 2015-02-09 | 公開日 | 2015-04-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family. Plos Pathog., 11, 2015
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4ZAK
| Crystal structure of the mCD1d/DB06-1/iNKTCR ternary complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | 著者 | Zajonc, D.M, Birkholz, A.M. | 登録日 | 2015-04-13 | 公開日 | 2015-07-01 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (2.824 Å) | 主引用文献 | A Novel Glycolipid Antigen for NKT Cells That Preferentially Induces IFN-gamma Production. J Immunol., 195, 2015
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4GX8
| Crystal structure of a DNA polymerase III alpha-epsilon chimera | 分子名称: | CHLORIDE ION, DNA polymerase III subunit epsilon,DNA polymerase III subunit alpha | 著者 | Robinson, A, Horan, N, Xu, Z.-Q, Dixon, N.E, Oakley, A.J. | 登録日 | 2012-09-04 | 公開日 | 2013-04-03 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Proofreading exonuclease on a tether: the complex between the E. coli DNA polymerase III subunits alpha, {varepsilon}, theta and beta reveals a highly flexible arrangement of the proofreading domain Nucleic Acids Res., 41, 2013
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4GX9
| Crystal structure of a DNA polymerase III alpha-epsilon chimera | 分子名称: | DNA polymerase III subunit epsilon,DNA polymerase III subunit alpha | 著者 | Li, N, Horan, N, Xu, Z.-Q, Jacques, D, Dixon, N.E, Oakley, A.J. | 登録日 | 2012-09-04 | 公開日 | 2013-04-03 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Proofreading exonuclease on a tether: the complex between the E. coli DNA polymerase III subunits alpha, {varepsilon}, theta and beta reveals a highly flexible arrangement of the proofreading domain Nucleic Acids Res., 41, 2013
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8VRG
| E. coli peptidyl-prolyl cis-trans isomerase containing delta1-monofluoro-leucines | 分子名称: | Peptidyl-prolyl cis-trans isomerase B | 著者 | Frkic, R.L, Jackson, C.J. | 登録日 | 2024-01-22 | 公開日 | 2024-05-22 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | Conformational Preferences of the Non-Canonical Amino Acids (2 S ,4 S )-5-Fluoroleucine, (2 S ,4 R )-5-Fluoroleucine, and 5,5'-Difluoroleucine in a Protein. Biochemistry, 63, 2024
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6W0Z
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8VRH
| E. coli peptidyl-prolyl cis-trans isomerase containing delta2-monofluoro-leucines | 分子名称: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, DI(HYDROXYETHYL)ETHER, ... | 著者 | Frkic, R.L, Jackson, C.J. | 登録日 | 2024-01-22 | 公開日 | 2024-05-22 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Conformational Preferences of the Non-Canonical Amino Acids (2 S ,4 S )-5-Fluoroleucine, (2 S ,4 R )-5-Fluoroleucine, and 5,5'-Difluoroleucine in a Protein. Biochemistry, 63, 2024
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8VRI
| E. coli peptidyl-prolyl cis-trans isomerase containing difluoro-leucines | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NONAETHYLENE GLYCOL, ... | 著者 | Frkic, R.L, Jackson, C.J. | 登録日 | 2024-01-22 | 公開日 | 2024-05-22 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Conformational Preferences of the Non-Canonical Amino Acids (2 S ,4 S )-5-Fluoroleucine, (2 S ,4 R )-5-Fluoroleucine, and 5,5'-Difluoroleucine in a Protein. Biochemistry, 63, 2024
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6YL4
| Soluble epoxide hydrolase in complex with 3-((R)-3-(1-hydroxyureido)but-1-yn-1-yl)-N-((S)-3-phenyl-3-(4-trifluoromethoxy)phenyl)propyl)benzamide | 分子名称: | 3-[(3~{R})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{N}-[(3~{S})-3-phenyl-3-[4-(trifluoromethyloxy)phenyl]propyl]benzamide, Bifunctional epoxide hydrolase 2 | 著者 | Kramer, J.S, Pogoryelov, D, Hiesinger, K, Proschak, E. | 登録日 | 2020-04-06 | 公開日 | 2020-10-21 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | 主引用文献 | Design, Synthesis, and Structure-Activity Relationship Studies of Dual Inhibitors of Soluble Epoxide Hydrolase and 5-Lipoxygenase. J.Med.Chem., 63, 2020
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6W0X
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6W0W
| Structure of KHK in complex with compound 3 | 分子名称: | 6-[(3~{R},4~{S})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, Ketohexokinase, SULFATE ION | 著者 | Jasti, J. | 登録日 | 2020-03-03 | 公開日 | 2020-09-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose. J.Med.Chem., 63, 2020
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6W0N
| Structure of KHK in complex with compound 2 | 分子名称: | 6-[(3~{S},4~{R})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(3~{S})-3-methyl-3-oxidanyl-pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, Ketohexokinase, ... | 著者 | Jasti, J. | 登録日 | 2020-03-02 | 公開日 | 2020-09-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose. J.Med.Chem., 63, 2020
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6W0Y
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6OJP
| Structure of glycolipid alpha-GSA[8,6P] in complex with mouse CD1d | 分子名称: | (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(6-phenylhexyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | 著者 | Zajonc, D.M, Bitra, A. | 登録日 | 2019-04-11 | 公開日 | 2019-08-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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5XEP
| Crystal structure of BRP39, a chitinase-like protein, at 2.6 Angstorm resolution | 分子名称: | 1,2-ETHANEDIOL, Chitinase-3-like protein 1 | 著者 | Mohanty, A.K, Fisher, A.J, Choudhary, S, Kaushik, J.K. | 登録日 | 2017-04-05 | 公開日 | 2018-04-11 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal Structure of BRP39, a signalling glycoprotein expressed during mammary gland apoptosis. To be published
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7LVA
| Solution structure of the HIV-1 PBS-segment | 分子名称: | RNA (103-MER) | 著者 | Heng, X, Song, Z. | 登録日 | 2021-02-24 | 公開日 | 2021-03-17 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR, SOLUTION SCATTERING | 主引用文献 | The three-way junction structure of the HIV-1 PBS-segment binds host enzyme important for viral infectivity. Nucleic Acids Res., 49, 2021
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3GOL
| HCV NS5b polymerase in complex with 1,5 benzodiazepine inhibitor (R)-11d | 分子名称: | (11R)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, MAGNESIUM ION, RNA-directed RNA polymerase | 著者 | Nyanguile, O, De Bondt, H. | 登録日 | 2009-03-19 | 公開日 | 2009-06-16 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | 1,5-Benzodiazepine inhibitors of HCV NS5B polymerase. Bioorg.Med.Chem.Lett., 19, 2009
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6GR0
| Petrobactin-binding engineered lipocalin in complex with gallium-petrobactin | 分子名称: | 4-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-[2-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-4-oxidanylidene-butanoic acid, GALLIUM (III) ION, Neutrophil gelatinase-associated lipocalin | 著者 | Skerra, A, Eichinger, A. | 登録日 | 2018-06-08 | 公開日 | 2018-08-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Reprogramming Human Siderocalin To Neutralize Petrobactin, the Essential Iron Scavenger of Anthrax Bacillus. Angew. Chem. Int. Ed. Engl., 57, 2018
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5WBO
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5WBZ
| Structure of human Ketohexokinase complexed with hits from fragment screening | 分子名称: | 6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, Ketohexokinase, ... | 著者 | Pandit, J. | 登録日 | 2017-06-29 | 公開日 | 2017-09-13 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK). J. Med. Chem., 60, 2017
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