6P83
 
 | | E.coli LpxD in complex with compound 1o | | 分子名称: | 4-(2-chlorophenyl)-3-hydroxy-7,7-dimethyl-2-phenyl-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, MAGNESIUM ION, UDP-3-O-(3-hydroxymyristoyl)glucosamine N-acyltransferase | | 著者 | Ma, X, Shia, S. | | 登録日 | 2019-06-06 | | 公開日 | 2019-08-28 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural and Biological Basis of Small Molecule Inhibition ofEscherichia coliLpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
Acs Infect Dis., 6, 2020
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6P9T
 | | E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 8 | | 分子名称: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | | 著者 | Ma, X, Shia, S, Ornelas, E. | | 登録日 | 2019-06-10 | | 公開日 | 2020-03-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
J.Am.Chem.Soc., 142, 2020
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6DHL
 | | Bovine glutamate dehydrogenase complexed with epicatechin-3-gallate (ECG) | | 分子名称: | (2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, Glutamate dehydrogenase 1, mitochondrial | | 著者 | Smith, T.J. | | 登録日 | 2018-05-20 | | 公開日 | 2018-07-25 | | 実験手法 | X-RAY DIFFRACTION (3.624 Å) | | 主引用文献 | Green tea polyphenols control dysregulated glutamate dehydrogenase in transgenic mice by hijacking the ADP activation site.
J. Biol. Chem., 286, 2011
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2JPH
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8YGH
 | | pP1192R-apo open state | | 分子名称: | DNA topoisomerase 2 | | 著者 | Sun, J.Q, Liu, R.L. | | 登録日 | 2024-02-26 | | 公開日 | 2024-09-18 | | 実験手法 | ELECTRON MICROSCOPY (2.77 Å) | | 主引用文献 | Structural basis for difunctional mechanism of m-AMSA against African swine fever virus pP1192R.
Nucleic Acids Res., 2024
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8YGE
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8YGG
 | | pP1192R-apo Closed state | | 分子名称: | DNA topoisomerase 2 | | 著者 | Sun, J.Q, Liu, R.L. | | 登録日 | 2024-02-26 | | 公開日 | 2024-09-18 | | 実験手法 | ELECTRON MICROSCOPY (2.98 Å) | | 主引用文献 | Structural basis for difunctional mechanism of m-AMSA against African swine fever virus pP1192R.
Nucleic Acids Res., 2024
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8YIK
 | | pP1192R-ATPase-domain | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, DNA topoisomerase 2 | | 著者 | Sun, J.Q, Liu, R.L. | | 登録日 | 2024-02-29 | | 公開日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Structural basis for difunctional mechanism of m-AMSA against African swine fever virus pP1192R.
Nucleic Acids Res., 2024
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8IMF
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8IME
 | | Human cGAS catalytic domain bound with baicalin | | 分子名称: | 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, Cyclic GMP-AMP synthase, ZINC ION | | 著者 | Zhao, W.F, Xu, Y.C. | | 登録日 | 2023-03-06 | | 公開日 | 2024-01-03 | | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | | 主引用文献 | Discovery of novel cGAS inhibitors based on natural flavonoids.
Bioorg.Chem., 140, 2023
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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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1F3C
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8X1N
 | | Cryo-EM structure of human alpha-fetoprotein | | 分子名称: | Alpha-fetoprotein, PALMITIC ACID, ZINC ION, ... | | 著者 | Liu, Z.M, Li, M.S, Wu, C, Liu, K. | | 登録日 | 2023-11-08 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (3.31 Å) | | 主引用文献 | Structural characteristics of alpha-fetoprotein, including N-glycosylation, metal ion and fatty acid binding sites.
Commun Biol, 7, 2024
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5U1C
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8K4H
 | | Crystal structure of PDE4D complexed with benzbromarone | | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, ZINC ION, ... | | 著者 | Liu, J.Y, Li, M.J, Xu, Y.C. | | 登録日 | 2023-07-18 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
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8K4C
 | | Crystal structure of PDE4D complexed with ethaverine hydrochloride | | 分子名称: | 1,2-ETHANEDIOL, 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-isoquinoline, MAGNESIUM ION, ... | | 著者 | Liu, J.Y, Li, M.J, Xu, Y.C. | | 登録日 | 2023-07-17 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
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7D8T
 | | MITF bHLHLZ complex with M-box DNA | | 分子名称: | DNA (5'-D(*TP*GP*TP*AP*AP*CP*AP*TP*GP*TP*GP*TP*CP*CP*CP*C)-3'), DNA (5'-D(P*GP*GP*GP*AP*CP*AP*CP*AP*TP*GP*TP*TP*AP*CP*AP*G)-3'), Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit | | 著者 | Guo, M, Fang, P, Wang, J. | | 登録日 | 2020-10-09 | | 公開日 | 2021-10-13 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (3.201 Å) | | 主引用文献 | A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
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7D8R
 | | MITF HLHLZ structure | | 分子名称: | Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit | | 著者 | Guo, M, Fang, P, Wang, J. | | 登録日 | 2020-10-09 | | 公開日 | 2021-10-13 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
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7D8S
 | | MITF bHLHLZ apo structure | | 分子名称: | Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit, SULFATE ION | | 著者 | Guo, M, Fang, P, Wang, J. | | 登録日 | 2020-10-09 | | 公開日 | 2021-10-13 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
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7XC3
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7XC4
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain 3 (SARS-unique domain-M) in complex with Oxaprozin | | 分子名称: | 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid, Papain-like protease nsp3 | | 著者 | Li, J, Liu, Y, Gao, J, Ruan, K. | | 登録日 | 2022-03-22 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Two Binding Sites of SARS-CoV-2 Macrodomain 3 Probed by Oxaprozin and Meclomen.
J.Med.Chem., 65, 2022
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3IR2
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8IFP
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 1 | | 分子名称: | (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | 著者 | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | 登録日 | 2023-02-19 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
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8IFT
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 10 | | 分子名称: | (8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2S)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5 | | 著者 | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | 登録日 | 2023-02-19 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
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8IFQ
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 2 | | 分子名称: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | 著者 | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | 登録日 | 2023-02-19 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
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