7WH9
 
 | | holo structure of emodin 1-OH O-methyltransferase complex with emodin and S-Adenosyl-L-homocysteine | | 分子名称: | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, O-methyltransferase gedA, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Liang, Y.J, Lu, X.F, Qi, F.F, Xue, Y.Y. | | 登録日 | 2021-12-30 | | 公開日 | 2023-01-11 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.803 Å) | | 主引用文献 | Characterization and Structural Analysis of Emodin- O -Methyltransferase from Aspergillus terreus.
J.Agric.Food Chem., 70, 2022
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7E7B
 | | Cryo-EM structure of the SARS-CoV-2 furin site mutant S-Trimer from a subunit vaccine candidate | | 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, 2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside, ... | | 著者 | Zheng, S, Ma, J. | | 登録日 | 2021-02-25 | | 公開日 | 2021-03-24 | | 最終更新日 | 2022-12-07 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Cryo-EM structure of S-Trimer, a subunit vaccine candidate for COVID-19.
J.Virol., 95, 2021
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7E7D
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7KEF
 | | RNA polymerase II elongation complex with unnatural base dTPT3, rNaM in swing state | | 分子名称: | (1S)-1,4-anhydro-1-(3-methoxynaphthalen-2-yl)-5-O-phosphono-D-ribitol, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | | 著者 | Oh, J, Wang, D. | | 登録日 | 2020-10-10 | | 公開日 | 2021-06-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.89 Å) | | 主引用文献 | Transcriptional processing of an unnatural base pair by eukaryotic RNA polymerase II.
Nat.Chem.Biol., 17, 2021
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7KED
 | | RNA polymerase II elongation complex with unnatural base dTPT3 | | 分子名称: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | | 著者 | Oh, J, Wang, W, Wang, D. | | 登録日 | 2020-10-10 | | 公開日 | 2021-06-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | Transcriptional processing of an unnatural base pair by eukaryotic RNA polymerase II.
Nat.Chem.Biol., 17, 2021
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7KEE
 | | RNA polymerase II elongation complex with unnatural base dTPT3, rNaMTP bound to E-site | | 分子名称: | (1S)-1,4-anhydro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-1-(3-methoxynaphthalen-2-yl)-D-ribitol, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | | 著者 | Oh, J, Wang, D. | | 登録日 | 2020-10-10 | | 公開日 | 2021-06-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.45 Å) | | 主引用文献 | Transcriptional processing of an unnatural base pair by eukaryotic RNA polymerase II.
Nat.Chem.Biol., 17, 2021
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7YD2
 | | SulE_P44R_S209A | | 分子名称: | 2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid, 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER, Alpha/beta fold hydrolase, ... | | 著者 | Liu, B, Ran, T, Wang, W, He, J. | | 登録日 | 2022-07-03 | | 公開日 | 2023-07-19 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
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7Y0L
 | | SulE-S209A | | 分子名称: | Alpha/beta fold hydrolase, GLYCEROL, METHYL 2-[({[(4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE | | 著者 | Liu, B, Ran, T, He, J, Wang, W. | | 登録日 | 2022-06-05 | | 公開日 | 2023-08-02 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
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7WWH
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7EVJ
 | | Crystal structure of CBP bromodomain liganded with 9c | | 分子名称: | 3-acetyl-1-((3-(1-cyclopropyl-1H-pyrazol-4-yl)-2-fluoro-5-(hydroxymethyl)phenyl)carbamoyl)indolizin-7-yl dimethylcarbamate, CREB-binding protein, GLYCEROL, ... | | 著者 | Xiang, Q, Wang, C, Wu, T, Zhang, Y, Zhang, C, Luo, G, Wu, X, Shen, H, Xu, Y. | | 登録日 | 2021-05-21 | | 公開日 | 2022-02-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of 1-(Indolizin-3-yl)ethan-1-ones as CBP Bromodomain Inhibitors for the Treatment of Prostate Cancer.
J.Med.Chem., 65, 2022
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8H08
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8H07
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8HLT
 | | The co-crystal structure of DYRK2 with YK-2-99B | | 分子名称: | (6-{[(4P)-4-(1,3-benzothiazol-5-yl)-5-fluoropyrimidin-2-yl]amino}pyridin-3-yl)(piperazin-1-yl)methanone, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | | 著者 | Shen, H.T, Xiao, Y.B, Yuan, K, Yang, P, Li, Q.N. | | 登録日 | 2022-12-01 | | 公開日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery of Potent DYRK2 Inhibitors with High Selectivity, Great Solubility, and Excellent Safety Properties for the Treatment of Prostate Cancer.
J.Med.Chem., 66, 2023
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7X2H
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7XD2
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8J1V
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8J1T
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8FJ8
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8GQR
 | | Crystal structure of VioD with FAD | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, SULFATE ION, ... | | 著者 | Ran, T, Wang, W, Xu, M. | | 登録日 | 2022-08-30 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural basis for substrate binding and catalytic mechanism of the key enzyme VioD in the violacein synthesis pathway.
Proteins, 91, 2023
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8H0M
 | | Crystal structure of VioD | | 分子名称: | (2S)-2-ethylhexan-1-ol, FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, ... | | 著者 | Xu, M, Ran, T, Wang, W. | | 登録日 | 2022-09-29 | | 公開日 | 2023-04-12 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.702 Å) | | 主引用文献 | Structural basis for substrate binding and catalytic mechanism of the key enzyme VioD in the violacein synthesis pathway.
Proteins, 91, 2023
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7WMO
 | | A novel chemical derivative(92) of THRB agonist | | 分子名称: | 2-[[1-ethoxy-7-[4-(3-fluoranyl-5-methoxy-phenyl)carbonyl-2,6-dimethyl-phenoxy]-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | | 著者 | Yao, B.Q, Li, Y. | | 登録日 | 2022-01-15 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
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7WML
 | | A novel chemical derivative(85) of THRB agonist | | 分子名称: | 2-[[7-[4-(3,5-dimethylphenyl)carbonyl-2,6-dimethyl-phenoxy]-1-ethoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | | 著者 | Yao, B.Q, Li, Y. | | 登録日 | 2022-01-15 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
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7WMJ
 | | A novel chemical derivative(71) of THRB agonist | | 分子名称: | 2-[[7-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | | 著者 | Yao, B.Q, Li, Y. | | 登録日 | 2022-01-14 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
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7WLX
 | | A novel chemical derivative(53) of THRB agonist | | 分子名称: | 2-[[1-methoxy-4-oxidanyl-7-[4-(phenylmethyl)phenoxy]isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | | 著者 | Yao, B.Q, Li, Y. | | 登録日 | 2022-01-14 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
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7WMH
 | | A novel chemical derivative(56) of THRB agonist | | 分子名称: | 2-[[1-methoxy-4-oxidanyl-7-(4-phenylphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | | 著者 | Yao, B.Q, Li, Y. | | 登録日 | 2022-01-14 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
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