7WLN
 
 | | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13153 | | 分子名称: | 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | | 登録日 | 2022-01-13 | | 公開日 | 2022-08-10 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
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7WNI
 | | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13158 | | 分子名称: | 1,2-ETHANEDIOL, 7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | | 登録日 | 2022-01-18 | | 公開日 | 2022-08-10 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.12 Å) | | 主引用文献 | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
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7D4F
 | | Structure of COVID-19 RNA-dependent RNA polymerase bound to suramin | | 分子名称: | 8-(3-(3-aminobenzamido)-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid, Non-structural protein 7, Non-structural protein 8, ... | | 著者 | Li, Z, Yin, W, Zhou, Z, Yu, X, Xu, H. | | 登録日 | 2020-09-23 | | 公開日 | 2020-11-11 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (2.57 Å) | | 主引用文献 | Structural basis for inhibition of the SARS-CoV-2 RNA polymerase by suramin.
Nat.Struct.Mol.Biol., 28, 2021
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6LS4
 | | A novel anti-tumor agent S-40 in complex with tubulin | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide, GLYCEROL, ... | | 著者 | Du, T, Lin, S, Ji, M, Xue, N, Liu, Y, Zhang, K, Lu, D, Chen, X, Xu, H. | | 登録日 | 2020-01-17 | | 公開日 | 2021-01-20 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | A novel orally active microtubule destabilizing agent S-40 targets the colchicine-binding site and shows potent antitumor activity.
Cancer Lett., 495, 2020
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7YL2
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y07004 | | 分子名称: | Bromodomain-containing protein 4, GLYCEROL, N-(1-ethyl-2-oxidanylidene-3H-indol-5-yl)cyclohexanesulfonamide, ... | | 著者 | Huang, Y, Wei, A, Dong, R, Xu, H, Zhang, C, Chen, Z, Li, J, Wu, X, Zhang, Y, Xu, Y. | | 登録日 | 2022-07-25 | | 公開日 | 2023-07-26 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y07004
To Be Published
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7E26
 | | Structure of PfFNT in apo state | | 分子名称: | Formate-nitrite transporter | | 著者 | Yan, C.Y, Jiang, X, Deng, D, Peng, X, Wang, N, Zhu, A, Xu, H, Li, J. | | 登録日 | 2021-02-04 | | 公開日 | 2021-08-18 | | 最終更新日 | 2023-05-17 | | 実験手法 | ELECTRON MICROSCOPY (2.29 Å) | | 主引用文献 | Structural characterization of the Plasmodium falciparum lactate transporter PfFNT alone and in complex with antimalarial compound MMV007839 reveals its inhibition mechanism.
Plos Biol., 19, 2021
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7E27
 | | Structure of PfFNT in complex with MMV007839 | | 分子名称: | (Z)-4,4,5,5,5-pentakis(fluoranyl)-1-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanyl-pent-2-en-1-one, Formate-nitrite transporter | | 著者 | Yan, C.Y, Jiang, X, Deng, D, Peng, X, Wang, N, Zhu, A, Xu, H, Li, J. | | 登録日 | 2021-02-04 | | 公開日 | 2021-08-18 | | 最終更新日 | 2023-05-17 | | 実験手法 | ELECTRON MICROSCOPY (2.29 Å) | | 主引用文献 | Structural characterization of the Plasmodium falciparum lactate transporter PfFNT alone and in complex with antimalarial compound MMV007839 reveals its inhibition mechanism.
Plos Biol., 19, 2021
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7YHN
 | | ANTI-TUMOR AGENT Y48 IN COMPLEX WITH TUBULIN | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-methyl-3-[(4-methylphenyl)sulfonylamino]-~{N}-[(6-methylpyridin-3-yl)methyl]benzamide, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Du, T, Ji, M, Hou, Z, Lin, S, Zhang, J, Wu, D, Zhang, K, Lu, D, Xu, H, Chen, X. | | 登録日 | 2022-07-14 | | 公開日 | 2023-07-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Optimization of Benzamide Derivatives as Potent and Orally Active Tubulin Inhibitors Targeting the Colchicine Binding Site.
J.Med.Chem., 65, 2022
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8GNH
 | | Complex structure of BD-218 and Spike protein | | 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, Heavy chain of BD-218, ... | | 著者 | Wang, B, Xu, H, Su, X.D. | | 登録日 | 2022-08-23 | | 公開日 | 2023-08-30 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3.74 Å) | | 主引用文献 | Human antibody BD-218 has broad neutralizing activity against concerning variants of SARS-CoV-2.
Int.J.Biol.Macromol., 227, 2023
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7WSM
 | | Cryo-EM structure of human glucose transporter GLUT4 bound to cytochalasin B in lipid nanodiscs | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytochalasin B, Solute carrier family 2, ... | | 著者 | Yuan, Y, Kong, F, Xu, H, Zhu, A, Yan, N, Yan, C. | | 登録日 | 2022-01-30 | | 公開日 | 2022-05-18 | | 最終更新日 | 2022-05-25 | | 実験手法 | ELECTRON MICROSCOPY (3.25 Å) | | 主引用文献 | Cryo-EM structure of human glucose transporter GLUT4.
Nat Commun, 13, 2022
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7WSN
 | | Cryo-EM structure of human glucose transporter GLUT4 bound to cytochalasin B in detergent micelles | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytochalasin B, Solute carrier family 2, ... | | 著者 | Yuan, Y, Kong, F, Xu, H, Zhu, A, Yan, N, Yan, C. | | 登録日 | 2022-01-30 | | 公開日 | 2022-05-18 | | 最終更新日 | 2022-05-25 | | 実験手法 | ELECTRON MICROSCOPY (3.31 Å) | | 主引用文献 | Cryo-EM structure of human glucose transporter GLUT4.
Nat Commun, 13, 2022
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7YQF
 | | Crystal structure of PDE4D complexed with glycyrrhisoflavone | | 分子名称: | 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ... | | 著者 | Liu, J.Y, Li, M.J, Xu, Y.C. | | 登録日 | 2022-08-06 | | 公開日 | 2023-07-12 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7YSX
 | | Crystal structure of PDE4D complexed with licoisoflavone A | | 分子名称: | 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ... | | 著者 | Liu, J.Y, Li, M.J, Xu, Y.C. | | 登録日 | 2022-08-13 | | 公開日 | 2023-07-12 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19.
Proc.Natl.Acad.Sci.USA, 120, 2023
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4O9L
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4O9F
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7WEU
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7WET
 | | Crystal structure of Peroxiredoxin I in complex with the inhibitor Cela | | 分子名称: | (2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid, Peroxiredoxin-1 | | 著者 | Zhang, H, Luo, C. | | 登録日 | 2021-12-24 | | 公開日 | 2022-12-28 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Celastrol suppresses colorectal cancer via covalent targeting peroxiredoxin 1.
Signal Transduct Target Ther, 8, 2023
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4DF6
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6KTH
 | | Crystal structure of Juvenile hormone diol kinase JHDK-L2 from silkworm, Bombyx mori | | 分子名称: | CALCIUM ION, GLYCEROL, Juvenile hormone diol kinase | | 著者 | Zhang, Y.S, Xu, H.Y, Wang, Z, Zhang, L, Zhao, P, Guo, P.C. | | 登録日 | 2019-08-28 | | 公開日 | 2020-09-02 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | Structural characterization and functional analysis of juvenile hormone diol kinase from the silkworm, Bombyx mori.
Int.J.Biol.Macromol., 167, 2021
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3H3P
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5ZOF
 | | Crystal Structure of D181A/R192F hFen1 in complex with DNA | | 分子名称: | DNA (5'-D(*AP*CP*TP*TP*TP*GP*AP*GP*GP*CP*AP*GP*AP*G)-3'), DNA (5'-D(*CP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*G)-3'), DNA (5'-D(*GP*CP*CP*CP*GP*TP*CP*C)-3'), ... | | 著者 | Han, W, Hua, Y, Zhao, Y. | | 登録日 | 2018-04-13 | | 公開日 | 2019-01-30 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.249 Å) | | 主引用文献 | Structural basis of 5' flap recognition and protein-protein interactions of human flap endonuclease 1.
Nucleic Acids Res., 46, 2018
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5ZOE
 | | Crystal Structure of D181A hFen1 in complex with DNA | | 分子名称: | DNA (5'-D(*AP*CP*TP*TP*TP*GP*AP*GP*GP*CP*AP*GP*AP*G)-3'), DNA (5'-D(*CP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*G)-3'), DNA (5'-D(*GP*CP*CP*CP*GP*TP*CP*C)-3'), ... | | 著者 | Han, W, Hua, Y, Zhao, Y. | | 登録日 | 2018-04-13 | | 公開日 | 2019-01-30 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structural basis of 5' flap recognition and protein-protein interactions of human flap endonuclease 1.
Nucleic Acids Res., 46, 2018
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5ZOD
 | | Crystal Structure of hFen1 in apo form | | 分子名称: | Flap endonuclease 1, MAGNESIUM ION, POTASSIUM ION | | 著者 | Han, W, Hua, Y, Zhao, Y. | | 登録日 | 2018-04-13 | | 公開日 | 2019-01-30 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural basis of 5' flap recognition and protein-protein interactions of human flap endonuclease 1.
Nucleic Acids Res., 46, 2018
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5ZOG
 | | Crystal Structure of R192F hFen1 in complex with DNA | | 分子名称: | DNA (5'-D(*CP*CP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*TP*GP*AP*GP*GP*CP*AP*GP*AP*GP*GP*AP*T)-3'), DNA (5'-D(P*TP*CP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*G)-3'), ... | | 著者 | Han, W, Hua, Y, Zhao, Y. | | 登録日 | 2018-04-13 | | 公開日 | 2019-01-30 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.299 Å) | | 主引用文献 | Structural basis of 5' flap recognition and protein-protein interactions of human flap endonuclease 1.
Nucleic Acids Res., 46, 2018
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8HTR
 | | Crystal structure of Bcl2 in complex with S-9c | | 分子名称: | 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | 著者 | Liu, J, Xu, M, Feng, Y, Liu, Y. | | 登録日 | 2022-12-21 | | 公開日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 2024
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