7AIJ
 
 | | HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND L-METHIONINE TENOFOVIR | | Descriptor: | DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), Gag-Pol polyprotein, ... | | Authors: | Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K. | | Deposit date: | 2020-09-27 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
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7AID
 | | HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND D-ASPARTATE TENOFOVIR | | Descriptor: | D-Aspartate Tenofovir, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ... | | Authors: | Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K. | | Deposit date: | 2020-09-26 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
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7AIF
 | | HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND L-GLUTAMATE TENOFOVIR WITH BOUND MANGANESE | | Descriptor: | DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), Gag-Pol polyprotein, ... | | Authors: | Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K. | | Deposit date: | 2020-09-27 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
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7E26
 | | Structure of PfFNT in apo state | | Descriptor: | Formate-nitrite transporter | | Authors: | Yan, C.Y, Jiang, X, Deng, D, Peng, X, Wang, N, Zhu, A, Xu, H, Li, J. | | Deposit date: | 2021-02-04 | | Release date: | 2021-08-18 | | Last modified: | 2023-05-17 | | Method: | ELECTRON MICROSCOPY (2.29 Å) | | Cite: | 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 | | Descriptor: | (Z)-4,4,5,5,5-pentakis(fluoranyl)-1-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanyl-pent-2-en-1-one, Formate-nitrite transporter | | Authors: | Yan, C.Y, Jiang, X, Deng, D, Peng, X, Wang, N, Zhu, A, Xu, H, Li, J. | | Deposit date: | 2021-02-04 | | Release date: | 2021-08-18 | | Last modified: | 2023-05-17 | | Method: | ELECTRON MICROSCOPY (2.29 Å) | | Cite: | 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 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-methyl-3-[(4-methylphenyl)sulfonylamino]-~{N}-[(6-methylpyridin-3-yl)methyl]benzamide, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Du, T, Ji, M, Hou, Z, Lin, S, Zhang, J, Wu, D, Zhang, K, Lu, D, Xu, H, Chen, X. | | Deposit date: | 2022-07-14 | | Release date: | 2023-07-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 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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7BER
 | | SFX structure of the MyD88 TIR domain higher-order assembly (solved, rebuilt and refined using an identical protocol to the MicroED structure of the MyD88 TIR domain higher-order assembly) | | Descriptor: | Myeloid differentiation primary response protein MyD88 | | Authors: | Clabbers, M.T.B, Holmes, S, Muusse, T.W, Vajjhala, P, Thygesen, S.J, Malde, A.K, Hunter, D.J.B, Croll, T.I, Nanson, J.D, Rahaman, M.H, Aquila, A, Hunter, M.S, Liang, M, Yoon, C.H, Zhao, J, Zatsepin, N.A, Abbey, B, Sierecki, E, Gambin, Y, Darmanin, C, Kobe, B, Xu, H, Ve, T. | | Deposit date: | 2020-12-24 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | MyD88 TIR domain higher-order assembly interactions revealed by microcrystal electron diffraction and serial femtosecond crystallography.
Nat Commun, 12, 2021
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7BEQ
 | | MicroED structure of the MyD88 TIR domain higher-order assembly | | Descriptor: | Myeloid differentiation primary response protein MyD88 | | Authors: | Clabbers, M.T.B, Holmes, S, Muusse, T.W, Vajjhala, P, Thygesen, S.J, Malde, A.K, Hunter, D.J.B, Croll, T.I, Nanson, J.D, Rahaman, M.H, Aquila, A, Hunter, M.S, Liang, M, Yoon, C.H, Zhao, J, Zatsepin, N.A, Abbey, B, Sierecki, E, Gambin, Y, Darmanin, C, Kobe, B, Xu, H, Ve, T. | | Deposit date: | 2020-12-24 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-31 | | Method: | ELECTRON CRYSTALLOGRAPHY (3 Å) | | Cite: | MyD88 TIR domain higher-order assembly interactions revealed by microcrystal electron diffraction and serial femtosecond crystallography.
Nat Commun, 12, 2021
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7WSM
 | | Cryo-EM structure of human glucose transporter GLUT4 bound to cytochalasin B in lipid nanodiscs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytochalasin B, Solute carrier family 2, ... | | Authors: | Yuan, Y, Kong, F, Xu, H, Zhu, A, Yan, N, Yan, C. | | Deposit date: | 2022-01-30 | | Release date: | 2022-05-18 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | 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 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytochalasin B, Solute carrier family 2, ... | | Authors: | Yuan, Y, Kong, F, Xu, H, Zhu, A, Yan, N, Yan, C. | | Deposit date: | 2022-01-30 | | Release date: | 2022-05-18 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (3.31 Å) | | Cite: | Cryo-EM structure of human glucose transporter GLUT4.
Nat Commun, 13, 2022
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6LS4
 | | A novel anti-tumor agent S-40 in complex with tubulin | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide, GLYCEROL, ... | | Authors: | Du, T, Lin, S, Ji, M, Xue, N, Liu, Y, Zhang, K, Lu, D, Chen, X, Xu, H. | | Deposit date: | 2020-01-17 | | Release date: | 2021-01-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 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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7YSX
 | | Crystal structure of PDE4D complexed with licoisoflavone A | | Descriptor: | 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ... | | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | | Deposit date: | 2022-08-13 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | 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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7YQF
 | | Crystal structure of PDE4D complexed with glycyrrhisoflavone | | Descriptor: | 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ... | | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | | Deposit date: | 2022-08-06 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | 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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7WEU
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7WET
 | | Crystal structure of Peroxiredoxin I in complex with the inhibitor Cela | | Descriptor: | (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 | | Authors: | Zhang, H, Luo, C. | | Deposit date: | 2021-12-24 | | Release date: | 2022-12-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Celastrol suppresses colorectal cancer via covalent targeting peroxiredoxin 1.
Signal Transduct Target Ther, 8, 2023
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4O9L
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4O9F
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4DF6
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3H3P
 | | Crystal structure of HIV epitope-scaffold 4E10 Fv complex | | Descriptor: | 4E10_S0_1TJLC_004_N, CALCIUM ION, Fv 4E10 heavy chain, ... | | Authors: | Holmes, M.A. | | Deposit date: | 2009-04-16 | | Release date: | 2010-01-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Interactions between lipids and human anti-HIV antibody 4E10 can be reduced without ablating neutralizing activity
J.Virol., 84, 2010
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5ZOF
 | | Crystal Structure of D181A/R192F hFen1 in complex with DNA | | Descriptor: | 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'), ... | | Authors: | Han, W, Hua, Y, Zhao, Y. | | Deposit date: | 2018-04-13 | | Release date: | 2019-01-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.249 Å) | | Cite: | 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 | | Descriptor: | 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'), ... | | Authors: | Han, W, Hua, Y, Zhao, Y. | | Deposit date: | 2018-04-13 | | Release date: | 2019-01-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | 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 | | Descriptor: | Flap endonuclease 1, MAGNESIUM ION, POTASSIUM ION | | Authors: | Han, W, Hua, Y, Zhao, Y. | | Deposit date: | 2018-04-13 | | Release date: | 2019-01-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 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 | | Descriptor: | 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'), ... | | Authors: | Han, W, Hua, Y, Zhao, Y. | | Deposit date: | 2018-04-13 | | Release date: | 2019-01-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.299 Å) | | Cite: | Structural basis of 5' flap recognition and protein-protein interactions of human flap endonuclease 1.
Nucleic Acids Res., 46, 2018
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6KTH
 | | Crystal structure of Juvenile hormone diol kinase JHDK-L2 from silkworm, Bombyx mori | | Descriptor: | CALCIUM ION, GLYCEROL, Juvenile hormone diol kinase | | Authors: | Zhang, Y.S, Xu, H.Y, Wang, Z, Zhang, L, Zhao, P, Guo, P.C. | | Deposit date: | 2019-08-28 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | 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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8YL9
 | | Crystal structures of terpene synthases complexed with a substrate mimic | | Descriptor: | MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, PYROPHOSPHATE, ... | | Authors: | Xu, M, Ma, M. | | Deposit date: | 2024-03-05 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural Insights into the Terpene Cyclization Domains of Two Fungal Sesterterpene Synthases and Enzymatic Engineering for Sesterterpene Diversification.
Angew.Chem.Int.Ed.Engl., 2024
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