8FM4
 
 | | HIV-1 gp120 complex with CJF-IV-047 | | 分子名称: | 2,2,2-trifluoroethyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120 | | 著者 | Gong, Z, Hendrickson, W.A. | | 登録日 | 2022-12-22 | | 公開日 | 2023-04-05 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6Z1D
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8DEI
 | | Structure of the Cac1 KER domain | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Maltodextrin-binding protein,Chromatin assembly factor 1 subunit p90 fusion, ... | | 著者 | Rosas, R, Churchill, M.E.A. | | 登録日 | 2022-06-20 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | A novel single alpha-helix DNA-binding domain in CAF-1 promotes gene silencing and DNA damage survival through tetrasome-length DNA selectivity and spacer function.
Elife, 12, 2023
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6FMU
 | | Thioredoxin glutathione reductase from Schistosome mansoni in complex with 2-[4-(4-amino-butyl)-piperazin-1-yl]-ethanol | | 分子名称: | 2-[4-(4-azanylbutyl)piperazin-1-yl]ethanol, FLAVIN-ADENINE DINUCLEOTIDE, TRIETHYLENE GLYCOL, ... | | 著者 | Silvestri, I, Fata, F, MIele, A.E, Boumis, G, Williams, D.L, Angelucci, F. | | 登録日 | 2018-02-02 | | 公開日 | 2018-06-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as "Doorstop" for NADPH Entry.
ACS Chem. Biol., 13, 2018
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5LIQ
 | | The structure of C160S,C508S,C578S mutant of Nt.BspD6I nicking endonuclease at 0.185 nm resolution . | | 分子名称: | GLYCEROL, Nicking endonuclease N.BspD6I, PHOSPHATE ION | | 著者 | Kachalova, G.S, Artyukh, R.I, Perevyazova, T.A, Yunusova, A.K, Popov, A.N, Bartunik, H.D, Zheleznaya, L.A. | | 登録日 | 2016-07-15 | | 公開日 | 2017-08-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural features of Cysteine residues mutation of the nicking endonuclease Nt.BspD6I.
To Be Published
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6Z36
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2118 | | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine, AMMONIUM ION, ... | | 著者 | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | 登録日 | 2020-05-19 | | 公開日 | 2020-05-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2118
To Be Published
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8QRH
 | | Inactivated tick-borne encephalitis virus (TBEV) vaccine strain Sofjin-Chumakov | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, Small envelope protein M | | 著者 | Moiseenko, A.V, Zhang, Y, Vorovitch, M, Ivanova, A, Liu, Z, Osolodkin, D.I, Egorov, A, Ishmukhametov, A, Sokolova, O.S. | | 登録日 | 2023-10-07 | | 公開日 | 2024-06-05 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | The structure of inactivated mature tick-borne encephalitis virus at 3.0 angstrom resolution.
Emerg Microbes Infect, 13, 2024
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7MQQ
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6QHD
 | | Lysine acetylated and tyrosine phosphorylated STAT3 in a complex with DNA | | 分子名称: | DNA (5'-D(*AP*AP*GP*AP*TP*TP*TP*AP*CP*GP*GP*GP*AP*AP*AP*TP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*AP*TP*TP*TP*CP*CP*CP*GP*TP*AP*AP*AP*TP*CP*T)-3'), Signal transducer and activator of transcription 3 | | 著者 | Arbely, E, Belo, Y, Shahar, A, Zarivach, R. | | 登録日 | 2019-01-16 | | 公開日 | 2019-06-19 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Unexpected implications of STAT3 acetylation revealed by genetic encoding of acetyl-lysine.
Biochim Biophys Acta Gen Subj, 1863, 2019
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5LCA
 | | VIM-2 metallo-beta-lactamase in complex with 3-oxo-2-(3-(trifluoromethyl)phenyl)isoindoline-4-carboxylic acid (compound 17) | | 分子名称: | 3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1~{H}-isoindole-4-carboxylic acid, GLYCEROL, Metallo-beta-lactamase VIM-2, ... | | 著者 | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | | 登録日 | 2016-06-20 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors.
Chem Sci, 8, 2017
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7QW8
 | | Adenine-specific DNA methyltransferase M.BseCI | | 分子名称: | Modification methylase BseCI | | 著者 | Mitsikas, D.A, Kouyianou, K, Kotsifaki, D, Providaki, M, Bouriotis, V, Glykos, N.M, Kokkinidis, M. | | 登録日 | 2022-01-24 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure of M.BseCI DNA methyltransferase from Geobacillus stearothermophilus.
To Be Published
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8FLZ
 | | HIV-1 gp120 complex with CJF-III-049-S | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3S)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide | | 著者 | Gong, Z, Hendrickson, W.A. | | 登録日 | 2022-12-22 | | 公開日 | 2023-04-05 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6Z5L
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6ZAA
 | | PI3K Delta in complex with methoxy(methylsulfamoyl)pyridinylN(methylpiperidinyl)dihydrobenzoxazinecarboxamide | | 分子名称: | 4-[6-methoxy-5-(methylsulfamoyl)pyridin-3-yl]-~{N}-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P. | | 登録日 | 2020-06-05 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta.
Acs Med.Chem.Lett., 11, 2020
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5LKS
 | | Structure-function insights reveal the human ribosome as a cancer target for antibiotics | | 分子名称: | 18S ribosomal RNA, 28S ribosomal RNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ... | | 著者 | Myasnikov, A.G, Natchiar, S.K, Nebout, M, Hazemann, I, Imbert, V, Khatter, H, Peyron, J.-F, Klaholz, B.P. | | 登録日 | 2016-07-23 | | 公開日 | 2017-04-26 | | 最終更新日 | 2019-12-11 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Structure-function insights reveal the human ribosome as a cancer target for antibiotics.
Nat Commun, 7, 2016
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6PZK
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5LSQ
 | | Ethylene Forming Enzyme from Pseudomonas syringae pv. phaseolicola - I222 crystal form | | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Ethylene Forming Enzyme, ... | | 著者 | Zhang, Z, McDonough, M.A, Schofield, C.J. | | 登録日 | 2016-09-05 | | 公開日 | 2017-04-19 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structural and stereoelectronic insights into oxygenase-catalyzed formation of ethylene from 2-oxoglutarate.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4YUI
 | | Multiconformer synchrotron model of CypA at 180 K | | 分子名称: | Peptidyl-prolyl cis-trans isomerase A | | 著者 | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | | 登録日 | 2015-03-18 | | 公開日 | 2015-10-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
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5LUH
 | | AadA E87Q in complex with ATP, calcium and streptomycin | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | | 著者 | Stern, A.L, Van der Verren, S.E, Selmer, M. | | 登録日 | 2016-09-08 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Structural mechanism of AadA, a dual-specificity aminoglycoside adenylyltransferase fromSalmonella enterica.
J.Biol.Chem., 293, 2018
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6VLA
 | | Hs05 - Intragenic antimicrobial peptide | | 分子名称: | Intragenic antimicrobial peptide | | 著者 | Santos, M.A, Silva, E.M.C, Brand, G.D, Oliveira, A.L. | | 登録日 | 2020-01-23 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Characterization of novel human Intragenic Antimicrobial Peptides, incorporation and release studies from ureasil-polyether hybrid matrix
Materials Science and Engineering C, Materials for Biological Applications, 119, 2020
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8VAS
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5KPM
 | | Glycogen Synthase Kinase 3 beta Complexed with BRD3731 | | 分子名称: | (4~{S})-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | | 著者 | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | | 登録日 | 2016-07-04 | | 公開日 | 2018-03-14 | | 最終更新日 | 2018-03-21 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
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6O0Y
 | | Conformational states of Cas9-sgRNA-DNA ternary complex in the presence of magnesium | | 分子名称: | 3' product of target strand DNA, 5' product of target strand DNA, CRISPR-associated endonuclease Cas9/Csn1, ... | | 著者 | Zhu, X, Clarke, R, Puppala, A.K, Chittori, S, Merk, A, Merrill, B.J, Simonovic, M, Subramaniam, S. | | 登録日 | 2019-02-17 | | 公開日 | 2019-07-10 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.37 Å) | | 主引用文献 | Cryo-EM structures reveal coordinated domain motions that govern DNA cleavage by Cas9.
Nat.Struct.Mol.Biol., 26, 2019
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7TPJ
 | | Single-Particle Cryo-EM Structure of the WaaL O-antigen ligase in its apo state | | 分子名称: | Fab Heavy (H) Chain, Fab Light (L) Chain, Putative cell surface polysaccharide polymerase/ligase | | 著者 | Ashraf, K.U, Nygaard, R, Vickery, O.N, Erramilli, S.K, Herrera, C.M, McConville, T.H, Petrou, V.I, Giacometti, S.I, Dufrisne, M.B, Nosol, K, Zinkle, A.P, Graham, C.L.B, Loukeris, M, Kloss, B, Skorupinska-Tudek, K, Swiezewska, E, Roper, D, Clarke, O.B, Uhlemann, A.C, Kossiakoff, A.A, Trent, M.S, Stansfeld, P.J, Mancia, F. | | 登録日 | 2022-01-25 | | 公開日 | 2022-04-06 | | 最終更新日 | 2022-04-27 | | 実験手法 | ELECTRON MICROSCOPY (3.46 Å) | | 主引用文献 | Structural basis of lipopolysaccharide maturation by the O-antigen ligase.
Nature, 604, 2022
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7TPG
 | | Single-Particle Cryo-EM Structure of the WaaL O-antigen ligase in its ligand bound state | | 分子名称: | Fab Heavy (H) Chain, Fab Light (L) Chain, GERANYL DIPHOSPHATE, ... | | 著者 | Ashraf, K.U, Nygaard, R, Vickery, O.N, Erramilli, S.K, Herrera, C.M, McConville, T.H, Petrou, V.I, Giacometti, S.I, Dufrisne, M.B, Nosol, K, Zinkle, A.P, Graham, C.L.B, Loukeris, M, Kloss, B, Skorupinska-Tudek, K, Swiezewska, E, Roper, D, Clarke, O.B, Uhlemann, A.C, Kossiakoff, A.A, Trent, M.S, Stansfeld, P.J, Mancia, F. | | 登録日 | 2022-01-25 | | 公開日 | 2022-04-06 | | 最終更新日 | 2022-04-27 | | 実験手法 | ELECTRON MICROSCOPY (3.23 Å) | | 主引用文献 | Structural basis of lipopolysaccharide maturation by the O-antigen ligase.
Nature, 604, 2022
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