8AHI
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8AHE
| PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery | 分子名称: | SULFATE ION, UDP-N-acetylglucosamine 2-epimerase, ~{N},5-dimethyl-1-phenyl-pyrazole-4-sulfonamide | 著者 | Baker, L.M, Murray, J.B, Hubbard, R.E. | 登録日 | 2022-07-21 | 公開日 | 2022-09-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.108 Å) | 主引用文献 | PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery. Rsc Med Chem, 13, 2022
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8AHF
| PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery | 分子名称: | (2~{R},4~{S})-4-[bis(fluoranyl)methoxy]-~{N}-methyl-1-(2~{H}-pyrazolo[4,3-b]pyridin-6-ylcarbonyl)pyrrolidine-2-carboxamide, SULFATE ION, UDP-N-acetylglucosamine 2-epimerase | 著者 | Baker, L.M, Murray, J.B, Hubbard, R.E. | 登録日 | 2022-07-21 | 公開日 | 2022-09-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.271 Å) | 主引用文献 | PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery. Rsc Med Chem, 13, 2022
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6U34
| Binary complex of native hAChE with oxime reactivator RS194B | 分子名称: | (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide, Acetylcholinesterase, GLYCEROL, ... | 著者 | Kovalevsky, A, Gerlits, O, Radic, Z. | 登録日 | 2019-08-21 | 公開日 | 2020-02-12 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase. J.Biol.Chem., 295, 2020
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6U37
| Structure of VX-phosphonylated hAChE in complex with oxime reactivator RS194B | 分子名称: | (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide, Acetylcholinesterase, GLYCEROL, ... | 著者 | Kovalevsky, A, Gerlits, O, Radic, Z. | 登録日 | 2019-08-21 | 公開日 | 2020-02-12 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase. J.Biol.Chem., 295, 2020
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6U3P
| Binary complex of native hAChE with oxime reactivator LG-703 | 分子名称: | (2E,2'E)-N,N'-[1,4-diazepane-1,4-diyldi(ethane-2,1-diyl)]bis[2-(hydroxyimino)acetamide], Acetylcholinesterase, DIMETHYL SULFOXIDE | 著者 | Kovalevsky, A, Gerlits, O, Radic, Z. | 登録日 | 2019-08-22 | 公開日 | 2020-02-12 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase. J.Biol.Chem., 295, 2020
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8D95
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8DEA
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8DG6
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6OY3
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5EOA
| Crystal structure of OPTN E50K mutant and TBK1 complex | 分子名称: | Optineurin, Serine/threonine-protein kinase TBK1 | 著者 | Li, F, Xie, X, Liu, J, Pan, L. | 登録日 | 2015-11-10 | 公開日 | 2016-09-28 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.503 Å) | 主引用文献 | Structural insights into the interaction and disease mechanism of neurodegenerative disease-associated optineurin and TBK1 proteins. Nat Commun, 7, 2016
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4USG
| Crystal structure of PC4 W89Y mutant complex with DNA | 分子名称: | 5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP *TP*TP*TP*TP*TP*G)-3', ACTIVATED RNA POLYMERASE II TRANSCRIPTIONAL COACTIVATOR P15 | 著者 | Zhao, Y, Liu, J. | 登録日 | 2014-07-08 | 公開日 | 2015-03-18 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.973 Å) | 主引用文献 | Substitution of Tryptophan 89 with Tyrosine Switches the DNA Binding Mode of Pc4. Sci.Rep., 5, 2015
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7BV6
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7BV4
| Crystal structure of STX17 LIR region in complex with GABARAP | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Gamma-aminobutyric acid receptor-associated protein, ... | 著者 | Li, Y, Pan, L.F. | 登録日 | 2020-04-09 | 公開日 | 2020-09-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Decoding three distinct states of the Syntaxin17 SNARE motif in mediating autophagosome-lysosome fusion. Proc.Natl.Acad.Sci.USA, 117, 2020
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4YT6
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5EP6
| The crystal structure of NAP1 in complex with TBK1 | 分子名称: | 5-azacytidine-induced protein 2, GLYCEROL, Serine/threonine-protein kinase TBK1 | 著者 | Li, F, Xie, X, Liu, J, Pan, L. | 登録日 | 2015-11-11 | 公開日 | 2016-09-28 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.451 Å) | 主引用文献 | Structural insights into the interaction and disease mechanism of neurodegenerative disease-associated optineurin and TBK1 proteins. Nat Commun, 7, 2016
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5EOF
| Crystal structure of OPTN NTD and TBK1 CTD complex | 分子名称: | Optineurin, Serine/threonine-protein kinase TBK1 | 著者 | Li, F, Xie, X, Liu, J, Pan, L. | 登録日 | 2015-11-10 | 公開日 | 2016-09-28 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structural insights into the interaction and disease mechanism of neurodegenerative disease-associated optineurin and TBK1 proteins. Nat Commun, 7, 2016
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2BZG
| Crystal structure of thiopurine S-methyltransferase. | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, S-ADENOSYL-L-HOMOCYSTEINE, THIOPURINE S-METHYLTRANSFERASE | 著者 | Battaile, K.P, Wu, H, Zeng, H, Loppnau, P, Dong, A, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | 登録日 | 2005-08-17 | 公開日 | 2005-08-25 | 最終更新日 | 2019-05-15 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Structural Basis of Allele Variation of Human Thiopurine-S-Methyltransferase. Proteins, 67, 2007
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4JYU
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4JYV
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4X9J
| EGR-1 with Doubly Methylated DNA | 分子名称: | DNA (5'-D(*AP*GP*(5CM)P*GP*TP*GP*GP*GP*(5CM)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*(5CM)P*GP*C)-3'), Early growth response protein 1, ... | 著者 | White, M.A, Zandarashvili, L, Iwahara, J. | 登録日 | 2014-12-11 | 公開日 | 2015-05-13 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.412 Å) | 主引用文献 | Structural impact of complete CpG methylation within target DNA on specific complex formation of the inducible transcription factor Egr-1. Febs Lett., 589, 2015
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4XIC
| ANTPHD WITH 15BP di-thioate modified DNA DUPLEX | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*(C2S)P*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), ... | 著者 | White, M.A, Zandarashvili, L, Iwahara, J. | 登録日 | 2015-01-06 | 公開日 | 2015-11-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | 主引用文献 | Entropic Enhancement of Protein-DNA Affinity by Oxygen-to-Sulfur Substitution in DNA Phosphate. Biophys.J., 109, 2015
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4BHM
| The crystal structure of MoSub1-DNA complex reveals a novel DNA binding mode | 分子名称: | 5'-D(*TP*TP*TP*TP*TP*TP*TP*TP)-3', MOSUB1 TRANSCRIPTION COFACTOR, SULFATE ION | 著者 | Huang, J, Liu, H, Zhao, Y, Huang, D, liu, J, Peng, Y. | 登録日 | 2013-04-04 | 公開日 | 2014-04-23 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Substitution of Tryptophan 89 with Tyrosine Switches the DNA Binding Mode of Pc4. Sci.Rep., 5, 2015
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8GPY
| Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv | 分子名称: | Spike protein S1, scFv | 著者 | Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y. | 登録日 | 2022-08-27 | 公開日 | 2023-06-28 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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8GOU
| Omicron BA.4/5 SARS-CoV-2 S in complex with TH003 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH003 Fab heavy chain, ... | 著者 | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | 登録日 | 2022-08-25 | 公開日 | 2023-06-28 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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