8C4A
 
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6ES3
 | | Structure of CDX2-DNA(TCG) | | 分子名称: | DNA (5'-D(P*GP*GP*AP*GP*GP*TP*CP*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*CP*GP*AP*CP*CP*TP*CP*C)-3'), Homeobox protein CDX-2 | | 著者 | Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J. | | 登録日 | 2017-10-19 | | 公開日 | 2018-03-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | Two distinct DNA sequences recognized by transcription factors represent enthalpy and entropy optima.
Elife, 7, 2018
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6DJC
 | | Crystal structure of human Bromodomain-containing protein 4 (BRD4) bromodomain with MS645 | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N,N'-(decane-1,10-diyl)bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide} | | 著者 | Ren, C, Zhou, M.M. | | 登録日 | 2018-05-25 | | 公開日 | 2018-07-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Spatially constrained tandem bromodomain inhibition bolsters sustained repression of BRD4 transcriptional activity for TNBC cell growth.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5WZS
 | | Crystal structure of human secreted phospholipase A2 group IIE with Compound 8 | | 分子名称: | 2-[2-methyl-1-(naphthalen-1-ylmethyl)-3-oxamoyl-indol-4-yl]oxyethanoic acid, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Hou, S, Xu, J, Xu, T, Liu, J. | | 登録日 | 2017-01-18 | | 公開日 | 2018-01-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE
Sci Rep, 7, 2017
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5WZM
 | | Crystal structure of human secreted phospholipase A2 group IIE | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Hou, S, Xu, J, Xu, T, Liu, J. | | 登録日 | 2017-01-18 | | 公開日 | 2018-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE
Sci Rep, 7, 2017
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5WZV
 | | Crystal structure of human secreted phospholipase A2 group IIE with Me-indoxam | | 分子名称: | 2-[2-methyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]indol-4-yl]oxyethanoic acid, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Hou, S, Xu, J, Xu, T, Liu, J. | | 登録日 | 2017-01-18 | | 公開日 | 2018-01-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE
Sci Rep, 7, 2017
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8IGO
 | | Crystal structure of apo SARS-CoV-2 main protease | | 分子名称: | 3C-like proteinase nsp5 | | 著者 | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | | 登録日 | 2023-02-21 | | 公開日 | 2023-04-05 | | 最終更新日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
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8IGN
 | | Crystal structure of SARS-CoV-2 main protease in complex with RAY1216 | | 分子名称: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5 | | 著者 | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | | 登録日 | 2023-02-21 | | 公開日 | 2023-04-05 | | 最終更新日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
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6M1J
 | | The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12x | | 分子名称: | 1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid, DIMETHYL SULFOXIDE, DNA gyrase subunit B, ... | | 著者 | Xu, Z.H, Zhou, Z. | | 登録日 | 2020-02-26 | | 公開日 | 2020-09-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.701 Å) | | 主引用文献 | Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
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6LU7
 | | The crystal structure of COVID-19 main protease in complex with an inhibitor N3 | | 分子名称: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | | 著者 | Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z. | | 登録日 | 2020-01-26 | | 公開日 | 2020-02-05 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
Nature, 582, 2020
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8W4S
 | | Crystal structure of PDE5A in complex with CVT-313 | | 分子名称: | 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), MAGNESIUM ION, ZINC ION, ... | | 著者 | Liu, J.Y, Li, M.J, Xu, Y.C. | | 登録日 | 2023-08-24 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.848 Å) | | 主引用文献 | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
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8W4T
 | | Crystal structure of PDE5A in complex with a novel inhibitor | | 分子名称: | 2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7~{H}-purin-8-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Liu, J.Y, Li, M.J, Xu, Y.C. | | 登録日 | 2023-08-24 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.199 Å) | | 主引用文献 | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
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5XLP
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5XL6
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5XL7
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5XLA
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5XHQ
 | | Apolipoprotein N-acyl Transferase | | 分子名称: | Apolipoprotein N-acyltransferase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Yingzhi, X, Yong, X, Guangyuan, L, Fei, S. | | 登録日 | 2017-04-23 | | 公開日 | 2017-07-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.587 Å) | | 主引用文献 | Crystal structure of E. coli apolipoprotein N-acyl transferase
Nat Commun, 8, 2017
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5XL4
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5XL8
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3UIZ
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8IWE
 | | Cryo-EM structure of the SPE-mTAAR9 complex | | 分子名称: | SPERMIDINE, Trace amine-associated receptor 9 | | 著者 | Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K. | | 登録日 | 2023-03-29 | | 公開日 | 2023-05-31 | | 最終更新日 | 2023-06-14 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023
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8IW1
 | | Cryo-EM structure of the PEA-bound mTAAR9-Golf complex | | 分子名称: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1,Guanine nucleotide-binding protein G(olf) subunit alpha, ... | | 著者 | Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K. | | 登録日 | 2023-03-29 | | 公開日 | 2023-05-31 | | 最終更新日 | 2023-06-14 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023
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8IW4
 | | Cryo-EM structure of the SPE-bound mTAAR9-Gs complex | | 分子名称: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | 著者 | Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K. | | 登録日 | 2023-03-29 | | 公開日 | 2023-05-31 | | 最終更新日 | 2023-06-14 | | 実験手法 | ELECTRON MICROSCOPY (3.49 Å) | | 主引用文献 | Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023
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8ITF
 | | Cryo-EM structure of the DMCHA-bound mTAAR9-Gs complex | | 分子名称: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | 著者 | Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K. | | 登録日 | 2023-03-22 | | 公開日 | 2023-05-31 | | 最終更新日 | 2023-06-14 | | 実験手法 | ELECTRON MICROSCOPY (3.46 Å) | | 主引用文献 | Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023
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8IW7
 | | Cryo-EM structure of the PEA-bound mTAAR9-Gs complex | | 分子名称: | 2-PHENYLETHYLAMINE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K. | | 登録日 | 2023-03-29 | | 公開日 | 2023-05-31 | | 最終更新日 | 2023-06-14 | | 実験手法 | ELECTRON MICROSCOPY (2.97 Å) | | 主引用文献 | Structural basis of amine odorant perception by a mammal olfactory receptor.
Nature, 618, 2023
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