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3Q0Z
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BU of 3q0z by Molmil
Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5h-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid
分子名称: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, RNA-directed RNA polymerase, SULFATE ION
著者Sheriff, S.
登録日2010-12-16
公開日2011-04-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Syntheses and initial evaluation of a series of indolo-fused heterocyclic inhibitors of the polymerase enzyme (NS5B) of the hepatitis C virus.
Bioorg.Med.Chem.Lett., 21, 2011
7CGK
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BU of 7cgk by Molmil
Crystal Structure of PUF-8 in Complex with PBE-RNA
分子名称: CHLORIDE ION, PBE-5A (5'-R(P*UP*GP*UP*AP*AP*AP*UP*A)-3'), PUM-HD domain-containing protein
著者Zheng, X, Yunyu, S, Shouhong, G.
登録日2020-07-01
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural recognition of the mRNA 3' UTR by PUF-8 restricts the lifespan of C. elegans.
Nucleic Acids Res., 49, 2021
7CGM
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BU of 7cgm by Molmil
Crystal Structure of PUF-8 in Complex with PBE-RNA
分子名称: CHLORIDE ION, PBE-5U (5'-R(P*UP*GP*UP*AP*UP*AP*UP*A)-3'), PUM-HD domain-containing protein
著者Zheng, X, Yunyu, S, Shouhong, G.
登録日2020-07-01
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural recognition of the mRNA 3' UTR by PUF-8 restricts the lifespan of C. elegans.
Nucleic Acids Res., 49, 2021
7CGL
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BU of 7cgl by Molmil
Crystal Structure of PUF-8 in Complex with PBE-RNA
分子名称: CHLORIDE ION, PBE-5C (5'-R(P*UP*GP*UP*AP*CP*AP*UP*A)-3'), PUM-HD domain-containing protein
著者Zheng, X, Yunyu, S, Shouhong, G.
登録日2020-07-01
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural recognition of the mRNA 3' UTR by PUF-8 restricts the lifespan of C. elegans.
Nucleic Acids Res., 49, 2021
7CGI
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BU of 7cgi by Molmil
Crystal Structure of PUF-8 in Complex with PBE-RNA
分子名称: CHLORIDE ION, PBE-5U (5'-R(P*UP*GP*UP*AP*UP*AP*UP*A)-3'), PUM-HD domain-containing protein
著者Zheng, X, Yunyu, S, Shouhong, G.
登録日2020-07-01
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.796 Å)
主引用文献Structural recognition of the mRNA 3' UTR by PUF-8 restricts the lifespan of C. elegans.
Nucleic Acids Res., 49, 2021
7CGF
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BU of 7cgf by Molmil
Crystal Structure of PUF-8 in Complex with PBE-RNA
分子名称: CHLORIDE ION, PBE-5G (5'-R(P*UP*GP*UP*AP*GP*AP*UP*A)-3'), PUM-HD domain-containing protein
著者Zheng, X, Yunyu, S.
登録日2020-07-01
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural recognition of the mRNA 3' UTR by PUF-8 restricts the lifespan of C. elegans.
Nucleic Acids Res., 49, 2021
7CGG
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BU of 7cgg by Molmil
Crystal Structure of PUF-8 in Complex with PBE-RNA
分子名称: CHLORIDE ION, PBE-5A (5'-R(P*UP*GP*UP*AP*AP*AP*UP*A)-3'), PUM-HD domain-containing protein
著者Zheng, X, Yunyu, S.
登録日2020-07-01
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural recognition of the mRNA 3' UTR by PUF-8 restricts the lifespan of C. elegans.
Nucleic Acids Res., 49, 2021
7CGJ
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BU of 7cgj by Molmil
Crystal Structure of PUF-8 in Complex with PBE-RNA
分子名称: CHLORIDE ION, PBE-5G (5'-R(P*UP*GP*UP*AP*GP*AP*UP*A)-3'), PUM-HD domain-containing protein
著者Zheng, X, Yunyu, S, Shouhong, G.
登録日2020-07-01
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.546 Å)
主引用文献Structural recognition of the mRNA 3' UTR by PUF-8 restricts the lifespan of C. elegans.
Nucleic Acids Res., 49, 2021
7CGH
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BU of 7cgh by Molmil
Crystal Structure of PUF-8 in Complex with PBE-RNA
分子名称: CHLORIDE ION, PBE-5C (5'-R(P*UP*GP*UP*AP*CP*AP*UP*A)-3'), PUM-HD domain-containing protein
著者Zheng, X, Yunyu, S, Shouhong, G.
登録日2020-07-01
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural recognition of the mRNA 3' UTR by PUF-8 restricts the lifespan of C. elegans.
Nucleic Acids Res., 49, 2021
5HAA
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BU of 5haa by Molmil
Crystal structure of mpy-RNase J, an archaeal RNase J from Methanolobus psychrophilus R15
分子名称: Ribonuclease J, SULFATE ION, ZINC ION
著者Feng, N, Li, D.F.
登録日2015-12-30
公開日2017-01-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.904 Å)
主引用文献Molecular insights into catalysis and processive exonucleolytic mechanisms of prokaryotic RNase J revealing striking parallels with that of eukaryotic Xrn1
To Be Published
5HAB
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BU of 5hab by Molmil
Crystal structure of mpy-RNase J (mutant H84A), an archaeal RNase J from Methanolobus psychrophilus R15, complex with RNA
分子名称: RNA (5'-R(P*AP*AP*AP*AP*A)-3'), Ribonuclease J, SULFATE ION
著者Li, D.F, Feng, N.
登録日2015-12-30
公開日2017-01-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular insights into catalysis and processive exonucleolytic mechanisms of prokaryotic RNase J revealing striking parallels with that of eukaryotic Xrn1
To Be Published
8K20
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BU of 8k20 by Molmil
Cryo-EM structure of KEOPS complex from Arabidopsis thaliana
分子名称: At4g34412, At5g53043, FE (III) ION, ...
著者Zheng, X.X, Zhu, L, Duan, L, Zhang, W.H.
登録日2023-07-11
公開日2024-04-03
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Molecular basis of A. thaliana KEOPS complex in biosynthesizing tRNA t6A.
Nucleic Acids Res., 52, 2024
2N1Q
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BU of 2n1q by Molmil
HIV-1 Core Packaging Signal
分子名称: RNA_(155-MER)
著者Keane, S.C, Summers, M.F.
登録日2015-04-15
公開日2015-05-27
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献RNA structure. Structure of the HIV-1 RNA packaging signal.
Science, 348, 2015
6BG9
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BU of 6bg9 by Molmil
HYBRID NMR/CRYO-EM STRUCTURE OF THE HIV-1 RNA DIMERIZATION SIGNAL
分子名称: RNA dimerization signal
著者Summers, M.F.
登録日2017-10-27
公開日2018-02-21
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (9 Å), SOLUTION NMR
主引用文献Structure of the 30 kDa HIV-1 RNA Dimerization Signal by a Hybrid Cryo-EM, NMR, and Molecular Dynamics Approach.
Structure, 26, 2018
8BI2
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BU of 8bi2 by Molmil
Syk kinase domain in complex with macrocyclic inhibitor 20a
分子名称: 10,13,23-trimethyl-16-oxa-2,4,8,9,13,19,23,30-octazapentacyclo[19.5.2.1^{3,7}.1^{8,11}.0^{24,28}]triaconta-1(27),3,5,7(30),9,11(29),21,24(28),25-nonaen-20-one, Tyrosine-protein kinase SYK
著者Read, J.A, Patel, J.
登録日2022-11-01
公開日2023-06-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.508 Å)
主引用文献Optimization of a series of novel, potent and selective Macrocyclic SYK inhibitors.
Bioorg.Med.Chem.Lett., 91, 2023
1EH4
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BU of 1eh4 by Molmil
BINARY COMPLEX OF CASEIN KINASE-1 FROM S. POMBE WITH AN ATP COMPETITIVE INHIBITOR, IC261
分子名称: 3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-INDOLIN-2-ONE, CASEIN KINASE-1, SULFATE ION
著者Mashhoon, N, Demaggio, A.J, Tereshko, V, Bergmeier, S.C, Egli, M, Hoekstra, M.F, Kuret, J.
登録日2000-02-18
公開日2001-09-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of a Conformation-Selective Casein Kinase-1 Inhibitor
J.Biol.Chem., 275, 2000
4W5S
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BU of 4w5s by Molmil
Tankyrase in complex with compound
分子名称: 8-(hydroxymethyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]quinazolin-4(3H)-one, GLYCEROL, Tankyrase-1, ...
著者Johannes, J, Kazmirski, S.L, Boriack-Sjodin, P.A, Howard, T.
登録日2014-08-18
公開日2015-05-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
6WOK
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BU of 6wok by Molmil
Crystal structure of estrogen receptor alpha in complex with receptor degrader 6
分子名称: (1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, Estrogen receptor
著者Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Wang, X, Labadie, S.
登録日2020-04-24
公開日2020-07-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.309 Å)
主引用文献Discovery of GNE-149 as a Full Antagonist and Efficient Degrader of Estrogen Receptor alpha for ER+ Breast Cancer.
Acs Med.Chem.Lett., 11, 2020
4W6E
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BU of 4w6e by Molmil
Human Tankyrase 1 with small molecule inhibitor
分子名称: 2-(4-{6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3H)-one, Tankyrase-1, ZINC ION
著者Kazmirski, S.L, Johannes, J, Boriack-Sjodin, P.A, Howard, T.
登録日2014-08-20
公開日2015-05-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
6WFK
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BU of 6wfk by Molmil
Crystal structure of human Naa50 in complex with CoA and an inhibitor (compound 4a) identified using DNA encoded library technology
分子名称: (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, COENZYME A, N-alpha-acetyltransferase 50
著者Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E.
登録日2020-04-03
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
6DF6
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BU of 6df6 by Molmil
Crystal structure of estrogen receptor alpha in complex with receptor degrader 16ab
分子名称: (8R)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol, Estrogen receptor, GLYCEROL
著者Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Ortwine, D.F, Nettles, K.W, Nwachukwu, J.C.
登録日2018-05-14
公開日2019-02-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha.
Bioorg. Med. Chem. Lett., 29, 2019
6DWO
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BU of 6dwo by Molmil
Crystal structure of alpha-1-2-mannosidase from Enterococcus faecalis V583
分子名称: ACETATE ION, Alpha-1,2-mannosidase, CALCIUM ION, ...
著者Fisher, A.J, Li, Y.
登録日2018-06-26
公開日2019-10-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Enterococcus faecalis alpha 1-2-mannosidase (EfMan-I): an efficient catalyst for glycoprotein N-glycan modification.
Febs Lett., 594, 2020
5WOP
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BU of 5wop by Molmil
High Resolution Structure of Mutant CA09-PB2cap
分子名称: GLYCEROL, Polymerase PB2
著者Constantinides, A.E, Gumpper, R.H, Severin, C, Luo, M.
登録日2017-08-02
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献High-resolution structure of the Influenza A virus PB2cap binding domain illuminates the changes induced by ligand binding.
Acta Crystallogr F Struct Biol Commun, 74, 2018
4USG
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BU of 4usg by Molmil
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
2FKC
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BU of 2fkc by Molmil
Crystal Form I of Pre-Reactive Complex of Restriction Endonuclease HinP1I with Cognate DNA and Calcium Ion
分子名称: 5'-D(*CP*CP*AP*GP*CP*GP*CP*TP*GP*G)-3', CALCIUM ION, R.HinP1I restriction endonuclease
著者Horton, J.R.
登録日2006-01-04
公開日2006-02-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献DNA nicking by HinP1I endonuclease: bending, base flipping and minor groove expansion.
Nucleic Acids Res., 34, 2006

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