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4JJS
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BU of 4jjs by Molmil
Crystal structure of HCV NS5B polymerase in complex with COMPOUND 2
分子名称: 2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-[2-(trifluoromethyl)phenoxy]benzoic acid, Genome polyprotein, MAGNESIUM ION
著者Coulombe, R.
登録日2013-03-08
公開日2013-06-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-based design of novel HCV NS5B thumb pocket 2 allosteric inhibitors with submicromolar gt1 replicon potency: Discovery of a quinazolinone chemotype.
Bioorg.Med.Chem.Lett., 23, 2013
5ZQK
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BU of 5zqk by Molmil
Dengue Virus Non Structural Protein 5
分子名称: 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ...
著者El Sahili, A, Soh, T.S, Schiltz, J, Gharbi-Ayachi, A, Goh, B.C, Seh, C.C, Dedon, P.C, Shi, P.Y, Lim, S.P, Lescar, J.
登録日2018-04-19
公開日2019-06-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献NS5 from Dengue Virus Serotype 2 Can Adopt a Conformation Analogous to That of Its Zika Virus and Japanese Encephalitis Virus Homologues.
J.Virol., 94, 2019
5T7B
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BU of 5t7b by Molmil
Argonaute-2 - 5'-(E)-vinylphosphonate 2'-O-methyl-uridine modified mrTTR guide RNA complex
分子名称: PHENOL, Protein argonaute-2, RNA (UVP)UAUAGAGCAAGAACACUGUU
著者Elkayam, E, Joshua-Tor, L.
登録日2016-09-02
公開日2016-12-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.529 Å)
主引用文献Protein structure
To Be Published
3MWV
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BU of 3mwv by Molmil
Crystal structure of HCV NS5B polymerase
分子名称: Genome polyprotein
著者Coulombe, R.
登録日2010-05-06
公開日2010-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Importance of ligand bioactive conformation in the discovery of potent indole-diamide inhibitors of the hepatitis C virus NS5B.
J.Am.Chem.Soc., 132, 2010
6WB0
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BU of 6wb0 by Molmil
+3 extended HIV-1 reverse transcriptase initiation complex core (pre-translocation state)
分子名称: HIV-1 viral RNA genome fragment, Reverse transcriptase/ribonuclease H, reverse transcriptase p51 subunit, ...
著者Larsen, K.P, Jackson, L.N, Kappel, K, Zhang, J, Puglisi, E.V.
登録日2020-03-26
公開日2020-06-24
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Distinct Conformational States Underlie Pausing during Initiation of HIV-1 Reverse Transcription.
J.Mol.Biol., 432, 2020
6N7P
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BU of 6n7p by Molmil
S. cerevisiae spliceosomal E complex (UBC4)
分子名称: 56 kDa U1 small nuclear ribonucleoprotein component, Nuclear cap-binding protein complex subunit 1, Nuclear cap-binding protein subunit 2, ...
著者Liu, S, Li, X, Zhou, Z.H, Zhao, R.
登録日2018-11-27
公開日2019-09-18
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献A unified mechanism for intron and exon definition and back-splicing.
Nature, 573, 2019
2HHU
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BU of 2hhu by Molmil
C:O6-methyl-guanine in the polymerase postinsertion site (-1 basepair position)
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*GP*CP*GP*AP*TP*CP*AP*GP*CP*CP*C)-3', 5'-D(*GP*TP*AP*CP*(6OG)P*GP*GP*CP*TP*GP*AP*TP*CP*GP*CP*A)-3', ...
著者Warren, J.J, Forsberg, L.J, Beese, L.S.
登録日2006-06-28
公開日2006-12-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structural basis for the mutagenicity of O6-methyl-guanine lesions.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2HHX
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BU of 2hhx by Molmil
O6-methyl-guanine in the polymerase template preinsertion site
分子名称: 5'-D(*CP*AP*TP*(6OG)P*CP*GP*AP*GP*TP*CP*AP*GP*G)-3', 5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*G)-3', DNA Polymerase I, ...
著者Warren, J.J, Forsberg, L.J, Beese, L.S.
登録日2006-06-28
公開日2006-12-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献The structural basis for the mutagenicity of O6-methyl-guanine lesions.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2HVI
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BU of 2hvi by Molmil
ddCTP:G pair in the polymerase active site (0 position)
分子名称: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*C*AP*TP*GP*CP*GP*AP*GP*TP*CP*AP*GP*G)-3', 5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*(DDG))-3', ...
著者Warren, J.J, Forsberg, L.J, Beese, L.S.
登録日2006-07-28
公開日2006-12-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献The structural basis for the mutagenicity of O6-methyl-guanine lesions.
Proc.Natl.Acad.Sci.Usa, 103, 2006
5L1Z
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BU of 5l1z by Molmil
TAR complex with HIV-1 Tat-AFF4-P-TEFb
分子名称: AF4/FMR2 family member 4, Cyclin-T1, Cyclin-dependent kinase 9, ...
著者Schulze-Gahmen, U, Hurley, J.
登録日2016-07-29
公開日2016-10-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (5.9 Å)
主引用文献Insights into HIV-1 proviral transcription from integrative structure and dynamics of the Tat:AFF4:P-TEFb:TAR complex.
Elife, 5, 2016
7V9U
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BU of 7v9u by Molmil
Cryo-EM structure of E.coli retron-Ec86 (RT-msDNA-RNA) at 3.2 angstrom
分子名称: DNA (105-MER), RNA (5'-R(P*CP*GP*UP*AP*AP*GP*GP*G)-3'), RNA (81-MER), ...
著者Wang, Y.J, Guan, Z.Y, Zou, T.T.
登録日2021-08-26
公開日2022-08-31
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Cryo-EM structures of Escherichia coli Ec86 retron complexes reveal architecture and defence mechanism.
Nat Microbiol, 7, 2022
3MIA
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BU of 3mia by Molmil
Crystal structure of HIV-1 Tat complexed with ATP-bound human P-TEFb
分子名称: Cell division protein kinase 9, Cyclin-T1, MAGNESIUM ION, ...
著者Tahirov, T.H, Babayeva, N.D, Varzavand, K, Cooper, J.J, Sedore, S.C, Price, D.H.
登録日2010-04-09
公開日2010-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of HIV-1 Tat complexed with human P-TEFb.
Nature, 465, 2010
5TUQ
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BU of 5tuq by Molmil
Crystal Structure of a 6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione Inhibitor in Complex with HIV Reverse Transcriptase
分子名称: 1-[(benzyloxy)methyl]-6-(cyclohexylmethyl)-3-hydroxy-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione, HIV-1 REVERSE TRANSCRIPTASE, MAGNESIUM ION
著者Kirby, K.A, Sarafianos, S.G.
登録日2016-11-07
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.705 Å)
主引用文献6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione as an inhibitor scaffold of HIV reverase transcriptase: Impacts of the 3-OH on inhibiting RNase H and polymerase.
Eur J Med Chem, 128, 2017
6XD3
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BU of 6xd3 by Molmil
Structure of the human CAK in complex with THZ1
分子名称: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
著者Greber, B.J, Perez-Bertoldi, J.M, Lim, K, Iavarone, A.T, Toso, D.B, Nogales, E.
登録日2020-06-09
公開日2020-09-09
最終更新日2020-09-30
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The cryoelectron microscopy structure of the human CDK-activating kinase.
Proc.Natl.Acad.Sci.USA, 117, 2020
6XBZ
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BU of 6xbz by Molmil
Structure of the human CDK-activating kinase
分子名称: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
著者Greber, B.J, Perez-Bertoldi, J.M, Lim, K, Iavarone, A.T, Toso, D.B, Nogales, E.
登録日2020-06-07
公開日2020-09-09
最終更新日2020-09-30
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献The cryoelectron microscopy structure of the human CDK-activating kinase.
Proc.Natl.Acad.Sci.USA, 117, 2020
4YD0
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BU of 4yd0 by Molmil
Influenza polymerase basic protein 2 (PB2) bound to an azaindole-tetrazole inhibitor
分子名称: 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-[(1R,2S,3S,4R)-3-(1H-tetrazol-5-yl)bicyclo[2.2.2]oct-2-yl]pyrimidin-4-amine, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2015-02-20
公開日2015-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Isosteric replacements of the carboxylic acid of drug candidate VX-787: Effect of charge on antiviral potency and kinase activity of azaindole-based influenza PB2 inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
6N9V
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BU of 6n9v by Molmil
Structure of bacteriophage T7 lagging-strand DNA polymerase (D5A/E7A) and gp4 (helicase/primase) bound to DNA including RNA/DNA hybrid, and an incoming dTTP (LagS1)
分子名称: DNA primase/helicase, DNA-directed DNA polymerase, MAGNESIUM ION, ...
著者Gao, Y, Fox, T, Val, N, Yang, W.
登録日2018-12-04
公開日2019-03-06
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structures and operating principles of the replisome.
Science, 363, 2019
6N9X
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BU of 6n9x by Molmil
Structure of bacteriophage T7 lagging-strand DNA polymerase (D5A/E7A) and gp4 (helicase/primase) bound to DNA including RNA/DNA hybrid, and an incoming dTTP (LagS3)
分子名称: DNA primase/helicase, DNA-directed DNA polymerase, MAGNESIUM ION, ...
著者Gao, Y, Fox, T, Val, N, Yang, W.
登録日2018-12-04
公開日2019-03-06
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structures and operating principles of the replisome.
Science, 363, 2019
8KC7
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BU of 8kc7 by Molmil
Rpd3S histone deacetylase complex
分子名称: Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ...
著者Dong, S, Li, H, Wang, M, Rasheed, N, Zou, B, Gao, X, Guan, J, Li, W, Zhang, J, Wang, C, Zhou, N, Shi, X, Li, M, Zhou, M, Huang, J, Li, H, Zhang, Y, Wong, K.H, Zhang, X, Chao, W.C.H, He, J.
登録日2023-08-06
公開日2023-09-13
最終更新日2023-10-18
実験手法ELECTRON MICROSCOPY (3.46 Å)
主引用文献Structural basis of nucleosome deacetylation and DNA linker tightening by Rpd3S histone deacetylase complex.
Cell Res., 33, 2023
3LP2
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BU of 3lp2 by Molmil
HIV-1 reverse transcriptase with inhibitor
分子名称: 3-[4-(diethylamino)phenoxy]-6-(ethoxycarbonyl)-5,8-dihydroxy-7-oxo-7,8-dihydro-1,8-naphthyridin-1-ium, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ...
著者Yan, Y, Munshi, S.K, Prasad, G.S, Su, H.P.
登録日2010-02-04
公開日2010-06-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for the inhibition of RNase H activity of HIV-1 reverse transcriptase by RNase H active site-directed inhibitors.
J.Virol., 84, 2010
3LP1
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HIV-1 reverse transcriptase with inhibitor
分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, 3-cyclopentyl-1,4-dihydroxy-1,8-naphthyridin-2(1H)-one, MANGANESE (II) ION, ...
著者Yan, Y, Munshi, S.K, Prasad, G.S, Su, H.P.
登録日2010-02-04
公開日2010-06-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structural basis for the inhibition of RNase H activity of HIV-1 reverse transcriptase by RNase H active site-directed inhibitors.
J.Virol., 84, 2010
3LP0
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BU of 3lp0 by Molmil
HIV-1 reverse transcriptase with inhibitor
分子名称: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ...
著者Yan, Y, Munshi, S.K, Prasad, G.S, Su, H.P.
登録日2010-02-04
公開日2010-06-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural basis for the inhibition of RNase H activity of HIV-1 reverse transcriptase by RNase H active site-directed inhibitors.
J.Virol., 84, 2010
4E5J
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BU of 4e5j by Molmil
Crystal structure of avian influenza virus PAn bound to compound 5
分子名称: 2-[3-(acetylamino)phenyl]-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid, MANGANESE (II) ION, Polymerase protein PA, ...
著者DuBois, R.M, Slavish, P.J, Webb, T.R, White, S.W.
登録日2012-03-14
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural and Biochemical Basis for Development of Influenza Virus Inhibitors Targeting the PA Endonuclease.
Plos Pathog., 8, 2012
3MI9
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BU of 3mi9 by Molmil
Crystal structure of HIV-1 Tat complexed with human P-TEFb
分子名称: Cell division protein kinase 9, Cyclin-T1, Protein Tat, ...
著者Tahirov, T.H, Babayeva, N.D, Varzavand, K, Cooper, J.J, Sedore, S.C, Price, D.H.
登録日2010-04-09
公開日2010-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of HIV-1 Tat complexed with human P-TEFb.
Nature, 465, 2010
5NZZ
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Crystal structure of phosphorylated p38aMAPK in complex with TAB1
分子名称: MAGNESIUM ION, Mitogen-activated protein kinase 14, NICKEL (II) ION, ...
著者Nichols, C.E, De Nicola, G.F.
登録日2017-05-15
公開日2018-05-30
最終更新日2018-09-19
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The TAB1-p38 alpha complex aggravates myocardial injury and can be targeted by small molecules.
JCI Insight, 3, 2018

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