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7LM4
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BU of 7lm4 by Molmil
The crystal structure of the I38T mutant PA Endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988503
分子名称: 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, P.J, Jayaraman, S, Rankovic, Z, White, S.W.
登録日2021-02-05
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
7NBV
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BU of 7nbv by Molmil
Structure of 2A protein from Theilers murine encephalomyelitis virus (TMEV)
分子名称: BROMIDE ION, Capsid protein VP0
著者Hill, C.H, Cook, G.M, Napthine, S, Kibe, A, Brown, K, Caliskan, N, Firth, A.E, Graham, S.C, Brierley, I.
登録日2021-01-28
公開日2021-12-08
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Investigating molecular mechanisms of 2A-stimulated ribosomal pausing and frameshifting in Theilovirus.
Nucleic Acids Res., 49, 2021
7LBM
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BU of 7lbm by Molmil
Structure of the human Mediator-bound transcription pre-initiation complex
分子名称: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
著者Abdella, R, Talyzina, A, He, Y.
登録日2021-01-08
公開日2021-03-24
最終更新日2021-04-14
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Structure of the human Mediator-bound transcription preinitiation complex.
Science, 372, 2021
7BG9
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BU of 7bg9 by Molmil
The catalytic core lobe of human telomerase in complex with a telomeric DNA substrate
分子名称: DNA (5'-D(P*TP*TP*AP*GP*GP*G)-3'), Histone H2A, Histone H2B, ...
著者Nguyen, T.H.D, Ghanim, G.E, Fountain, A.J, van Roon, A.M.M, Rangan, R, Das, R, Collins, K.
登録日2021-01-06
公開日2021-04-28
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of human telomerase holoenzyme with bound telomeric DNA.
Nature, 593, 2021
7DTE
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BU of 7dte by Molmil
SARS-CoV-2 RdRP catalytic complex with T33-1 RNA
分子名称: Non-structural protein 7, Non-structural protein 8, RNA (33-MER), ...
著者Wang, Q, Gong, P.
登録日2021-01-04
公開日2021-10-20
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Remdesivir overcomes the S861 roadblock in SARS-CoV-2 polymerase elongation complex.
Cell Rep, 37, 2021
7DOC
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BU of 7doc by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound 5
分子名称: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, Core protein, Genome polyprotein, ...
著者Quek, J.P.
登録日2020-12-14
公開日2021-04-14
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献2-Cyanoisonicotinamide Conjugation: A Facile Approach to Generate Potent Peptide Inhibitors of the Zika Virus Protease.
Acs Med.Chem.Lett., 12, 2021
7L1F
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BU of 7l1f by Molmil
SARS-CoV-2 RdRp in complex with 4 Remdesivir monophosphate
分子名称: Non-structural protein 7, Non-structural protein 8, RNA (5'-R(P*AP*UP*UP*UP*UP*AP*AP*UP*AP*GP*CP*UP*UP*CP*UP*UP*AP*G)-3'), ...
著者Bravo, J.P.K, Taylor, D.W.
登録日2020-12-14
公開日2021-02-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.89 Å)
主引用文献Remdesivir is a delayed translocation inhibitor of SARS-CoV-2 replication.
Mol.Cell, 81, 2021
7DOK
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BU of 7dok by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase (extended conformation) bound to penciclovir
分子名称: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
著者Li, Z, Yu, X.
登録日2020-12-14
公開日2021-12-15
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
7DOI
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BU of 7doi by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase bound to penciclovir.
分子名称: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
著者Li, Z, Yu, X.
登録日2020-12-14
公開日2021-12-15
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
7B7U
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BU of 7b7u by Molmil
Cryo-EM structure of mammalian RNA polymerase II in complex with human RPAP2
分子名称: DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB3, ...
著者Fianu, I, Dienemann, C, Aibara, S, Schilbach, S, Cramer, P.
登録日2020-12-11
公開日2021-05-19
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Cryo-EM structure of mammalian RNA polymerase II in complex with human RPAP2.
Commun Biol, 4, 2021
7B3B
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BU of 7b3b by Molmil
Structure of elongating SARS-CoV-2 RNA-dependent RNA polymerase with Remdesivir at position -3 (structure 1)
分子名称: DNA/RNA (5'-R(P*CP*UP*AP*CP*GP*CP*G)-D(P*(RMP))-R(P*UP*G)-3'), Non-structural protein 7, Non-structural protein 8, ...
著者Kokic, G, Hillen, H.S, Tegunov, D, Dienemann, C, Seitz, F, Schmitzova, J, Farnung, L, Siewert, A, Hoebartner, C, Cramer, P.
登録日2020-11-30
公開日2020-12-23
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Mechanism of SARS-CoV-2 polymerase stalling by remdesivir.
Nat Commun, 12, 2021
7B3C
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BU of 7b3c by Molmil
Structure of elongating SARS-CoV-2 RNA-dependent RNA polymerase with Remdesivir at position -4 (structure 2)
分子名称: DNA/RNA (5'-R(P*CP*UP*AP*CP*GP*CP*A)-D(P*(RMP))-R(P*GP*UP*G)-3'), Non-structural protein 7, Non-structural protein 8, ...
著者Kokic, G, Hillen, H.S, Tegunov, D, Dienemann, C, Seitz, F, Schmitzova, J, Farnung, L, Siewert, A, Hoebartner, C, Cramer, P.
登録日2020-11-30
公開日2020-12-23
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Mechanism of SARS-CoV-2 polymerase stalling by remdesivir.
Nat Commun, 12, 2021
7B3D
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BU of 7b3d by Molmil
Structure of elongating SARS-CoV-2 RNA-dependent RNA polymerase with AMP at position -4 (structure 3)
分子名称: RNA (5'-R(P*CP*UP*AP*CP*GP*CP*AP*GP*UP*G)-3'), RNA (5'-R(P*UP*GP*CP*AP*CP*UP*GP*CP*GP*UP*AP*G)-3'), SARS-CoV-2 RNA-dependent RNA polymerase nsp12, ...
著者Kokic, G, Hillen, H.S, Tegunov, D, Dienemann, C, Seitz, F, Schmitzova, J, Farnung, L, Siewert, A, Hoebartner, C, Cramer, P.
登録日2020-11-30
公開日2020-12-23
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Mechanism of SARS-CoV-2 polymerase stalling by remdesivir.
Nat Commun, 12, 2021
7KRN
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BU of 7krn by Molmil
Structure of SARS-CoV-2 backtracked complex bound to nsp13 helicase - nsp13(1)-BTC
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ...
著者Chen, J, Malone, B, Campbell, E.A, Darst, S.A.
登録日2020-11-20
公開日2021-04-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural basis for backtracking by the SARS-CoV-2 replication-transcription complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
7KRP
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BU of 7krp by Molmil
Structure of SARS-CoV-2 backtracked complex complex bound to nsp13 helicase - BTC (local refinement)
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHAPSO, MAGNESIUM ION, ...
著者Chen, J, Malone, B, Campbell, E.A, Darst, S.A.
登録日2020-11-20
公開日2021-04-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis for backtracking by the SARS-CoV-2 replication-transcription complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
7KRO
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BU of 7kro by Molmil
Structure of SARS-CoV-2 backtracked complex complex bound to nsp13 helicase - nsp13(2)-BTC
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ...
著者Chen, J, Malone, B, Campbell, E.A, Darst, S.A.
登録日2020-11-20
公開日2021-04-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural basis for backtracking by the SARS-CoV-2 replication-transcription complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
7KOP
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BU of 7kop by Molmil
The crystal structure of the 2009/H1N1/California PA endonuclease I38T mutant in complex with SJ000988539
分子名称: 2-(2-fluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, P.J, Seetharaman, J, White, S.W.
登録日2020-11-09
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献The crystal structure of the 2009/H1N1/California PA endonuclease I38T mutant in complex with SJ000988539
To Be Published
7DFG
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BU of 7dfg by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase bound to favipiravir
分子名称: 6-fluoro-3-oxo-4-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide, MAGNESIUM ION, Non-structural protein 7, ...
著者Li, Z, Zhou, Z, Yu, X.
登録日2020-11-08
公開日2021-11-17
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
7DFH
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BU of 7dfh by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase bound to ribavirin
分子名称: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
著者Li, Z, Zhou, Z, Yu, X.
登録日2020-11-08
公開日2021-11-17
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
7KNY
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BU of 7kny by Molmil
The crystal structure of the I38T mutant PA endonuclease (2009/H1N1/California) in complex with SJ000988528
分子名称: 2-(2-fluorophenyl)-5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, P.J, Jayaraman, S, White, S.W.
登録日2020-11-06
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献The crystal structure of the I38T mutant PA endonuclease (2009/H1N1/California) in complex with SJ000988528
To Be Published
7KNR
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BU of 7knr by Molmil
The crystal structure of the I38T mutant PA endonuclease (2009/H1N1/California) in complex with SJ000988558
分子名称: 2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, P.J, Jayaraman, S, White, S.W.
登録日2020-11-05
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献The crystal structure of the I38T mutant PA endonuclease (2009/H1N1/California) in complex with SJ000988558
To Be Published
7AS0
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BU of 7as0 by Molmil
Influenza A PB2 in complex with VX-787
分子名称: (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, BROMIDE ION, Polymerase basic protein 2
著者Radilova, K, Brynda, J.
登録日2020-10-26
公開日2021-02-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural and Thermodynamic Analysis of the Resistance Development to Pimodivir (VX-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase.
Molecules, 26, 2021
7AS1
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BU of 7as1 by Molmil
Influenza A PB2 (F404Y mutation) in complex with VX-787
分子名称: (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, CHLORIDE ION, Polymerase basic protein 2
著者Radilova, K, Brynda, J.
登録日2020-10-26
公開日2021-02-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and Thermodynamic Analysis of the Resistance Development to Pimodivir (VX-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase.
Molecules, 26, 2021
7AS2
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BU of 7as2 by Molmil
Influenza A PB2 (M431 mutation) in complex with VX-787
分子名称: (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2
著者Radilova, K, Brynda, J.
登録日2020-10-26
公開日2021-02-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and Thermodynamic Analysis of the Resistance Development to Pimodivir (VX-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase.
Molecules, 26, 2021
7AS3
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BU of 7as3 by Molmil
Influenza A PB2 (H357N mutation) in complex with VX-787
分子名称: (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2
著者Radilova, K, Brynda, J.
登録日2020-10-26
公開日2021-02-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural and Thermodynamic Analysis of the Resistance Development to Pimodivir (VX-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase.
Molecules, 26, 2021

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