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6WKS
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BU of 6wks by Molmil
Structure of SARS-CoV-2 nsp16/nsp10 in complex with RNA cap analogue (m7GpppA) and S-adenosylmethionine
分子名称: 1,2-ETHANEDIOL, 2'-O-methyltransferase, ADENOSINE, ...
著者Gupta, Y.K, Viswanathan, T, Arya, S, Qi, S, Misra, A, Chan, S.-H.
登録日2020-04-16
公開日2020-05-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of RNA cap modification by SARS-CoV-2.
Nat Commun, 11, 2020
6NEM
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BU of 6nem by Molmil
3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one bound to influenza 2009 pH1N1 endonuclease
分子名称: 3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one, MANGANESE (II) ION, Polymerase acidic protein, ...
著者Bauman, J.D, Arnold, E.
登録日2018-12-17
公開日2019-05-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Aryl and Arylalkyl Substituted 3-Hydroxypyridin-2(1H)-ones: Synthesis and Evaluation as Inhibitors of Influenza A Endonuclease.
Chemmedchem, 14, 2019
6NEL
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BU of 6nel by Molmil
4-(2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzoic acid bound to influenza 2009 pH1N1 endonuclease
分子名称: 4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid, MAGNESIUM ION, MANGANESE (II) ION, ...
著者Bauman, J.D, Arnold, E.
登録日2018-12-17
公開日2019-05-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Aryl and Arylalkyl Substituted 3-Hydroxypyridin-2(1H)-ones: Synthesis and Evaluation as Inhibitors of Influenza A Endonuclease.
Chemmedchem, 14, 2019
8FAX
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BU of 8fax by Molmil
Fab 1249A8-MERS Stem Helix Complex
分子名称: 1249A8-HC, 1249A8-LC, CHLORIDE ION, ...
著者Deshpande, A, Schormann, N, Piepenbrink, M.S, Martinez-Sobrido, L, Kobie, J.J, Walter, M.R.
登録日2022-11-28
公開日2023-05-03
最終更新日2023-07-19
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and epitope of a neutralizing monoclonal antibody that targets the stem helix of beta coronaviruses.
Febs J., 290, 2023
7LW3
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BU of 7lw3 by Molmil
Structure of SARS-CoV-2 nsp16/nsp10 complex in presence of Cap-1 analog (m7GpppAmU) and SAH
分子名称: 1,2-ETHANEDIOL, 2'-O-methyltransferase, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Gupta, Y.K, Viswanathan, T, Misra, A, Qi, S.
登録日2021-02-27
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A metal ion orients SARS-CoV-2 mRNA to ensure accurate 2'-O methylation of its first nucleotide.
Nat Commun, 12, 2021
7LW4
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BU of 7lw4 by Molmil
Structure of SARS-CoV-2 nsp16/nsp10 complex in presence of S-adenosyl-L-homocysteine (SAH)
分子名称: 1,2-ETHANEDIOL, 2'-O-methyltransferase, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Gupta, Y.K, Viswanathan, T, Misra, A, Qi, S.
登録日2021-02-27
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A metal ion orients SARS-CoV-2 mRNA to ensure accurate 2'-O methylation of its first nucleotide.
Nat Commun, 12, 2021
4LN7
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BU of 4ln7 by Molmil
5,6-bis(4-fluorophenyl)-3-hydroxy-2,5-dihydropyridin-2-one bound to influenza 2009 pH1N1 endonuclease
分子名称: 1,2-ETHANEDIOL, 5,6-bis(4-fluorophenyl)pyridine-2,3-diol, MAGNESIUM ION, ...
著者Bauman, J.D, Patel, D, Das, K, Arnold, E.
登録日2013-07-11
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
4M4Q
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BU of 4m4q by Molmil
6-(4-fluorophenyl)-3-hydroxy-5-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl] -1,2-dihydropyridin-2-one bound to influenza 2009 H1N1 endonuclease
分子名称: 6-(4-fluorophenyl)-5-[4-(1H-tetrazol-5-yl)phenyl]pyridine-2,3-diol, MAGNESIUM ION, MANGANESE (II) ION, ...
著者Bauman, J.D, Patel, D, Das, K, Arnold, E.
登録日2013-08-07
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
4M5Q
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BU of 4m5q by Molmil
High-resolution apo influenza 2009 H1N1 endonuclease structure
分子名称: 1,2-ETHANEDIOL, MANGANESE (II) ION, Polymerase PA
著者Bauman, J.D, Patel, D, Das, K, Arnold, E.
登録日2013-08-08
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.534 Å)
主引用文献Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
4M5V
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BU of 4m5v by Molmil
Influenza 2009 H1N1 endonuclease with 100 millimolar calcium
分子名称: CALCIUM ION, Polymerase PA, SULFATE ION
著者Bauman, J.D, Patel, D, Das, K, Arnold, E.
登録日2013-08-08
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
4M5R
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BU of 4m5r by Molmil
High-resolution influenza 2009 H1N1 endonuclease bound to 4-(1H-IMIDAZOL-1-YL)PHENOL
分子名称: 1,2-ETHANEDIOL, 4-(1H-IMIDAZOL-1-YL)PHENOL, MANGANESE (II) ION, ...
著者Bauman, J.D, Patel, D, Das, K, Arnold, E.
登録日2013-08-08
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
4M5O
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BU of 4m5o by Molmil
3-HYDROXY-6-PHENYL-1,2-DIHYDROPYRIDIN-2-ONE bound to influenza 2009 H1N1 endonuclease
分子名称: 1,2-ETHANEDIOL, 3-hydroxy-6-phenylpyridin-2(5H)-one, MANGANESE (II) ION, ...
著者Bauman, J.D, Patel, D, Das, K, Arnold, E.
登録日2013-08-08
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
4MK1
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BU of 4mk1 by Molmil
5-bromopyridine-2,3-diol bound to influenza 2009 pH1N1 endonuclease
分子名称: 1,2-ETHANEDIOL, 5-bromo-3-hydroxypyridin-2(1H)-one, MANGANESE (II) ION, ...
著者Bauman, J.D, Patel, D, Das, K, Arnold, E.
登録日2013-09-04
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
4MK5
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BU of 4mk5 by Molmil
6-(3-methoxyphenyl)pyridine-2,3-diol bound to influenza 2009 pH1N1 endonuclease
分子名称: 1,2-ETHANEDIOL, 3-hydroxy-6-(3-methoxyphenyl)pyridin-2(5H)-one, MANGANESE (II) ION, ...
著者Bauman, J.D, Patel, D, Das, K, Arnold, E.
登録日2013-09-04
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
4MK2
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BU of 4mk2 by Molmil
3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile bound to influenza 2009 pH1N1 endonuclease
分子名称: 1,2-ETHANEDIOL, 3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile, MANGANESE (II) ION, ...
著者Bauman, J.D, Patel, D, Das, K, Arnold, E.
登録日2013-09-04
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013

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