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6KVQ
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BU of 6kvq by Molmil
S. aureus FtsZ in complex with BOFP (compound 3)
分子名称: CALCIUM ION, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ...
著者Ferrer-Gonzalez, E, Fujita, J, Yoshizawa, T, Nelson, J.M, Pilch, A.J, Hillman, E, Ozawa, M, Kuroda, N, Parhi, A.K, LaVoie, E.J, Matsumura, H, Pilch, D.S.
登録日2019-09-05
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Guided Design of a Fluorescent Probe for the Visualization of FtsZ in Clinically Important Gram-Positive and Gram-Negative Bacterial Pathogens.
Sci Rep, 9, 2019
6KVP
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BU of 6kvp by Molmil
S. aureus FtsZ in complex with 3-(1-(5-bromo-4-(4-(trifluoromethyl)phenyl)oxazol-2-yl)ethoxy)-2,6-difluorobenzamide (compound 2)
分子名称: 3-[(1R)-1-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]-2,6-bis(fluoranyl)benzamide, CALCIUM ION, Cell division protein FtsZ, ...
著者Ferrer-Gonzalez, E, Fujita, J, Yoshizawa, T, Nelson, J.M, Pilch, A.J, Hillman, E, Ozawa, M, Kuroda, N, Parhi, A.K, LaVoie, E.J, Matsumura, H, Pilch, D.S.
登録日2019-09-05
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-Guided Design of a Fluorescent Probe for the Visualization of FtsZ in Clinically Important Gram-Positive and Gram-Negative Bacterial Pathogens.
Sci Rep, 9, 2019
8HTB
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BU of 8htb by Molmil
Staphylococcus aureus FtsZ 12-316 complexed with TXH9179
分子名称: 3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-bis(fluoranyl)benzamide, CALCIUM ION, Cell division protein FtsZ, ...
著者Bryan, E, Ferrer-Gonzalez, E, Sagong, H.Y, Fujita, J, Mark, L, Kaul, M, LaVoie, E.J, Matsumura, H, Pilch, D.S.
登録日2022-12-21
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural and Antibacterial Characterization of a New Benzamide FtsZ Inhibitor with Superior Bactericidal Activity and In Vivo Efficacy Against Multidrug-Resistant Staphylococcus aureus.
Acs Chem.Biol., 18, 2023
5XDU
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BU of 5xdu by Molmil
Staphylococcus aureus FtsZ 12-316 complexed with TXA6101
分子名称: 3-[[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methoxy]-2,6-bis(fluoranyl)benzamide, CALCIUM ION, Cell division protein FtsZ, ...
著者Fujita, J, Maeda, Y, Mizohata, E, Inoue, T, Kaul, M, Parhi, A.K, LaVoie, E.J, Pilch, D.S, Matsumura, H.
登録日2017-03-30
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Flexibility of an Inhibitor Overcomes Drug Resistance Mutations in Staphylococcus aureus FtsZ
ACS Chem. Biol., 12, 2017
5XDV
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BU of 5xdv by Molmil
Staphylococcus aureus FtsZ 12-316 G196S complexed with TXA6101
分子名称: 3-[[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methoxy]-2,6-bis(fluoranyl)benzamide, CALCIUM ION, Cell division protein FtsZ, ...
著者Fujita, J, Maeda, Y, Mizohata, E, Inoue, T, Kaul, M, Parhi, A.K, LaVoie, E.J, Pilch, D.S, Matsumura, H.
登録日2017-03-30
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Flexibility of an Inhibitor Overcomes Drug Resistance Mutations in Staphylococcus aureus FtsZ
ACS Chem. Biol., 12, 2017
5XDT
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BU of 5xdt by Molmil
Staphylococcus aureus FtsZ 12-316 complexed with TXA707
分子名称: 1-methylpyrrolidin-2-one, 2,6-bis(fluoranyl)-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide, CALCIUM ION, ...
著者Fujita, J, Maeda, Y, Mizohata, E, Inoue, T, Kaul, M, Parhi, A.K, LaVoie, E.J, Pilch, D.S, Matsumura, H.
登録日2017-03-30
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural Flexibility of an Inhibitor Overcomes Drug Resistance Mutations in Staphylococcus aureus FtsZ
ACS Chem. Biol., 12, 2017
5XDW
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BU of 5xdw by Molmil
Staphylococcus aureus FtsZ 12-316 G196S
分子名称: CALCIUM ION, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE
著者Fujita, J, Maeda, Y, Mizohata, E, Inoue, T, Kaul, M, Parhi, A.K, LaVoie, E.J, Pilch, D.S, Matsumura, H.
登録日2017-03-30
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Flexibility of an Inhibitor Overcomes Drug Resistance Mutations in Staphylococcus aureus FtsZ
ACS Chem. Biol., 12, 2017
4W9S
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BU of 4w9s by Molmil
2-(4-(1H-tetrazol-5-yl)phenyl)-5-hydroxypyrimidin-4(3H)-one bound to influenza 2009 H1N1 endonuclease
分子名称: 5-hydroxy-2-[4-(1H-tetrazol-5-yl)phenyl]pyrimidin-4(3H)-one, MANGANESE (II) ION, Polymerase acidic protein, ...
著者Bauman, J.D, Patel, D, Das, K, Arnold, E.
登録日2014-08-27
公開日2014-10-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Phenyl Substituted 4-Hydroxypyridazin-3(2H)-ones and 5-Hydroxypyrimidin-4(3H)-ones: Inhibitors of Influenza A Endonuclease.
J.Med.Chem., 57, 2014
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
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
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
4M5U
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BU of 4m5u by Molmil
5-(4-FLUOROPHENYL)-3-HYDROXY-6-[4-(1H-1,2,3,4-TETRAZOL-5-YL)PHENYL]-1,2-DIHYDROPYRIDIN-2-ONE bound to influenza 2009 pH1N1 endonuclease
分子名称: 5-(4-fluorophenyl)-3-hydroxy-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one, 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2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Phenyl substituted 3-hydroxypyridin-2(1H)-ones: inhibitors of influenza A endonuclease.
Bioorg.Med.Chem., 21, 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
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
4KIL
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BU of 4kil by Molmil
7-(4-fluorophenyl)-3-hydroxyquinolin-2(1H)-one bound to influenza 2009 H1N1 endonuclease
分子名称: 1,2-ETHANEDIOL, 7-(4-fluorophenyl)-3-hydroxyquinolin-2(1H)-one, MANGANESE (II) ION, ...
著者Bauman, J.D, Patel, D, Das, K, Arnold, E.
登録日2013-05-02
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献3-Hydroxyquinolin-2(1H)-ones As Inhibitors of Influenza A Endonuclease.
ACS Med Chem Lett, 4, 2013
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
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
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
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

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