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8DDB
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BU of 8ddb by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-3-hydroxypicolinic acid
分子名称: 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, ACETATE ION, MANGANESE (II) ION, ...
著者Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
登録日2022-06-17
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8DJY
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BU of 8djy by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-Bromo-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxypyridin-4(1H)-one
分子名称: (2M)-6-bromo-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxypyridin-4(1H)-one, MANGANESE (II) ION, Polymerase acidic protein
著者Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
登録日2022-07-01
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8DDE
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BU of 8dde by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-2-(1H-tetrazol-5-yl) yridine-3-ol
分子名称: (2M)-6-bromo-3-hydroxy-2-(1H-tetrazol-5-yl)pyridin-4(1H)-one, MANGANESE (II) ION, Polymerase acidic protein
著者Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
登録日2022-06-17
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8DHN
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BU of 8dhn by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-Bromo-3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-4(1H)-one
分子名称: (2P)-6-bromo-3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-4(1H)-one, MANGANESE (II) ION, PA endonuclease
著者Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
登録日2022-06-27
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8CTF
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BU of 8ctf by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
分子名称: 3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, ACETATE ION, MANGANESE (II) ION, ...
著者Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
登録日2022-05-14
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8DJV
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BU of 8djv by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-Bromo-3-hydroxy-N-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide
分子名称: 6-bromo-3-hydroxy-N-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide, MANGANESE (II) ION, Polymerase acidic protein
著者Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
登録日2022-07-01
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8T5Z
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BU of 8t5z by Molmil
Influenza PA-N Endonuclease (amino acids 52-74 truncation)
分子名称: MANGANESE (II) ION, Polymerase acidic protein
著者Kohlbrand, A.J, Cohen, S.M.
登録日2023-06-14
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
8T94
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BU of 8t94 by Molmil
Influenza PAN endonuclease with 6-(4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
分子名称: (6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
著者Kohlbrand, A.J, Cohen, S.M.
登録日2023-06-23
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
8T67
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BU of 8t67 by Molmil
Influenza PA-N Endonuclease I38T Mutant (amino acids 52-74 truncation)
分子名称: MANGANESE (II) ION, Polymerase acidic protein
著者Kohlbrand, A.J, Cohen, S.M.
登録日2023-06-15
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
8T6Z
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BU of 8t6z by Molmil
Influenza PAN endonuclease I38T mutant with 6-(4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
分子名称: (6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
著者Kohlbrand, A.J, Cohen, S.M.
登録日2023-06-19
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
8T81
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BU of 8t81 by Molmil
Influenza PAN endonuclease E23K mutant with 6-(4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
分子名称: (6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
著者Kohlbrand, A.J, Cohen, S.M.
登録日2023-06-21
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
8T5W
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BU of 8t5w by Molmil
Influenza PAN endonuclease I38T mutant with Baloxavir
分子名称: Baloxavir acid, MANGANESE (II) ION, Polymerase acidic protein
著者Kohlbrand, A.J, Cohen, S.M.
登録日2023-06-14
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
1LU5
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BU of 1lu5 by Molmil
2.4 Angstrom Crystal Structure of the Asymmetric Platinum Complex {Pt(ammine)(cyclohexylamine)}2+ Bound to a Dodecamer DNA Duplex
分子名称: 5'-D(*CP*CP*TP*CP*TP*GP*GP*TP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*AP*CP*CP*AP*GP*AP*GP*G)-3', CIS-(AMMINE)(CYCLOHEXYLAMINE)PLATINUM(II) COMPLEX
著者Silverman, A.P, Bu, W, Cohen, S.M, Lippard, S.J.
登録日2002-05-21
公開日2002-12-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献2.4-A Crystal Structure of the Asymmetric Platinum Complex {Pt(ammine)(cyclohexylamine)}2+ Bound to a Dodecamer DNA Duplex
J.Biol.Chem., 277, 2002
7V04
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BU of 7v04 by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide
分子名称: 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide, MANGANESE (II) ION, Polymerase acidic protein
著者Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
登録日2022-05-09
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
2J0A
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BU of 2j0a by Molmil
Structure of the catalytic domain of mouse Manic Fringe
分子名称: BETA-1,3-N-ACETYLGLUCOSAMINYLTRANSFERASE MANIC FRINGE, POTASSIUM ION, SULFATE ION
著者Jinek, M, Chen, Y.-W, Clausen, H, Cohen, S.M, Conti, E.
登録日2006-08-01
公開日2006-09-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Insights Into the Notch-Modifying Glycosyltransferase Fringe
Nat.Struct.Mol.Biol., 13, 2006
2J0B
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BU of 2j0b by Molmil
Structure of the catalytic domain of mouse Manic Fringe in complex with UDP and manganese
分子名称: BETA-1,3-N-ACETYLGLUCOSAMINYLTRANSFERASE MANIC FRINGE, MANGANESE (II) ION, POTASSIUM ION, ...
著者Jinek, M, Chen, Y.-W, Clausen, H, Cohen, S.M, Conti, E.
登録日2006-08-01
公開日2006-09-04
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Insights Into the Notch-Modifying Glycosyltransferase Fringe
Nat.Struct.Mol.Biol., 13, 2006
3HRT
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BU of 3hrt by Molmil
Crystal Structure of ScaR with bound Cd2+
分子名称: CADMIUM ION, Metalloregulator ScaR, SULFATE ION
著者Stoll, K.E, Draper, W.E, Kliegman, J.I, Golynskiy, M.V, Brew-Appiah, R.A.T, Brown, H.K, Breyer, W.A, Jakubovics, N.S, Jenkinson, H.F, Brennan, R.B, Cohen, S.M, Glasfeld, A.
登録日2009-06-09
公開日2009-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Characterization and structure of the manganese-responsive transcriptional regulator ScaR.
Biochemistry, 48, 2009
3HRS
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BU of 3hrs by Molmil
Crystal Structure of the Manganese-activated Repressor ScaR: apo form
分子名称: Metalloregulator ScaR, SULFATE ION
著者Stoll, K.E, Draper, W.E, Kliegman, J.I, Golynskiy, M.V, Brew-Appiah, R.A.T, Brown, H.K, Breyer, W.A, Jakubovics, N.S, Jenkinson, H.F, Brennan, R.B, Cohen, S.M, Glasfeld, A.
登録日2009-06-09
公開日2009-06-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Characterization and structure of the manganese-responsive transcriptional regulator ScaR.
Biochemistry, 48, 2009
3HRU
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BU of 3hru by Molmil
Crystal Structure of ScaR with bound Zn2+
分子名称: Metalloregulator ScaR, SULFATE ION, ZINC ION
著者Stoll, K.E, Draper, W.E, Kliegman, J.I, Golynskiy, M.V, Brew-Appiah, R.A.T, Brown, H.K, Breyer, W.A, Jakubovics, N.S, Jenkinson, H.F, Brennan, R.B, Cohen, S.M, Glasfeld, A.
登録日2009-06-09
公開日2009-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Characterization and structure of the manganese-responsive transcriptional regulator ScaR.
Biochemistry, 48, 2009
4Q90
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BU of 4q90 by Molmil
Crystal structure of 4-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II
分子名称: 4-methylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-04-28
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
4Q7P
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BU of 4q7p by Molmil
Crystal Structure of 1-hydroxy-3-methylpyridine-2(1H)-thione bound to hCAII
分子名称: 1-hydroxy-3-methylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-04-25
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
4Q87
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BU of 4q87 by Molmil
Crystal structure of 1-hydroxy-4-(trifluoromethyl)pyridine-2(1H)-thione bound to human carbonic anhydrase II
分子名称: 1-hydroxy-4-(trifluoromethyl)pyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-04-25
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
4Q8Y
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BU of 4q8y by Molmil
Crystal structure of 2-hydroxyisoquinoline-1(2H)-thione bound to human carbonic anhydrase II
分子名称: 2-hydroxyisoquinoline-1(2H)-thione, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-04-28
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
4Q7V
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BU of 4q7v by Molmil
Crystal structure of 1-hydroxy-5-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II
分子名称: 1-hydroxy-5-methylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-04-25
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
4Q83
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BU of 4q83 by Molmil
Crystal structure of 1-hydroxy-3-(trifluoromethyl)pyridine-2(1H)-thione bound to human carbonic anhydrase II
分子名称: 1-hydroxy-3-(trifluoromethyl)pyridine-2(1H)-thione, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Martin, D.P, Cohen, S.M.
登録日2014-04-25
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014

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