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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
Descriptor: BETA-1,3-N-ACETYLGLUCOSAMINYLTRANSFERASE MANIC FRINGE, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Jinek, M, Chen, Y.-W, Clausen, H, Cohen, S.M, Conti, E.
Deposit date:2006-08-01
Release date:2006-09-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Insights Into the Notch-Modifying Glycosyltransferase Fringe
Nat.Struct.Mol.Biol., 13, 2006
6DCZ
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BU of 6dcz by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-4-oxo-4H-pyran-2-carboxylic acid
Descriptor: 3-hydroxy-4-oxo-4H-pyran-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
Authors:Dick, B.L, Morrison, C.N, Cohen, S.M.
Deposit date:2018-05-08
Release date:2018-11-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease.
J. Med. Chem., 61, 2018
6DCY
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BU of 6dcy by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 5-hydroxy-2-methyl-4-oxo-4H-pyran-3-carboxylic acid
Descriptor: 5-hydroxy-2-methyl-4-oxo-4H-pyran-3-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
Authors:Dick, B.L, Morrison, C.N, Cohen, S.M.
Deposit date:2018-05-08
Release date:2018-11-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease.
J. Med. Chem., 61, 2018
8T5Z
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BU of 8t5z by Molmil
Influenza PA-N Endonuclease (amino acids 52-74 truncation)
Descriptor: MANGANESE (II) ION, Polymerase acidic protein
Authors:Kohlbrand, A.J, Cohen, S.M.
Deposit date:2023-06-14
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.03 Å)
Cite: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)
Descriptor: MANGANESE (II) ION, Polymerase acidic protein
Authors:Kohlbrand, A.J, Cohen, S.M.
Deposit date:2023-06-15
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.08 Å)
Cite: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
Descriptor: Baloxavir acid, MANGANESE (II) ION, Polymerase acidic protein
Authors:Kohlbrand, A.J, Cohen, S.M.
Deposit date:2023-06-14
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
8T5V
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BU of 8t5v by Molmil
Influenza PA-N Endonuclease A36V mutant with Baloxavir
Descriptor: Baloxavir acid, MANGANESE (II) ION, Polymerase acidic protein
Authors:Kohlbrand, A.J, Cohen, S.M.
Deposit date:2023-06-14
Release date:2024-08-28
Method:X-RAY DIFFRACTION (1.79 Å)
Cite: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
Descriptor: (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
Authors:Kohlbrand, A.J, Cohen, S.M.
Deposit date:2023-06-23
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.11 Å)
Cite: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
Descriptor: (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
Authors:Kohlbrand, A.J, Cohen, S.M.
Deposit date:2023-06-19
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.91 Å)
Cite: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
Descriptor: (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
Authors:Kohlbrand, A.J, Cohen, S.M.
Deposit date:2023-06-21
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
6E0Q
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BU of 6e0q by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid
Descriptor: 1,2-ETHANEDIOL, 4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid, MANGANESE (II) ION, ...
Authors:Dick, B.L, Morrison, C.N, Cohen, S.M.
Deposit date:2018-07-06
Release date:2018-11-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease.
J. Med. Chem., 61, 2018
6DZQ
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BU of 6dzq by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
Descriptor: 1,2-ETHANEDIOL, 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid, MANGANESE (II) ION, ...
Authors:Dick, B.L, Morrison, C.N, Cohen, S.M.
Deposit date:2018-07-05
Release date:2018-11-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease.
J. Med. Chem., 61, 2018
6E3M
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BU of 6e3m by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
Descriptor: 1,2-ETHANEDIOL, 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, ...
Authors:Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M.
Deposit date:2018-07-14
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
6E3N
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BU of 6e3n by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-4-oxo-6-(o-tolyl)-1,4-dihydropyridine-2-carboxylic acid
Descriptor: 3-hydroxy-6-(2-methylphenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
Authors:Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M.
Deposit date:2018-07-14
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
6E3O
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BU of 6e3o by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
Descriptor: 6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
Authors:Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M.
Deposit date:2018-07-14
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
6E3P
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BU of 6e3p by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 6-(3-(1H-tetrazol-5-yl)phenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
Descriptor: 3-hydroxy-4-oxo-6-[3-(1H-tetrazol-5-yl)phenyl]-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
Authors:Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M.
Deposit date:2018-07-14
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
6E4C
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BU of 6e4c by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-(2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid
Descriptor: 1,2-ETHANEDIOL, 3-hydroxy-6-[2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, ...
Authors:Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M.
Deposit date:2018-07-17
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
6E6V
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BU of 6e6v by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid
Descriptor: 1,2-ETHANEDIOL, 3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, ...
Authors:Dick, B.L, Morrison, C.N, Credille, C.V, Cohen, S.M.
Deposit date:2018-07-25
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
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
Descriptor: 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
Authors:Silverman, A.P, Bu, W, Cohen, S.M, Lippard, S.J.
Deposit date:2002-05-21
Release date:2002-12-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
3HRT
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BU of 3hrt by Molmil
Crystal Structure of ScaR with bound Cd2+
Descriptor: CADMIUM ION, Metalloregulator ScaR, SULFATE ION
Authors: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.
Deposit date:2009-06-09
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: Metalloregulator ScaR, SULFATE ION
Authors: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.
Deposit date:2009-06-09
Release date:2009-06-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Characterization and structure of the manganese-responsive transcriptional regulator ScaR.
Biochemistry, 48, 2009
2J0A
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BU of 2j0a by Molmil
Structure of the catalytic domain of mouse Manic Fringe
Descriptor: BETA-1,3-N-ACETYLGLUCOSAMINYLTRANSFERASE MANIC FRINGE, POTASSIUM ION, SULFATE ION
Authors:Jinek, M, Chen, Y.-W, Clausen, H, Cohen, S.M, Conti, E.
Deposit date:2006-08-01
Release date:2006-09-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Insights Into the Notch-Modifying Glycosyltransferase Fringe
Nat.Struct.Mol.Biol., 13, 2006
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
Descriptor: 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide, MANGANESE (II) ION, Polymerase acidic protein
Authors:Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
Deposit date:2022-05-09
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
3HRU
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BU of 3hru by Molmil
Crystal Structure of ScaR with bound Zn2+
Descriptor: Metalloregulator ScaR, SULFATE ION, ZINC ION
Authors: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.
Deposit date:2009-06-09
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Characterization and structure of the manganese-responsive transcriptional regulator ScaR.
Biochemistry, 48, 2009
4MLX
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BU of 4mlx by Molmil
Structure of a bidentate 3-hydroxy-4H-pyran-4-thione ligand bound to hCAII
Descriptor: 5-hydroxy-2-methyl-4H-pyran-4-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Martin, D.P, Cohen, S.M.
Deposit date:2013-09-06
Release date:2014-07-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:'Unconventional' coordination chemistry by metal chelating fragments in a metalloprotein active site.
J.Am.Chem.Soc., 136, 2014

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