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PDB: 11 results

4HLC
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BU of 4hlc by Molmil
Sulfonylpiperidines as Novel, Antibacterial Inhibitors of Gram-Positive Thymidylate Kinase (TMK): Compound 5
Descriptor: 4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]sulfonyl}-2-(3-methylphenoxy)benzoic acid, Thymidylate kinase
Authors:Boriack-Sjodin, A, Olivier, N.
Deposit date:2012-10-16
Release date:2012-10-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Sulfonylpiperidines as novel, antibacterial inhibitors of Gram-positive thymidylate kinase (TMK).
Bioorg.Med.Chem.Lett., 23, 2013
4QGG
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BU of 4qgg by Molmil
TMK in complex with compound 46, 2-(3-CHLOROPHENOXY)-3-FLUORO-4-{(1R)-3-METHYL-1-[(3S)-3-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)PIPERIDIN-1-YL]BUTYL}BENZOIC ACID
Descriptor: 2-(3-chlorophenoxy)-3-fluoro-4-{(1R)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid, Thymidylate kinase
Authors:Olivier, N.B.
Deposit date:2014-05-22
Release date:2014-06-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Antibacterial inhibitors of gram-positive thymidylate kinase: structure-activity relationships and chiral preference of a new hydrophobic binding region.
J.Med.Chem., 57, 2014
4QG7
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BU of 4qg7 by Molmil
S.aureus TMK in complex with a potent inhibitor compound 18, 2-(3-CHLOROPHENOXY)-3-METHOXY-4-{[(3S)-3-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)PIPERIDIN-1-YL]METHYL}BENZOIC ACID
Descriptor: 2-(3-chlorophenoxy)-3-methoxy-4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl}benzoic acid, Thymidylate kinase
Authors:Olivier, N.B.
Deposit date:2014-05-22
Release date:2014-06-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Antibacterial inhibitors of gram-positive thymidylate kinase: structure-activity relationships and chiral preference of a new hydrophobic binding region.
J.Med.Chem., 57, 2014
4GSY
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BU of 4gsy by Molmil
Crystal structure of thymidylate kinase from Staphylococcus aureus bound to inhibitor.
Descriptor: 4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl}-2-[3-(trifluoromethyl)phenoxy]benzoic acid, Thymidylate kinase
Authors:Larsen, N.A, Olivier, N.B.
Deposit date:2012-08-28
Release date:2012-10-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Discovery of Selective and Potent Inhibitors of Gram-Positive Bacterial Thymidylate Kinase (TMK).
J.Med.Chem., 55, 2012
4QGH
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BU of 4qgh by Molmil
S.aureus TMK in complex with potent inhibitor compound 47
Descriptor: 2-(3-chlorophenoxy)-3-fluoro-4-{(1S)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid, Thymidylate kinase
Authors:Olivier, N.B.
Deposit date:2014-05-22
Release date:2014-06-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Antibacterial inhibitors of gram-positive thymidylate kinase: structure-activity relationships and chiral preference of a new hydrophobic binding region.
J.Med.Chem., 57, 2014
4GFD
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BU of 4gfd by Molmil
Thymidylate kinase (TMK) from S. Aureus in complex with TK-666
Descriptor: 2-(3-bromophenoxy)-4-{(1R)-3,3-dimethyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid, Thymidylate kinase
Authors:Olivier, N.B, Martinez-Botella, G, Keating, T.
Deposit date:2012-08-03
Release date:2012-10-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:In Vivo Validation of Thymidylate Kinase (TMK) with a Rationally Designed, Selective Antibacterial Compound.
Acs Chem.Biol., 7, 2012
4QGF
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BU of 4qgf by Molmil
S.aureus TMK in complex with the potent inhibitor compound 38, 2-(3-CHLOROPHENOXY)-3-METHOXY-4-{(1R)-1-[(3S)-3-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)PIPERIDIN-1-YL]PROPYL}BENZOIC ACID
Descriptor: 2-(3-chlorophenoxy)-3-methoxy-4-{(1R)-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]propyl}benzoic acid, Thymidylate kinase
Authors:Olivier, N.B.
Deposit date:2014-05-22
Release date:2014-06-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Antibacterial inhibitors of gram-positive thymidylate kinase: structure-activity relationships and chiral preference of a new hydrophobic binding region.
J.Med.Chem., 57, 2014
4QGA
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BU of 4qga by Molmil
S.aureus TMK in complex with potent inhibitor compound 19, 2-(3-CHLOROPHENOXY)-3-FLUORO-4-{[(3S)-3-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)PIPERIDIN-1-YL]METHYL}BENZOIC ACID
Descriptor: 2-(3-chlorophenoxy)-3-fluoro-4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl}benzoic acid, Thymidylate kinase
Authors:Olivier, N.B.
Deposit date:2014-05-22
Release date:2014-06-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Antibacterial inhibitors of gram-positive thymidylate kinase: structure-activity relationships and chiral preference of a new hydrophobic binding region.
J.Med.Chem., 57, 2014
4HLD
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BU of 4hld by Molmil
Sulfonylpiperidines as Novel, Antibacterial Inhibitors of Gram-Positive Thymidylate Kinase (TMK): Compound 11
Descriptor: 1-[(3S)-1-{[3-(3-chlorophenoxy)-4-hydroxyphenyl]sulfonyl}piperidin-3-yl]-5-methylpyrimidine-2,4(1H,3H)-dione, Thymidylate kinase
Authors:Olivier, N.
Deposit date:2012-10-16
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Sulfonylpiperidines as novel, antibacterial inhibitors of Gram-positive thymidylate kinase (TMK).
Bioorg.Med.Chem.Lett., 23, 2013
4HEJ
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BU of 4hej by Molmil
Discovery of Selective and Potent Inhibitors of Gram-positive Bacterial Thymidylate Kinase (TMK): Compund 16
Descriptor: 5-methyl-1-[(3S)-1-{3-[3-(trifluoromethyl)phenoxy]benzyl}piperidin-3-yl]pyrimidine-2,4(1H,3H)-dione, Thymidylate kinase
Authors:Martinez-Botella, G, Breen, J, Duffy, J, Dumas, J, Geng, B, Gowers, I, Green, O, Guler, S, Hentemann, M, Hernandez-Juan, F, Joseph-McCarthy, D, Kawatkar, S, Larsen, N, Lazari, O, Loch, J, Macritchie, J.
Deposit date:2012-10-03
Release date:2012-10-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Selective and Potent Inhibitors of Gram-Positive Bacterial Thymidylate Kinase (TMK).
J.Med.Chem., 55, 2012
4HDC
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BU of 4hdc by Molmil
Discovery of Selective and Potent Inhibitors of Gram-positive Bacterial Thymidylate Kinase (TMK: Compound 41)
Descriptor: 2-(3-chlorophenoxy)-4-{(1R)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid, Thymidylate kinase
Authors:Olivier, N.B.
Deposit date:2012-10-02
Release date:2012-10-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of Selective and Potent Inhibitors of Gram-Positive Bacterial Thymidylate Kinase (TMK).
J.Med.Chem., 55, 2012

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