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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
6YKG
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BU of 6ykg by Molmil
Structure-based exploration of selectivity for ATM inhibitors in Huntingtons disease
Descriptor: 4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one, Phosphatidylinositol 3-kinase catalytic subunit type 3
Authors:Van de Poel, A, Leonard, P.M, Lamers, M.B.A.C.
Deposit date:2020-04-06
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structure-Based Exploration of Selectivity for ATM Inhibitors in Huntington's Disease.
J.Med.Chem., 64, 2021
6I3U
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BU of 6i3u by Molmil
Optimization of potent and selective ATM inhibitors suitable for a proof-of-concept study in Huntington's disease models
Descriptor: 2-morpholin-4-yl-6-[7-[(2~{R})-1-morpholin-4-ylpropan-2-yl]oxy-9~{H}-thioxanthen-4-yl]pyran-4-one, Phosphatidylinositol 3-kinase catalytic subunit type 3
Authors:Leonard, P.M.
Deposit date:2018-11-07
Release date:2019-03-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Optimization of Potent and Selective Ataxia Telangiectasia-Mutated Inhibitors Suitable for a Proof-of-Concept Study in Huntington's Disease Models.
J.Med.Chem., 62, 2019
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
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

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