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5NGR
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BU of 5ngr by Molmil
Crystal structure of human MTH1 in complex with fragment inhibitor 8-(methylsulfanyl)-7H-purin-6-amine
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, 8-methylsulfanyl-7~{H}-purin-6-amine, SULFATE ION
Authors:Gustafsson, R, Rudling, A, Almlof, I, Homan, E, Scobie, M, Warpman Berglund, U, Helleday, T, Carlsson, J, Stenmark, P.
Deposit date:2017-03-20
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space.
J. Med. Chem., 60, 2017
5NGS
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BU of 5ngs by Molmil
Crystal structure of human MTH1 in complex with inhibitor 6-[(2-phenylethyl)sulfanyl]-7H-purin-2-amine
Descriptor: 6-(2-phenylethylsulfanyl)-7~{H}-purin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ...
Authors:Gustafsson, R, Rudling, A, Almlof, I, Homan, E, Scobie, M, Warpman Berglund, U, Helleday, T, Carlsson, J, Stenmark, P.
Deposit date:2017-03-20
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space.
J. Med. Chem., 60, 2017
5NGT
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BU of 5ngt by Molmil
Crystal structure of human MTH1 in complex with inhibitor 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine, SULFATE ION
Authors:Gustafsson, R, Rudling, A, Almlof, I, Homan, E, Scobie, M, Warpman Berglund, U, Helleday, T, Carlsson, J, Stenmark, P.
Deposit date:2017-03-20
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space.
J. Med. Chem., 60, 2017
5OC0
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BU of 5oc0 by Molmil
Structure of E. coli superoxide oxidase
Descriptor: Cytochrome b561, GLYCEROL, MAGNESIUM ION, ...
Authors:Lundgren, C.A.K, Sjostrand, D, Biner, O, Bennett, M, von Ballmoos, C, Hogbom, M.
Deposit date:2017-06-29
Release date:2018-06-20
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Scavenging of superoxide by a membrane-bound superoxide oxidase.
Nat. Chem. Biol., 14, 2018

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