Author results

6CM2
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SAMHD1 HD DOMAIN BOUND TO DECITABINE TRIPHOSPHATE
Descriptor:Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, 6-amino-3-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1H)-one, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Oellerich, T., Schneider, C., Thomas, D., Knecht, K.M., Buzovetsky, O., Kaderali, L., Schliemann, C., Bohnenberger, H., Angenendt, L., Hartmann, W., Wardelmann, E., Rothenburger, T., Mohr, S., Scheich, S., Comoglio, F., Wilke, A., Strobel, P., Serve, H., Michaelis, M., Ferreiros, N., Geisslinger, G., Xiong, Y., Keppler, O.T., Cinatl, J.
Deposit date:2018-03-02
Release date:2019-06-19
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Selective inactivation of hypomethylating agents by SAMHD1 provides a rationale for therapeutic stratification in AML.
Nat Commun, 10, 2019
6DW3
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SAMHD1 BOUND TO CYTARABINE-TP IN THE CATALYTIC POCKET
Descriptor:Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, 4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, ...
Authors:Knecht, K.M., Buzovetsky, O., Schneider, C., Thomas, D., Srikanth, V., Kaderali, L., Tofoleanu, F., Reiss, K., Ferreiros, N., Geisslinger, G., Batista, V.S., Ji, X., Cinatl, J., Keppler, O.T., Xiong, Y.
Deposit date:2018-06-26
Release date:2018-10-10
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DW4
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SAMHD1 BOUND TO CLADRIBINE-TP IN THE CATALYTIC POCKET AND ALLOSTERIC POCKET
Descriptor:Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, 2'-deoxy-2-methyladenosine 5'-(tetrahydrogen triphosphate), GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Knecht, K.M., Buzovetsky, O., Schneider, C., Thomas, D., Srikanth, V., Kaderali, L., Tofoleanu, F., Reiss, K., Ferreiros, N., Geisslinger, G., Batista, V.S., Ji, X., Cinatl, J., Keppler, O.T., Xiong, Y.
Deposit date:2018-06-26
Release date:2018-10-10
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DW5
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SAMHD1 BOUND TO GEMCITABINE-TP IN THE CATALYTIC POCKET
Descriptor:Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Knecht, K.M., Buzovetsky, O., Schneider, C., Thomas, D., Srikanth, V., Kaderali, L., Tofoleanu, F., Reiss, K., Ferreiros, N., Geisslinger, G., Batista, V.S., Ji, X., Cinatl, J., Keppler, O.T., Xiong, Y.
Deposit date:2018-06-26
Release date:2018-10-10
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DW7
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SAMHD1 WITHOUT CATALYTIC NUCLEOTIDES
Descriptor:Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Knecht, K.M., Buzovetsky, O., Schneider, C., Thomas, D., Srikanth, V., Kaderali, L., Tofoleanu, F., Reiss, K., Ferreiros, N., Geisslinger, G., Batista, V.S., Ji, X., Cinatl, J., Keppler, O.T., Xiong, Y.
Deposit date:2018-06-26
Release date:2018-10-10
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DWD
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SAMHD1 BOUND TO CLOFARABINE-TP IN THE CATALYTIC POCKET AND ALLOSTERIC POCKET
Descriptor:Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, 9-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-2-methyl-9H-purin-6-amine, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Knecht, K.M., Buzovetsky, O., Schneider, C., Thomas, D., Srikanth, V., Kaderali, L., Tofoleanu, F., Reiss, K., Ferreiros, N., Geisslinger, G., Batista, V.S., Ji, X., Cinatl, J., Keppler, O.T., Xiong, Y.
Deposit date:2018-06-26
Release date:2018-10-10
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DWJ
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SAMHD1 BOUND TO VIDARABINE-TP IN THE CATALYTIC POCKET
Descriptor:Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, 9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Knecht, K.M., Buzovetsky, O., Schneider, C., Thomas, D., Srikanth, V., Kaderali, L., Tofoleanu, F., Reiss, K., Ferreiros, N., Geisslinger, G., Batista, V.S., Ji, X., Cinatl, J., Keppler, O.T., Xiong, Y.
Deposit date:2018-06-26
Release date:2018-10-24
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DWK
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SAMHD1 BOUND TO FLUDARABINE-TP IN THE CATALYTIC POCKET
Descriptor:Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, 2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Knecht, K.M., Buzovetsky, O., Schneider, C., Thomas, D., Srikanth, V., Kaderali, L., Tofoleanu, F., Reiss, K., Ferreiros, N., Geisslinger, G., Batista, V.S., Ji, X., Cinatl, J., Keppler, O.T., Xiong, Y.
Deposit date:2018-06-26
Release date:2018-10-10
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4XWY
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CRYSTAL STRUCTURE OF HUMAN SEPIAPTERIN REDUCTASE IN COMPLEX WITH AN N-ACETYLSEROTININ ANALOGUE
Descriptor:Sepiapterin reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, N-[2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl]-2-methoxyacetamide, ...
Authors:Johnsson, K., Hovius, R., Gorszka, K.I., Pojer, F.
Deposit date:2015-01-29
Release date:2015-07-01
Last modified:2015-11-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Reduction of Neuropathic and Inflammatory Pain through Inhibition of the Tetrahydrobiopterin Pathway.
Neuron, 86, 2015