Author results

3BHY
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CRYSTAL STRUCTURE OF HUMAN DEATH ASSOCIATED PROTEIN KINASE 3 (DAPK3) IN COMPLEX WITH A BETA-CARBOLINE LIGAND
Descriptor:Death-associated protein kinase 3, CHLORIDE ION, (4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile
Authors:Filippakopoulos, P., Rellos, P., Eswaran, J., Fedorov, O., Berridge, G., Niesen, F., Bracher, F., Huber, K., Pike, A.C.W., Roos, A., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2007-11-29
Release date:2007-12-25
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:7,8-dichloro-1-oxo-beta-carbolines as a versatile scaffold for the development of potent and selective kinase inhibitors with unusual binding modes.
J.Med.Chem., 55, 2012
3CXW
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CRYSTAL STRUCTURE OF HUMAN PROTO-ONCOGENE SERINE THREONINE KINASE (PIM1) IN COMPLEX WITH A CONSENSUS PEPTIDE AND A BETA CARBOLINE LIGAND I
Descriptor:Proto-oncogene serine/threonine-protein kinase Pim-1, Isoform 2, Pimtide peptide, ...
Authors:Filippakopoulos, P., Bullock, A., Fedorov, O., Huber, K., Bracher, F., Pike, A.C.W., Roos, A., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2008-04-25
Release date:2008-07-15
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:7,8-Dichloro-1-oxo-beta-carbolines as a Versatile Scaffold for the Development of Potent and Selective Kinase Inhibitors with Unusual Binding Modes
J.Med.Chem., 55, 2012
3CY2
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CRYSTAL STRUCTURE OF HUMAN PROTO-ONCOGENE SERINE THREONINE KINASE (PIM1) IN COMPLEX WITH A CONSENSUS PEPTIDE AND A BETA CARBOLINE LIGAND II
Descriptor:Proto-oncogene serine/threonine-protein kinase Pim-1, Isoform 2, Pimtide peptide, ...
Authors:Filippakopoulos, P., Bullock, A., Fedorov, O., Huber, K., Bracher, F., Pike, A.C.W., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2008-04-25
Release date:2008-07-15
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:7,8-Dichloro-1-oxo-beta-carbolines as a Versatile Scaffold for the Development of Potent and Selective Kinase Inhibitors with Unusual Binding Modes
J.Med.Chem., 55, 2012
5LF8
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HUMAN NUCLEOSIDE DIPHOSPHATE-LINKED MOIETY X MOTIF 17 (NUDT17)
Descriptor:Nucleoside diphosphate-linked moiety X motif 17, PHOSPHATE ION, ETHYL MERCURY ION
Authors:Mathea, S., Tallant, C., Salah, E., Wang, D., Velupillai, S., Nowak, R., Oerum, S., Krojer, T., Burgess-Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Huber, K., Structural Genomics Consortium (SGC)
Deposit date:2016-06-30
Release date:2017-08-16
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Human Nucleoside diphosphate-linked moiety X motif 17 (NUDT17)
To Be Published
2VAG
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CRYSTAL STRUCTURE OF DI-PHOSPHORYLATED HUMAN CLK1 IN COMPLEX WITH A NOVEL SUBSTITUTED INDOLE INHIBITOR
Descriptor:DUAL SPECIFICITY PROTEIN KINASE CLK1, ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate
Authors:Pike, A.C.W., Bullock, A.N., Fedorov, O., Pilka, E.S., Ugochukwu, E., von Delft, F., Edwards, A., Arrowsmith, C.H., Weigelt, J., Sundstrom, M., Huber, K., Bracher, F., Knapp, S.
Deposit date:2007-08-31
Release date:2007-10-09
Last modified:2011-12-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Specific Clk Inhibitors from a Novel Chemotype for Regulation of Alternative Splicing.
Chem.Biol, 18, 2011
2WU7
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CRYSTAL STRUCTURE OF THE HUMAN CLK3 IN COMPLEX WITH V25
Descriptor:DUAL SPECIFICITY PROTEIN KINASE CLK3, ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate, SULFATE ION, ...
Authors:Muniz, J.R.C., Fedorov, O., King, O., Filippakopoulos, P., Bullock, A.N., Phillips, C., Heightman, T., Ugochukwu, E., von Delft, F., Arrowsmith, C.H., Bracher, F., Huber, K., Edwards, A.M., Weigelt, J., Bountra, C., Knapp, S.
Deposit date:2009-09-30
Release date:2009-10-20
Last modified:2011-12-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Specific Clk Inhibitors from a Novel Chemotype for Regulation of Alternative Splicing.
Chem.Biol, 18, 2011
5LF9
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CRYSTAL STRUCTURE OF HUMAN NUDT22
Descriptor:Nucleoside diphosphate-linked moiety X motif 22
Authors:Tallant, C., Siejka, P., Mathea, S., Shrestha, L., Krojer, T., Srikannathasan, V., Elkins, J.M., Burgess-Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Huber, K., Structural Genomics Consortium (SGC)
Deposit date:2016-06-30
Release date:2017-08-02
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of human NUDT22
To Be Published
5LTU
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CRYSTAL STRUCTURE OF NUDT4A- DIPHOSPHOINOSITOL POLYPHOSPHATE PHOSPHOHYDROLASE 2
Descriptor:Diphosphoinositol polyphosphate phosphohydrolase 2, 1,2-ETHANEDIOL
Authors:Srikannathasan, V., Nunez, C.A., Tallant, C., Siejka, P., Mathea, S., Newman, J., Strain-Damerell, C., Elkins, J.M., Burgess-Brown, N., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F., Huber, K.
Deposit date:2016-09-07
Release date:2017-09-20
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystal Structure of Human NUDT4A- Diphosphoinositol polyphosphate phosphohydrolase 2
To Be Published
5MP0
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HUMAN M7GPPPN-MRNA HYDROLASE (DCP2, NUDT20) CATALYTIC DOMAIN
Descriptor:m7GpppN-mRNA hydrolase, 1,2-ETHANEDIOL
Authors:Mathea, S., Salah, E., Velupillai, S., Tallant, C., Pike, A.C.W., Bushell, S.R., Faust, B., Wang, D., Burgess-Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Huber, K.
Deposit date:2016-12-15
Release date:2017-06-28
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Human m7GpppN-mRNA Hydrolase (DCP2, NUDT20) Catalytic Domain
To Be Published
5MQ1
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CRYSTAL STRUCTURE OF THE BRD7 BROMODOMAIN IN COMPLEX WITH BI-9564
Descriptor:Bromodomain-containing protein 7, 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, ZINC ION, ...
Authors:Diaz-Saez, L., Martin, L.J., Panagakou, I., Picaud, S., Krojer, T., von Delft, F., Knapp, S., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Huber, K., Structural Genomics Consortium (SGC)
Deposit date:2016-12-19
Release date:2018-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the BRD7 bromodomain in complex with BI-9564
To Be Published
5QGG
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PANDDA ANALYSIS GROUP DEPOSITION OF MODELS WITH MODELLED EVENTS (E.G. BOUND LIGANDS) -- CRYSTAL STRUCTURE OF NUDT7 IN COMPLEX WITH FMOPL000693A
Descriptor:Peroxisomal coenzyme A diphosphatase NUDT7, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Krojer, T., Talon, R., Fairhead, M., Diaz Saez, L., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Ruda, G.F., Szommer, T., Srikannathasan, V., Elkins, J., Spencer, J., London, N., Nelson, A., Brennan, P.E., Huber, K., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QGH
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PANDDA ANALYSIS GROUP DEPOSITION OF MODELS WITH MODELLED EVENTS (E.G. BOUND LIGANDS) -- CRYSTAL STRUCTURE OF NUDT7 IN COMPLEX WITH FMOPL000420A
Descriptor:Peroxisomal coenzyme A diphosphatase NUDT7, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Krojer, T., Talon, R., Fairhead, M., Diaz Saez, L., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Ruda, G.F., Szommer, T., Srikannathasan, V., Elkins, J., Spencer, J., London, N., Nelson, A., Brennan, P.E., Huber, K., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QGI
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PANDDA ANALYSIS GROUP DEPOSITION OF MODELS WITH MODELLED EVENTS (E.G. BOUND LIGANDS) -- CRYSTAL STRUCTURE OF NUDT7 IN COMPLEX WITH FMOPL000710A
Descriptor:Peroxisomal coenzyme A diphosphatase NUDT7, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Krojer, T., Talon, R., Fairhead, M., Diaz Saez, L., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Ruda, G.F., Szommer, T., Srikannathasan, V., Elkins, J., Spencer, J., London, N., Nelson, A., Brennan, P.E., Huber, K., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QGJ
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PANDDA ANALYSIS GROUP DEPOSITION OF MODELS WITH MODELLED EVENTS (E.G. BOUND LIGANDS) -- CRYSTAL STRUCTURE OF NUDT7 IN COMPLEX WITH FMOPL000706A
Descriptor:Peroxisomal coenzyme A diphosphatase NUDT7, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Krojer, T., Talon, R., Fairhead, M., Diaz Saez, L., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Ruda, G.F., Szommer, T., Srikannathasan, V., Elkins, J., Spencer, J., London, N., Nelson, A., Brennan, P.E., Huber, K., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QGK
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PANDDA ANALYSIS GROUP DEPOSITION OF MODELS WITH MODELLED EVENTS (E.G. BOUND LIGANDS) -- CRYSTAL STRUCTURE OF NUDT7 IN COMPLEX WITH FMOPL000679A
Descriptor:Peroxisomal coenzyme A diphosphatase NUDT7, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Krojer, T., Talon, R., Fairhead, M., Diaz Saez, L., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Ruda, G.F., Szommer, T., Srikannathasan, V., Elkins, J., Spencer, J., London, N., Nelson, A., Brennan, P.E., Huber, K., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QGL
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PANDDA ANALYSIS GROUP DEPOSITION OF MODELS WITH MODELLED EVENTS (E.G. BOUND LIGANDS) -- CRYSTAL STRUCTURE OF NUDT7 IN COMPLEX WITH FMOPL000275A
Descriptor:Peroxisomal coenzyme A diphosphatase NUDT7, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Krojer, T., Talon, R., Fairhead, M., Diaz Saez, L., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Ruda, G.F., Szommer, T., Srikannathasan, V., Elkins, J., Spencer, J., London, N., Nelson, A., Brennan, P.E., Huber, K., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QGM
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PANDDA ANALYSIS GROUP DEPOSITION OF MODELS WITH MODELLED EVENTS (E.G. BOUND LIGANDS) -- CRYSTAL STRUCTURE OF NUDT7 IN COMPLEX WITH OX-160
Descriptor:Peroxisomal coenzyme A diphosphatase NUDT7, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Krojer, T., Talon, R., Fairhead, M., Diaz Saez, L., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Ruda, G.F., Szommer, T., Srikannathasan, V., Elkins, J., Spencer, J., London, N., Nelson, A., Brennan, P.E., Huber, K., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QGN
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PANDDA ANALYSIS GROUP DEPOSITION OF MODELS WITH MODELLED EVENTS (E.G. BOUND LIGANDS) -- CRYSTAL STRUCTURE OF NUDT7 IN COMPLEX WITH OX-210
Descriptor:Peroxisomal coenzyme A diphosphatase NUDT7, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Krojer, T., Talon, R., Fairhead, M., Diaz Saez, L., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Ruda, G.F., Szommer, T., Srikannathasan, V., Elkins, J., Spencer, J., London, N., Nelson, A., Brennan, P.E., Huber, K., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QGO
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PANDDA ANALYSIS GROUP DEPOSITION OF MODELS WITH MODELLED EVENTS (E.G. BOUND LIGANDS) -- CRYSTAL STRUCTURE OF NUDT7 IN COMPLEX WITH OX-220
Descriptor:Peroxisomal coenzyme A diphosphatase NUDT7, (3aR,4R,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol, ACETATE ION, ...
Authors:Krojer, T., Talon, R., Fairhead, M., Diaz Saez, L., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Ruda, G.F., Szommer, T., Srikannathasan, V., Elkins, J., Spencer, J., London, N., Nelson, A., Brennan, P.E., Huber, K., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QGP
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PANDDA ANALYSIS GROUP DEPOSITION OF MODELS WITH MODELLED EVENTS (E.G. BOUND LIGANDS) -- CRYSTAL STRUCTURE OF NUDT7 IN COMPLEX WITH OX-221
Descriptor:Peroxisomal coenzyme A diphosphatase NUDT7, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Krojer, T., Talon, R., Fairhead, M., Diaz Saez, L., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Ruda, G.F., Szommer, T., Srikannathasan, V., Elkins, J., Spencer, J., London, N., Nelson, A., Brennan, P.E., Huber, K., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QGQ
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PANDDA ANALYSIS GROUP DEPOSITION OF MODELS WITH MODELLED EVENTS (E.G. BOUND LIGANDS) -- CRYSTAL STRUCTURE OF NUDT7 IN COMPLEX WITH OX-65
Descriptor:Peroxisomal coenzyme A diphosphatase NUDT7, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Krojer, T., Talon, R., Fairhead, M., Diaz Saez, L., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Ruda, G.F., Szommer, T., Srikannathasan, V., Elkins, J., Spencer, J., London, N., Nelson, A., Brennan, P.E., Huber, K., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QGR
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PANDDA ANALYSIS GROUP DEPOSITION OF MODELS WITH MODELLED EVENTS (E.G. BOUND LIGANDS) -- CRYSTAL STRUCTURE OF NUDT7 IN COMPLEX WITH FMOPL000022A
Descriptor:Peroxisomal coenzyme A diphosphatase NUDT7, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Krojer, T., Talon, R., Fairhead, M., Diaz Saez, L., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Ruda, G.F., Szommer, T., Srikannathasan, V., Elkins, J., Spencer, J., London, N., Nelson, A., Brennan, P.E., Huber, K., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QGS
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PANDDA ANALYSIS GROUP DEPOSITION OF MODELS WITH MODELLED EVENTS (E.G. BOUND LIGANDS) -- CRYSTAL STRUCTURE OF NUDT7 IN COMPLEX WITH FMOPL000476A
Descriptor:Peroxisomal coenzyme A diphosphatase NUDT7, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Krojer, T., Talon, R., Fairhead, M., Diaz Saez, L., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Ruda, G.F., Szommer, T., Srikannathasan, V., Elkins, J., Spencer, J., London, N., Nelson, A., Brennan, P.E., Huber, K., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QGT
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PANDDA ANALYSIS GROUP DEPOSITION OF MODELS WITH MODELLED EVENTS (E.G. BOUND LIGANDS) -- CRYSTAL STRUCTURE OF NUDT7 IN COMPLEX WITH FMOPL000609A
Descriptor:Peroxisomal coenzyme A diphosphatase NUDT7, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Krojer, T., Talon, R., Fairhead, M., Diaz Saez, L., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Ruda, G.F., Szommer, T., Srikannathasan, V., Elkins, J., Spencer, J., London, N., Nelson, A., Brennan, P.E., Huber, K., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QGU
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PANDDA ANALYSIS GROUP DEPOSITION OF MODELS WITH MODELLED EVENTS (E.G. BOUND LIGANDS) -- CRYSTAL STRUCTURE OF NUDT7 IN COMPLEX WITH FMOPL000747A
Descriptor:Peroxisomal coenzyme A diphosphatase NUDT7, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Krojer, T., Talon, R., Fairhead, M., Diaz Saez, L., Bradley, A.R., Aimon, A., Collins, P., Brandao-Neto, J., Douangamath, A., Ruda, G.F., Szommer, T., Srikannathasan, V., Elkins, J., Spencer, J., London, N., Nelson, A., Brennan, P.E., Huber, K., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2018-05-15
Release date:2019-03-27
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published