Author results

5A7Q
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CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND 30
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4A, MANGANESE (II) ION, 2-(5-azanyl-2-oxidanyl-phenyl)pyridine-4-carboxylic acid, ...
Authors:Velupillai, S., Krojer, T., Gileadi, C., Johansson, C., Korczynska, M., Le, D.D., Younger, N., Gregori-Puigjane, E., Tumber, A., Iwasa, E., Pollock, S.B., Ortiz Torres, I., Kopec, J., Dixon-Clarke, S., MacKenzie, A., Nowak, R., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Shoichet, B.K., Fujimori, D.G., Oppermann, U.
Deposit date:2015-07-09
Release date:2016-01-13
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
5NLB
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CRYSTAL STRUCTURE OF HUMAN CUL3 N-TERMINAL DOMAIN BOUND TO KEAP1 BTB AND 3-BOX
Descriptor:Kelch-like ECH-associated protein 1, Cullin-3
Authors:Adamson, R., Krojer, T., Pinkas, D.M., Bartual, S.G., Burgess-Brown, N.A., Borkowska, O., Chalk, R., Newman, J.A., Kopec, J., Dixon-Clarke, S.E., Mathea, S., Sethi, R., Velupillai, S., Mackinnon, S., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.
Deposit date:2017-04-04
Release date:2017-04-19
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Crystal structure of human CUL3 N-terminal domain bound to KEAP1 BTB and 3-box
To Be Published
5A7P
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CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND 36
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4A, SULFATE ION, MANGANESE (II) ION, ...
Authors:Nowak, R., Velupillai, S., Krojer, T., Gileadi, C., Johansson, C., Korczynska, M., Le, D.D., Younger, N., Gregori-Puigjane, E., Tumber, A., Iwasa, E., Pollock, S.B., Ortiz Torres, I., Kopec, J., Tallant, C., Froese, S., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Shoichet, B.K., Fujimori, D.G., Oppermann, U.
Deposit date:2015-07-09
Release date:2016-01-13
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
5A7S
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CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND 44
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4A, MANGANESE (II) ION, ZINC ION, ...
Authors:Nowak, R., Velupillai, S., Krojer, T., Gileadi, C., Johansson, C., Korczynska, M., Le, D.D., Younger, N., Gregori-Puigjane, E., Tumber, A., Iwasa, E., Pollock, S.B., Ortiz Torres, I., Kopec, J., Tallant, C., Froese, S., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Shoichet, B.K., Fujimori, D.G., Oppermann, U.
Deposit date:2015-07-09
Release date:2016-01-13
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
5A7W
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CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND 35
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4A, SULFATE ION, 2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, ...
Authors:Nowak, R., Velupillai, S., Krojer, T., Gileadi, C., Johansson, C., Korczynska, M., Le, D.D., Younger, N., Gregori-Puigjane, E., Tumber, A., Iwasa, E., Pollock, S.B., Ortiz Torres, I., Kopec, J., Tallant, C., Froese, S., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Shoichet, B.K., Fujimori, D.G., Oppermann, U.
Deposit date:2015-07-10
Release date:2016-01-13
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
5A80
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CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND 40
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4A, SULFATE ION, MANGANESE (II) ION, ...
Authors:Nowak, R., Velupillai, S., Krojer, T., Gileadi, C., Johansson, C., Korczynska, M., Le, D.D., Younger, N., Gregori-Puigjane, E., Tumber, A., Iwasa, E., Pollock, S.B., Ortiz Torres, I., Kopec, J., Tallant, C., Froese, S., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Shoichet, B.K., Fujimori, D.G., Oppermann, U.
Deposit date:2015-07-11
Release date:2016-01-13
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
5L76
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CRYSTAL STRUCTURE OF HUMAN AMINOADIPATE SEMIALDEHYDE SYNTHASE, SACCHAROPINE DEHYDROGENASE DOMAIN (IN APO FORM)
Descriptor:Alpha-aminoadipic semialdehyde synthase, mitochondrial, 1,2-ETHANEDIOL, ...
Authors:Kopec, J., Pena, I.A., Rembeza, E., Strain-Damerell, C., Chalk, R., Borkowska, O., Goubin, S., Velupillai, S., Burgess-Brown, N., Arrowsmith, C., Edwards, A., Bountra, C., Arruda, P., Yue, W.W.
Deposit date:2016-06-02
Release date:2017-05-10
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in apo form)
To Be Published
4V11
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STRUCTURE OF SYNAPTOTAGMIN-1 WITH SV2A PEPTIDE PHOSPHORYLATED AT THR84
Descriptor:SYNAPTOTAGMIN-1, SYNAPTIC VESICLE GLYCOPROTEIN 2A, CALCIUM ION, ...
Authors:Zhang, N., Gordon, S.L., Fritsch, M.J., Esoof, N., Campbell, D., Gourlay, R., Velupillai, S., Macartney, T., Peggie, M., vanAalten, D.M.F., Cousin, M.A., Alessi, D.R.
Deposit date:2014-09-22
Release date:2015-02-25
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Phosphorylation of Synaptic Vesicle Protein 2A at Thr84 by Casein Kinase 1 Family Kinases Controls the Specific Retrieval of Synaptotagmin-1.
J.Neurosci., 35, 2015
5A7N
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CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND 43
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4A, MANGANESE (II) ION, ZINC ION, ...
Authors:Nowak, R., Velupillai, S., Krojer, T., Gileadi, C., Johansson, C., Korczynska, M., Le, D.D., Younger, N., Gregori-Puigjane, E., Tumber, A., Iwasa, E., Pollock, S.B., Ortiz Torres, I., Williams, E., Riesebos, E., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Shoichet, B.K., Fujimori, D.G., Oppermann, U.
Deposit date:2015-07-09
Release date:2016-01-13
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
5A7O
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CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND 42
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4A, SULFATE ION, 2-[5-(2-methoxyethanoylamino)-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, ...
Authors:Nowak, R., Velupillai, S., Krojer, T., Gileadi, C., Johansson, C., Korczynska, M., Le, D.D., Younger, N., Gregori-Puigjane, E., Tumber, A., Iwasa, E., Pollock, S.B., Ortiz Torres, I., Pinkas, D.M., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Shoichet, B.K., Fujimori, D.G., Oppermann, U.
Deposit date:2015-07-09
Release date:2016-01-13
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
5QOH
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF DCP2 (NUDT20) IN COMPLEX WITH XST00000847B
Descriptor:DCP2 (NUDT20), 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Nelson, E.R., Velupillai, S., Talon, R., Collins, P.M., Krojer, T., Wang, D., Brandao-Neto, J., Douangamath, A., Burgess-Brown, N., Arrowsmith, C.H., Bountra, C., Huber, K., von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QOI
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF DCP2 (NUDT20) IN COMPLEX WITH FMOPL000213A
Descriptor:DCP2 (NUDT20), 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Nelson, E.R., Velupillai, S., Talon, R., Collins, P.M., Krojer, T., Wang, D., Brandao-Neto, J., Douangamath, A., Burgess-Brown, N., Arrowsmith, C.H., Bountra, C., Huber, K., von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QOJ
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF DCP2 (NUDT20) IN COMPLEX WITH FMOCR000171B
Descriptor:DCP2 (NUDT20), 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Nelson, E.R., Velupillai, S., Talon, R., Collins, P.M., Krojer, T., Wang, D., Brandao-Neto, J., Douangamath, A., Burgess-Brown, N., Arrowsmith, C.H., Bountra, C., Huber, K., von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QOK
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF DCP2 (NUDT20) IN COMPLEX WITH FMOPL000294A
Descriptor:DCP2 (NUDT20), 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Nelson, E.R., Velupillai, S., Talon, R., Collins, P.M., Krojer, T., Wang, D., Brandao-Neto, J., Douangamath, A., Burgess-Brown, N., Arrowsmith, C.H., Bountra, C., Huber, K., von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QOL
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF DCP2 (NUDT20) IN COMPLEX WITH FMOPL000435A
Descriptor:DCP2 (NUDT20), 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Nelson, E.R., Velupillai, S., Talon, R., Collins, P.M., Krojer, T., Wang, D., Brandao-Neto, J., Douangamath, A., Burgess-Brown, N., Arrowsmith, C.H., Bountra, C., Huber, K., von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QOM
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF DCP2 (NUDT20) IN COMPLEX WITH FMOPL000576A
Descriptor:DCP2 (NUDT20), 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Nelson, E.R., Velupillai, S., Talon, R., Collins, P.M., Krojer, T., Wang, D., Brandao-Neto, J., Douangamath, A., Burgess-Brown, N., Arrowsmith, C.H., Bountra, C., Huber, K., von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QON
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF DCP2 (NUDT20) IN COMPLEX WITH FMOPL000446A
Descriptor:DCP2 (NUDT20), 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Nelson, E.R., Velupillai, S., Talon, R., Collins, P.M., Krojer, T., Wang, D., Brandao-Neto, J., Douangamath, A., Burgess-Brown, N., Arrowsmith, C.H., Bountra, C., Huber, K., von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QOO
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF DCP2 (NUDT20) IN COMPLEX WITH FMOPL000144A
Descriptor:DCP2 (NUDT20), 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Nelson, E.R., Velupillai, S., Talon, R., Collins, P.M., Krojer, T., Wang, D., Brandao-Neto, J., Douangamath, A., Burgess-Brown, N., Arrowsmith, C.H., Bountra, C., Huber, K., von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QOP
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF DCP2 (NUDT20) IN COMPLEX WITH NUOOA000023A
Descriptor:DCP2 (NUDT20), 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Nelson, E.R., Velupillai, S., Talon, R., Collins, P.M., Krojer, T., Wang, D., Brandao-Neto, J., Douangamath, A., Burgess-Brown, N., Arrowsmith, C.H., Bountra, C., Huber, K., von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QOQ
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF DCP2 (NUDT20) IN COMPLEX WITH Z2895259680
Descriptor:DCP2 (NUDT20), 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Nelson, E.R., Velupillai, S., Talon, R., Collins, P.M., Krojer, T., Wang, D., Brandao-Neto, J., Douangamath, A., Burgess-Brown, N., Arrowsmith, C.H., Bountra, C., Huber, K., von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QOR
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF DCP2 (NUDT20) IN COMPLEX WITH Z1203490773
Descriptor:DCP2 (NUDT20), 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Nelson, E.R., Velupillai, S., Talon, R., Collins, P.M., Krojer, T., Wang, D., Brandao-Neto, J., Douangamath, A., Burgess-Brown, N., Arrowsmith, C.H., Bountra, C., Huber, K., von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QOS
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF DCP2 (NUDT20) IN COMPLEX WITH Z1187701032
Descriptor:DCP2 (NUDT20), 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Nelson, E.R., Velupillai, S., Talon, R., Collins, P.M., Krojer, T., Wang, D., Brandao-Neto, J., Douangamath, A., Burgess-Brown, N., Arrowsmith, C.H., Bountra, C., Huber, K., von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QOT
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF DCP2 (NUDT20) IN COMPLEX WITH Z1592710382
Descriptor:DCP2 (NUDT20), 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Nelson, E.R., Velupillai, S., Talon, R., Collins, P.M., Krojer, T., Wang, D., Brandao-Neto, J., Douangamath, A., Burgess-Brown, N., Arrowsmith, C.H., Bountra, C., Huber, K., von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QOU
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF DCP2 (NUDT20) IN COMPLEX WITH Z296300542
Descriptor:DCP2 (NUDT20), 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Nelson, E.R., Velupillai, S., Talon, R., Collins, P.M., Krojer, T., Wang, D., Brandao-Neto, J., Douangamath, A., Burgess-Brown, N., Arrowsmith, C.H., Bountra, C., Huber, K., von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QOV
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF DCP2 (NUDT20) IN COMPLEX WITH Z1699011516
Descriptor:DCP2 (NUDT20), 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Nelson, E.R., Velupillai, S., Talon, R., Collins, P.M., Krojer, T., Wang, D., Brandao-Neto, J., Douangamath, A., Burgess-Brown, N., Arrowsmith, C.H., Bountra, C., Huber, K., von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:PanDDA analysis group deposition
To Be Published