Author results

6G8R
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SP140 PHD-BROMODOMAIN COMPLEX WITH SCFV
Descriptor:short-chain variable fragment, Nuclear body protein SP140, 1,2-ETHANEDIOL, ...
Authors:Fairhead, M., Graslund, S., Strain-Damerell, C., Picaud, S.S., Pike, A.C.W., Pinkas, D.M., Wigren, E., Preger, C., Persson Lotsholm, H., Ossipova, E., Filippakopoulos, P., Burgess-Brown, N.A., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F., Structural Genomics Consortium (SGC)
Deposit date:2018-04-09
Release date:2018-04-18
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:SP140 PHD-Bromodomain complex with scFv
To Be Published
5T6A
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CRYSTAL STRUCTURE OF TGCDPK1 FROM TOXOPLASMA GONDII COMPLEXED WITH 5GA
Descriptor:Calmodulin-domain protein kinase 1, 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
Authors:Jiang, D.Q., Tempel, W., Loppnau, P., Walker, J.R., Graslund, S., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Hui, R., Lovato, D.V., Osman, K.T., Structural Genomics Consortium (SGC)
Deposit date:2016-09-01
Release date:2016-11-02
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of TgCDPK1 from toxoplasma gondii complexed with SGC-1-9
to be published
5T6I
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CRYSTAL STRUCTURE OF TGCDPK1 FROM TOXOPLASMA GONDII COMPLEXED WITH 5GB
Descriptor:Calmodulin-domain protein kinase 1, 4-(3-methylphenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
Authors:Jiang, D.Q., Tempel, W., Walker, J.R., El Bakkouri, M., Loppnau, P., Graslund, S., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Hui, R., Lovato, D.V., Osman, K.T., Structural Genomics Consortium (SGC)
Deposit date:2016-09-01
Release date:2016-11-02
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of CDPK1 from toxoplasma gondii complexed with SGC-1-19
to be published
5T6K
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CRYSTAL STRUCTURE OF TGCDPK1 FROM TOXOPLASMA GONDII COMPLEXED WITH GW780159X
Descriptor:Calmodulin-domain protein kinase 1, 4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine, UNKNOWN ATOM OR ION
Authors:Jiang, D.Q., Tempel, W., Walker, J.R., El Bakkouri, M., Loppnau, P., Graslund, S., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Hui, R., Lovato, D.V., Osman, K.T., Structural Genomics Consortium (SGC)
Deposit date:2016-09-01
Release date:2016-11-02
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of CDPK1 from toxoplasma gondii complexed with SGC-1-19
to be published
5JN2
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CRYSTAL STRUCTURE OF TGCDPK1 BOUND TO NVPACU106
Descriptor:Calmodulin-domain protein kinase 1, N-[(3-{4-amino-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-7-yl}cyclobutyl)methyl]acetamide, CALCIUM ION, ...
Authors:El Bakkouri, M., Walker, J.R., Loppnau, P., Graslund, S., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Hui, R., Lovato, D.V., Structural Genomics Consortium (SGC)
Deposit date:2016-04-29
Release date:2016-05-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of TgCDPK1 bound to NVPACU106
To Be Published
5JMS
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CRYSTAL STRUCTURE OF TGCDPK1 BOUND TO CGP060476
Descriptor:Calmodulin-domain protein kinase 1, N~1~-(4-{2-[(3-chlorophenyl)amino]pyrimidin-4-yl}pyridin-2-yl)ethane-1,2-diamine, CALCIUM ION, ...
Authors:El Bakkouri, M., Walker, J.R., Loppnau, P., Graslund, S., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Hui, R., Lovato, D.V., Structural Genomics Consortium (SGC)
Deposit date:2016-04-29
Release date:2016-05-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of TgCDPK1bount to CGP060476
To Be Published
5J3U
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CO-CRYSTAL STRUCTURE OF THE REGULATORY DOMAIN OF TOXOPLASMA GONDII PKA WITH CAMP
Descriptor:Protein Kinase A, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, GLYCEROL
Authors:El Bakkouri, M., Walker, J.R., Tempel, W., Loppnau, P., Graslund, S., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Hui, R., Lin, L., Structural Genomics Consortium (SGC)
Deposit date:2016-03-31
Release date:2016-04-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Co-crystal structure of the regulatory domain of Toxoplasma gondii PKA with cAMP
To Be Published
5F0A
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CRYSTAL STRUCTURE OF PVX_084705 WITH BOUND 1-TERT-BUTYL-3-(3-CHLOROPHENOXY)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE INHIBITOR
Descriptor:cGMP-dependent protein kinase, putative, 1-tert-butyl-3-(3-chlorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Authors:Walker, J.R., Wernimont, A.K., He, H., Seitova, A., Loppnau, P., Sibley, L.D., Graslund, S., Hutchinson, A., Bountra, C., Weigelt, J., Edwards, A.M., Arrowsmith, C.H., Hui, R., El Bakkouri, M., Structural Genomics Consortium (SGC)
Deposit date:2015-11-27
Release date:2015-12-16
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:CRYSTAL STRUCTURE OF PVX_084705 WITH BOUND INHIBITOR
To be published
5DZC
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CRYSTAL STRUCTURE OF PVX_084705 IN COMPLEX WITH AMP-PNP
Descriptor:cGMP-dependent protein kinase, putative, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Walker, J.R., El Bakkouri, M., Loppnau, P., Graslund, S., He, H., Seitova, A., Hutchinson, A., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Hui, R., Amani, M., Structural Genomics Consortium (SGC)
Deposit date:2015-09-25
Release date:2015-10-14
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:CRYSTAL STRUCTURE OF PVX_084705 IN COMPLEX WITH AMP-PNP
To be published
5DVR
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CRYSTAL STRUCTURE OF TGCDPK1 FROM TOXOPLASMA GONDII COMPLEXED WITH GW780159X
Descriptor:Calmodulin-domain protein kinase 1, 4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine, UNKNOWN ATOM OR ION
Authors:Jiang, D.Q., Tempel, W., Loppnau, P., Graslund, S., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Hui, R., Lovato, D.V., Osman, K.T., Structural Genomics Consortium (SGC)
Deposit date:2015-09-21
Release date:2015-09-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of TgCDPK1 From Toxoplasma Gondii complexed with GW780159X
to be published
5CZG
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CRYSTAL STRUCTURE ANALYSIS OF HYPOTHETICAL BROMODOMAIN TB427.10.7420 FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH BROMOSPORINE
Descriptor:Hypothetical Bromodomain, SODIUM ION, Bromosporine, ...
Authors:Jiang, D.Q., Tempel, W., Loppnau, P., Graslund, S., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Hui, R., Amani, M., Hou, C.F.D., Structural Genomics Consortium (SGC)
Deposit date:2015-07-31
Release date:2015-08-12
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Crystal Structure Analysis of hypothetical bromodomain from Trypanosoma brucei
to be published
5C8G
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CRYSTAL STRUCTURE ANALYSIS OF PP-BRD20 FROM TB427TMP COMPLEXED WITH BI-2536
Descriptor:PP-BRD20, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, UNKNOWN ATOM OR ION
Authors:Jiang, D.Q., Tempel, W., Loppnau, P., Graslund, S., Hou, C.F.D., El Bakkouri, M., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Hui, R., Amain, M., Lin, Y.H., Structural Genomics Consortium (SGC)
Deposit date:2015-06-25
Release date:2015-07-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure Analysis of PP-BRD20 from Tb427tmp
to be published
5C4Q
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CRYSTAL STRUCTURE ANALYSIS OF BROMODOMAIN FROM LEISHMANIA DONOVANI COMPLEXED WITH BROMOSPORINE
Descriptor:Bromodomain, Bromosporine, UNKNOWN ATOM OR ION
Authors:Jiang, D.Q., Tempel, W., Loppnau, P., Graslund, S., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Hui, R., Amani, M., Hou, C.F.D., Structural Genomics Consortium (SGC)
Deposit date:2015-06-18
Release date:2015-07-08
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.932 Å)
Cite:Crystal Structure Analysis of bromodomain from Leishmania donovani complexed with bromosporine
to be published
4ZGC
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CRYSTAL STRUCTURE ANALYSIS OF KELCH PROTEIN (WITH DISULFIDE BOND) FROM PLASMODIUM FALCIPARUM
Descriptor:Kelch protein, UNKNOWN ATOM OR ION
Authors:Jiang, D.Q., Tempel, W., Loppnau, P., Graslund, S., He, H., Ravichandran, M., Seitova, A., Arrowsmith, C.H., Edwards, A.M., Bountra, C., El Bakkouri, M., Senisterra, G., Osman, K.T., Lovato, D.V., Hui, R., Hutchinson, A., Lin, Y.H., Structural Genomics Consortium (SGC)
Deposit date:2015-04-22
Release date:2015-06-10
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of kelch protein with disulfide bond from Plasmodium falciparum.
to be published
4MXE
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HUMAN ESCO1 (ECO1/CTF7 ORTHOLOG), ACETYLTRANSFERASE DOMAIN IN COMPLEX WITH ACETYL-COA
Descriptor:N-acetyltransferase ESCO1, ACETYL COENZYME *A
Authors:Karlberg, T., Wisniewska, M., Thorsell, A.G., Kouznetsova, E., Arrowsmith, C.H., Berglund, H., Bountra, C., Collins, R., Edwards, A.M., Flodin, S., Flores, A., Graslund, S., Hammarstrom, M., Johansson, I., Kallas, A., Kraulis, P., Kotenyova, T., Moche, M., Nielsen, T.K., Nordlund, P., Nyman, T., Persson, C., Schutz, P., Svensson, L., Tresaugues, L., Van Den Berg, S., Wahlberg, E., Weigelt, J., Welin, M., Schuler, H., Structural Genomics Consortium (SGC)
Deposit date:2013-09-26
Release date:2015-04-08
Last modified:2016-05-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Sister Chromatid Cohesion Establishment Factor ESCO1 Operates by Substrate-Assisted Catalysis.
Structure, 24, 2016
4YY8
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CRYSTAL STRUCTURE ANALYSIS OF KELCH PROTEIN FROM PLASMODIUM FALCIPARUM
Descriptor:Kelch protein, UNKNOWN ATOM OR ION, GLYCEROL
Authors:Jiang, D.Q., Tempel, W., Loppnau, P., Graslund, S., He, H., Ravichandran, M., Seitova, A., Arrowsmith, C.H., Edwards, A.M., Bountra, C., El Bakkouri, M., Senisterra, G., Osman, K.T., Lovato, D.V., Hui, R., Hutchinson, A., Lin, Y.H., Structural Genomics Consortium (SGC)
Deposit date:2015-03-23
Release date:2015-04-01
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal Structure Analysis of Kelch protein from Plasmodium falciparum.
to be published
4RZ0
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CRYSTAL STRUCTURE OF PLASMODIUM FALCIPARUM PUTATIVE HISTONE METHYLTRANSFERASE PFL0690C
Descriptor:PFL0690c, UNKNOWN ATOM OR ION
Authors:Jiang, D.Q., Tempel, W., Loppnau, P., Graslund, S., He, H., Ravichandran, M., Seitova, A., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Hui, R., Hutchinson, A., Lin, Y.H., Structural Genomics Consortium (SGC)
Deposit date:2014-12-17
Release date:2015-01-21
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.487 Å)
Cite:Crystal Structure of Plasmodium falciparum putative histone methyltransferase PFL0690c
To be Published
4RZ7
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CRYSTAL STRUCTURE OF PVX_084705 WITH BOUND PCI32765
Descriptor:cGMP-dependent protein kinase, putative, 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, ...
Authors:Jiang, D.Q., Tempel, W., Loppnau, P., Graslund, S., He, H., Seitova, A., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Hui, R., Hutchinson, A., El Bakkouri, M., Amani, M., Structural Genomics Consortium (SGC)
Deposit date:2014-12-18
Release date:2015-01-14
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Crystal Structure of PVX_084705 with bound PCI32765
To be Published
4QPN
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CRYSTAL STRUCTURE OF HUMAN METHYLTRANSFERASE-LIKE PROTEIN 21B
Descriptor:Protein-lysine methyltransferase METTL21B, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
Authors:Tempel, W., Hong, B.S., Seitova, A., He, H., Li, Y., Graslund, S., Arrowsmith, C.H., Edwards, A.M., Brown, P.J., Structural Genomics Consortium (SGC)
Deposit date:2014-06-24
Release date:2014-07-09
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal Structure of Human Methyltransferase-Like Protein 21B
TO BE PUBLISHED
4CML
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CRYSTAL STRUCTURE OF INPP5B IN COMPLEX WITH PHOSPHATIDYLINOSITOL 3,4- BISPHOSPHATE
Descriptor:TYPE II INOSITOL 1,4,5-TRISPHOSPHATE 5- PHOSPHATASE, ISOFORM 2, 1,2-dioctanoyl phosphatidyl epi-inositol (3,4)-bisphosphate, ...
Authors:Tresaugues, L., Arrowsmith, C.H., Berglund, H., Bountra, C., Edwards, A.M., Ekblad, T., Flodin, S., Graslund, S., Karlberg, T., Moche, M., Nyman, T., Schuler, H., Silvander, C., Thorsell, A.G., Weigelt, J., Welin, M., Nordlund, P.
Deposit date:2014-01-16
Release date:2014-04-16
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for Phosphoinositide Substrate Recognition, Catalysis, and Membrane Interactions in Human Inositol Polyphosphate 5-Phosphatases.
Structure, 22, 2014
4CMN
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CRYSTAL STRUCTURE OF OCRL IN COMPLEX WITH A PHOSPHATE ION
Descriptor:INOSITOL POLYPHOSPHATE 5-PHOSPHATASE OCRL-1, PHOSPHATE ION, MAGNESIUM ION, ...
Authors:Tresaugues, L., Moche, M., Arrowsmith, C.H., Berglund, H., Bountra, C., Edwards, A.M., Ekblad, T., Flodin, S., Graslund, S., Karlberg, T., Nyman, T., Schuler, H., Silvander, C., Thorsell, A.G., Weigelt, J., Welin, M., Nordlund, P.
Deposit date:2014-01-16
Release date:2014-04-16
Last modified:2014-05-21
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Structural Basis for Phosphoinositide Substrate Recognition, Catalysis, and Membrane Interactions in Human Inositol Polyphosphate 5-Phosphatases.
Structure, 22, 2014
4IFG
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CRYSTAL STRUCTURE OF TGCDPK1 WITH INHIBITOR BOUND
Descriptor:Calmodulin-domain protein kinase 1, 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, UNKNOWN ATOM OR ION
Authors:El Bakkouri, M., Tempel, W., Crandall, I., Massad, T., Loppnau, P., Graslund, S., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Kain, K., Hui, R., Structural Genomics Consortium (SGC)
Deposit date:2012-12-14
Release date:2014-04-16
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal structure of TgCDPK1 with inhibitor bound
To be Published
4IH8
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CRYSTAL STRUCTURE OF TGCDPK1 WITH INHIBITOR BOUND
Descriptor:Calmodulin-domain protein kinase 1, 4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl-cyclopentane
Authors:El Bakkouri, M., Tempel, W., Crandall, I., Massad, T., Loppnau, P., Graslund, S., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Kain, K., Hui, R., Structural Genomics Consortium (SGC)
Deposit date:2012-12-18
Release date:2014-04-16
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.877 Å)
Cite:Crystal structure of TgCDPK1 with inhibitor bound
To be Published
4IHP
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CRYSTAL STRUCTURE OF TGCDPK1 WITH INHIBITOR BOUND
Descriptor:Calmodulin-domain protein kinase 1, 1-tert-butyl-3-(3-chlorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, UNKNOWN ATOM OR ION
Authors:El Bakkouri, M., Tempel, W., Crandall, I.E., Massad, T., Loppnau, P., Graslund, S., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Kain, C.K., Shokat, K.M., Sibley, L.D., Hui, R., Structural Genomics Consortium (SGC)
Deposit date:2012-12-19
Release date:2014-01-15
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal structure of TgCDPK1 with inhibitor bound
TO BE PUBLISHED
4L59
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CRYSTAL STRUCTURE OF THE 3-MBT REPEAT DOMAIN OF L3MBTL3 AND UNC2533 COMPLEX
Descriptor:Lethal(3)malignant brain tumor-like protein 3, 4-(pyrrolidin-1-yl)-1-{4-[2-(pyrrolidin-1-yl)ethyl]phenyl}piperidine, SULFATE ION, ...
Authors:Zhong, N., Dong, A., Ravichandran, M., Camerino, M.A., Dickson, B.M., James, L.I., Baughman, B.M., Norris, J.L., Kireev, D.B., Janzen, W.P., Graslund, S., Frye, S.V., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Brown, P.J., Structural Genomics Consortium (SGC)
Deposit date:2013-06-10
Release date:2013-07-10
Last modified:2018-05-16
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:The structure-activity relationships of L3MBTL3 inhibitors: flexibility of the dimer interface.
Medchemcomm, 4, 2013