Author results

5EZR
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CRYSTAL STRUCTURE OF PVX_084705 BOUND TO COMPOUND
Descriptor:cGMP-dependent protein kinase, putative, N-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide, ...
Authors:El Bakkouri, M., Amani, M., Walker, J.R., Osborne, S., Large, J.M., Birchall, K., Bouloc, N., Smiljanic-Hurley, E., Wheldon, M., Harding, D.J., Merritt, A.T., Ansell, K.H., Coombs, P.J., Kettleborough, C.A., Stewart, B.L., Bowyer, P.W., Gutteridge, W.E., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Baker, D.A., Hui, R., Loppnau, P., Structural Genomics Consortium (SGC)
Deposit date:2015-11-26
Release date:2017-05-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of PVX_084705 bound to compound
To Be Published
3NBX
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CRYSTAL STRUCTURE OF E. COLI RAVA (REGULATORY ATPASE VARIANT A) IN COMPLEX WITH ADP
Descriptor:ATPase ravA, ADENOSINE-5'-DIPHOSPHATE, SULFATE ION
Authors:El Bakkouri, M.
Deposit date:2010-06-04
Release date:2011-01-12
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structure of RavA MoxR AAA+ protein reveals the design principles of a molecular cage modulating the inducible lysine decarboxylase activity
Proc.Natl.Acad.Sci.USA, 107, 2010
4GM2
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THE CRYSTAL STRUCTURE OF A PEPTIDASE FROM PLASMODIUM FALCIPARUM
Descriptor:ATP-dependent Clp protease proteolytic subunit
Authors:El Bakkouri, M., Jung, P., Wernimont, A.K., Calmettes, C., Hui, R., Houry, W.A., Structural Genomics Consortium (SGC)
Deposit date:2012-08-15
Release date:2012-12-05
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Insights into the Inactive Subunit of the Apicoplast-localized Caseinolytic Protease Complex of Plasmodium falciparum.
J.Biol.Chem., 288, 2013
4HNK
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CRYSTAL STRUCTURE OF AN ENZYME
Descriptor:ATP-dependent Clp protease proteolytic subunit, GLYCEROL
Authors:El Bakkouri, M., Calmettes, C., Wernimont, A.K., Houry, W.A., Hui, R., Structural Genomics Consortium (SGC)
Deposit date:2012-10-19
Release date:2012-12-05
Last modified:2013-01-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Insights into the Inactive Subunit of the Apicoplast-localized Caseinolytic Protease Complex of Plasmodium falciparum.
J.Biol.Chem., 288, 2013
5E16
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CO-CRYSTAL STRUCTURE OF THE N-TERMIAL CGMP BINDING DOMAIN OF PLASMODIUM FALCIPARUM PKG WITH CGMP
Descriptor:CGMP-dependent protein kinase, CYCLIC GUANOSINE MONOPHOSPHATE
Authors:El Bakkouri, M., Walker, J.R., Loppnau, P., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Hui, R., Structural Genomics Consortium (SGC)
Deposit date:2015-09-29
Release date:2015-11-04
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
4FUK
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AMINOPEPTIDASE FROM TRYPANOSOMA BRUCEI
Descriptor:Methionine aminopeptidase, ZINC ION, UNKNOWN ATOM OR ION, ...
Authors:El Bakkouri, M., Tempel, W., Osman, K.T., Loppnau, P., Graslund, S., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Hui, R., Lin, Y.H., Structural Genomics Consortium (SGC)
Deposit date:2012-06-28
Release date:2012-08-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Aminpeptidase from Trypanosoma brucei (CASP Target)
To be Published
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
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
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
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
5KO4
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BROMODOMAIN FROM TRYPANOSOMA BRUCEI TB427.10.8150
Descriptor:Putative uncharacterized protein, SULFATE ION
Authors:El Bakkouri, M., Walker, J.R., Hou, C.F.D., Lin, Y.H., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Hui, R., Structural Genomics Consortium (SGC)
Deposit date:2016-06-29
Release date:2016-08-31
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Bromodomain from Trypanosoma brucei Tb427.10.8150
To be published
5W80
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TOXOPLASMA GONDII CDPK1 IN COMPLEX WITH INHIBITOR GXJ-237
Descriptor:Calmodulin-domain protein kinase 1, 3-(3-chlorophenoxy)-1-[(piperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION
Authors:El Bakkouri, M., Lovato, D., Loppnau, P., Lin, Y.H., Rutaganaria, F., Lopez, M.S., Shokat, L., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Sibley, D., Walker, J.R., Structural Genomics Consortium (SGC)
Deposit date:2017-06-21
Release date:2017-07-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-237
To be published
5W8R
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TOXOPLASMA GONDII CDPK1 IN COMPLEX WITH INHIBITOR 3CIB-PPI
Descriptor:Calmodulin-domain protein kinase 1, 1-tert-butyl-3-[(3-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION
Authors:El Bakkouri, M., Lovato, D., Loppnau, P., Lin, Y.H., Rutaganaria, F., Lopez, M.S., Shokat, L., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Sibley, D., Hui, R., Walker, J.R., Structural Genomics Consortium (SGC)
Deposit date:2017-06-22
Release date:2017-07-19
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI
To be published
5W91
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TOXOPLASMA GONDII CDPK1 IN COMPLEX WITH INHIBITOR LZH118
Descriptor:Calmodulin-domain protein kinase 1, 1-tert-butyl-N~3~-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine, CALCIUM ION
Authors:El Bakkouri, M., Lovato, D., Loppnau, P., Lin, Y.H., Rutaganaria, F., Lopez, M.S., Shokat, L., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Sibley, D., Hui, R., Walker, J.R., Structural Genomics Consortium (SGC)
Deposit date:2017-06-22
Release date:2017-08-30
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Toxoplasma Gondii CDPK1 in complex with inhibitor LZH118
To be published
5W9E
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TOXOPLASMA GONDII CDPK1 IN COMPLEX WITH INHIBITOR GXJ-186
Descriptor:Calmodulin-domain protein kinase 1, 1-tert-butyl-3-[(3-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Authors:El Bakkouri, M., Lovato, D., Loppnau, P., Lin, Y.H., Rutaganaria, F., Lopez, M.S., Shokat, L., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Sibley, D., Hui, R., Walker, J.R.
Deposit date:2017-06-23
Release date:2017-08-02
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-186
To be published
5W9R
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TOXOPLASMA GONDII CDPK1 IN COMPLEX WITH INHIBITOR LJQ138
Descriptor:Calmodulin-domain protein kinase 1, 1-tert-butyl-3-[(1H-indol-3-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Authors:El Bakkouri, M., Lovato, D., Loppnau, P., Lin, Y.H., Rutaganaria, F., Lopez, M.S., Shokat, L., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Sibley, D., Hui, R., Walker, J.R.
Deposit date:2017-06-23
Release date:2017-08-02
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Toxoplasma Gondii CDPK1 in complex with inhibitor LJQ138
To be published
5DYK
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CRYSTAL STRUCTURE OF THE CGMP-DEPENDENT PROTEIN KINASE PKG FROM PLASMODIUM FALCIPARUM - APO FORM
Descriptor:CGMP-dependent protein kinase, 1,2-ETHANEDIOL, SULFATE ION, ...
Authors:Wernimont, A.K., Tempel, W., He, H., Seitova, A., Hills, T., Neculai, A.M., Baker, D.A., Flueck, C., Kettleborough, C.A., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Hui, R., Hutchinson, A., El Bakkouri, M., Structural Genomics Consortium (SGC)
Deposit date:2015-09-24
Release date:2015-11-04
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
5DYL
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CRYSTAL STRUCTURE OF THE CGMP-DEPENDENT PROTEIN KINASE PKG FROM PLASMODIUM VIVAX - APO FORM
Descriptor:cGMP-dependent protein kinase, putative
Authors:Wernimont, A.K., Tempel, W., He, H., Seitova, A., Hills, T., Neculai, A.M., Baker, D.A., Flueck, C., Kettleborough, C.A., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Hui, R., Hutchinson, A., El Bakkouri, M., Structural Genomics Consortium (SGC)
Deposit date:2015-09-24
Release date:2015-11-04
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
5DZC
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CRYSTAL STRUCTURE OF THE CGMP-DEPENDENT PROTEIN KINASE PKG FROM PLASMODIUM VIVAX - AMPPNP BOUND
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:2019-11-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
3Q16
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LINKAGE BETWEEN THE BACTERIAL ACID STRESS AND STRINGENT RESPONSES: THE STRUCTURE OF THE INDUCIBLE LYSINE DECARBOXYLASE
Descriptor:Lysine decarboxylase, inducible
Authors:El Bakkouri, M., Pai, E.F., Houry, W.A.
Deposit date:2010-12-16
Release date:2011-02-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Linkage between the bacterial acid stress and stringent responses: the structure of the inducible lysine decarboxylase.
Embo J., 30, 2011
4IEB
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CRYSTAL STRUCTURE OF A GLY128MET MUTANT OF THE TOXOPLASMA CDPK, TGME49_101440
Descriptor:Calmodulin-domain protein kinase 1, CALCIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Wernimont, A.K., Artz, J.D., El Bakkouri, M., Schapira, M., Edwards, A.M., Arrowsmith, C.H., Bountra, C., Hui, R., Amani, M., Structural Genomics Consortium (SGC)
Deposit date:2012-12-13
Release date:2013-12-25
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of a Gly128Met mutant of the toxoplasma CDPK, TGME49_101440
To be Published
4JDS
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SETD7 IN COMPLEX WITH INHIBITOR PF-5426 AND S-ADENOSYL-METHIONINE
Descriptor:Histone-lysine N-methyltransferase SETD7, S-ADENOSYLMETHIONINE, N-[(2R)-3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]-8-fluoro-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide, ...
Authors:Dong, A., Wu, H., Zeng, H., Park, H., El Bakkouri, M., Barsyte, D., Vedadi, M., Tatlock, J., Owen, D., Bunnage, M., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Brown, P.J., Structural Genomics Consortium (SGC)
Deposit date:2013-02-25
Release date:2013-03-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:SETD7 in complex with inhibitor PF-5426 and S-adenosyl-methionine
to be published
4QNY
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CRYSTAL STRUCTURE OF MAPK FROM LEISHMANIA DONOVANI, LDBPK_331470
Descriptor:Mitogen activated protein kinase, putative, MAGNESIUM ION, ...
Authors:Wernimont, A.K., Loppnau, P., Walker, J.R., Mangos, M., El Bakkouri, M., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Hui, R., Amani, M., Structural Genomics Consortium (SGC)
Deposit date:2014-06-18
Release date:2014-07-09
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.257 Å)
Cite:Crystal structure of MapK from Leishmania donovani, LDBPK_331470
TO BE PUBLISHED
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