Author results

1X6M
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CRYSTAL STRUCTURE OF THE GLUTATHIONE-DEPENDENT FORMALDEHYDE-ACTIVATING ENZYME (GFA)
Descriptor:Glutathione-dependent formaldehyde-activating enzyme, ZINC ION, SULFATE ION, ...
Authors:Neculai, A.M., Neculai, D., Vorholt, J.A., Becker, S.
Deposit date:2004-08-11
Release date:2004-11-23
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A dynamic zinc redox switch
J.Biol.Chem., 280, 2005
1XA8
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CRYSTAL STRUCTURE ANALYSIS OF GLUTATHIONE-DEPENDENT FORMALDEHYDE-ACTIVATING ENZYME (GFA)
Descriptor:Glutathione-dependent formaldehyde-activating enzyme, ZINC ION, SULFATE ION, ...
Authors:Neculai, A.M., Neculai, D., Griesinger, C., Vorholt, J.A., Becker, S.
Deposit date:2004-08-25
Release date:2004-11-23
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A dynamic zinc redox switch
J.Biol.Chem., 280, 2005
3CQT
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N53I V55L MUTANT OF FYN SH3 DOMAIN
Descriptor:Proto-oncogene tyrosine-protein kinase Fyn
Authors:Neculai, A.M., Zarrine-Afsar, A., Howell, P.L., Davidson, A., Chan, H.S.
Deposit date:2008-04-03
Release date:2008-07-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Theoretical and experimental demonstration of the importance of specific nonnative interactions in protein folding.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1Y1U
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STRUCTURE OF UNPHOSPHORYLATED STAT5A
Descriptor:Signal transducer and activator of transcription 5A
Authors:Neculai, D., Neculai, A.M., Verrier, S., Straub, K., Klumpp, K., Pfitzner, E., Becker, S.
Deposit date:2004-11-19
Release date:2005-10-04
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structure of the unphosphorylated STAT5a dimer
J.Biol.Chem., 280, 2005
3MSE
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CRYSTAL STRUCTURE OF C-TERMINAL DOMAIN OF PF110239.
Descriptor:Calcium-dependent protein kinase, putative, CALCIUM ION, ...
Authors:Wernimont, A.K., Artz, J.D., Hutchinson, A., Sullivan, H., Weadge, J., Tempel, W., Bochkarev, A., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Weigelt, J., Hui, R., Lin, Y.H., Neculai, A.M., Amani, M., Structural Genomics Consortium (SGC)
Deposit date:2010-04-29
Release date:2010-06-23
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of C-terminal domain of PF110239
To be Published
3OZ6
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CRYSTAL STRUCTURE OF MAPK FROM CRYPTOSPORIDIUM PARVUM, CGD2_1960
Descriptor:Mitogen-activated protein kinase 1, serine/threonine protein kinase, GLYCEROL
Authors:Wernimont, A.K., Lew, J., Lin, Y.H., Sullivan, H., Hassanali, A., Kozieradzki, I., Cossar, D., Arrowsmith, C.H., Bochkarev, A., Bountra, C., Edwards, A.M., Weigelt, J., Hui, R., Neculai, A.M., Hutchinson, A., Structural Genomics Consortium (SGC)
Deposit date:2010-09-24
Release date:2010-12-08
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Crystal structure of MapK from Cryptosporidium Parvum, cgd2_1960
To be Published
3P1W
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CRYSTAL STRUCTURE OF RAB GDI FROM PLASMODIUM FALCIPARUM, PFL2060C
Descriptor:RabGDI protein
Authors:Wernimont, A.K., Neculai, A.M., Weadge, J., MacKenzie, F., Cossar, D., Tempel, W., Bochkarev, A., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Langsley, G., Bosch, J., Hui, R., Pizzaro, J.C., Hutchinson, A., Structural Genomics Consortium (SGC)
Deposit date:2010-09-30
Release date:2010-12-15
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of RAB GDI from Plasmodium Falciparum, PFL2060c
To be published
3Q5I
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CRYSTAL STRUCTURE OF PBANKA_031420
Descriptor:Protein kinase, CALCIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Wernimont, A.K., Hutchinson, A., Sullivan, H., Panico, E., Crombet, L., Cossar, D., Hassani, A., Vedadi, M., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Weigelt, J., Hui, R., Neculai, A.M., Amani, M., Structural Genomics Consortium (SGC)
Deposit date:2010-12-28
Release date:2011-06-01
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of CDPK1 from Plasmodium Bergheii, PBANKA_031420
To be Published
5FET
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CRYSTAL STRUCTURE OF PVX_084705 IN PRESENCE OF COMPOUND 2
Descriptor:cGMP-dependent protein kinase, putative, 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
Authors:Wernimont, A.K., Tempel, W., Walker, J.R., 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:2015-12-17
Release date:2016-01-13
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Crystal Structure of PVX_084705 in presence of Compound 2
To be published
3E4B
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CRYSTAL STRUCTURE OF ALGK FROM PSEUDOMONAS FLUORESCENS WCS374R
Descriptor:AlgK, CHLORIDE ION, GLYCEROL
Authors:Keiski, C.-L., Harwich, M., Jain, S., Neculai, A.M., Yip, P., Robinson, H., Whitney, J.C., Burrows, L.L., Ohman, D.E., Howell, P.L.
Deposit date:2008-08-11
Release date:2009-08-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:AlgK is a TPR-containing protein and the periplasmic component of a novel exopolysaccharide secretin.
Structure, 18, 2010
3I3T
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CRYSTAL STRUCTURE OF COVALENT UBIQUITIN-USP21 COMPLEX
Descriptor:Ubiquitin carboxyl-terminal hydrolase 21, Ubiquitin, ZINC ION, ...
Authors:Neculai, D., Avvakumov, G.V., Walker, J.R., Xue, S., Butler-Cole, C., Weigelt, J., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Bochkarev, A., Dhe-Paganon, S., Structural Genomics Consortium (SGC)
Deposit date:2009-06-30
Release date:2009-07-21
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
3V6E
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CRYSTAL STRUCTURE OF USP2 AND A MUTANT FORM OF UBIQUITIN
Descriptor:Ubiquitin carboxyl-terminal hydrolase 2, Ubiquitin, ZINC ION, ...
Authors:Neculai, M., Ernst, A., Sidhu, S., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Weigelt, J., Dhe-Paganon, S., Structural Genomics Consortium (SGC)
Deposit date:2011-12-19
Release date:2012-12-19
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
3MTN
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USP21 IN COMPLEX WITH A UBIQUITIN-BASED, USP21-SPECIFIC INHIBITOR
Descriptor:Ubiquitin carboxyl-terminal hydrolase 21, UBIQUITIN VARIANT UBV.21.4, ZINC ION, ...
Authors:Walker, J.R., Avvakumov, G.V., Xue, S., Li, Y., Ernst, A., Sidhu, S., Weigelt, J., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Bochkarev, A., Dhe-Paganon, S., Structural Genomics Consortium (SGC)
Deposit date:2010-04-30
Release date:2010-06-09
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
3N3K
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THE CATALYTIC DOMAIN OF USP8 IN COMPLEX WITH A USP8 SPECIFIC INHIBITOR
Descriptor:Ubiquitin carboxyl-terminal hydrolase 8, Ubiquitin, ZINC ION
Authors:Walker, J.R., Avvakumov, G.V., Xue, S., Li, Y., Allali-Hassani, A., Lam, R., Ernst, A., Sidhu, S., Weigelt, J., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Bochkarev, A., Dhe-Paganon, S., Structural Genomics Consortium, Structural Genomics Consortium (SGC)
Deposit date:2010-05-20
Release date:2010-06-23
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
4I6L
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CRYSTAL STRUCTURE OF OTUB1 IN COMPLEX WITH UBIQUITIN VARIANT
Descriptor:Ubiquitin thioesterase OTUB1, Ubiquitin
Authors:Juang, Y.C., Sicheri, F.
Deposit date:2012-11-29
Release date:2013-01-16
Last modified:2013-02-20
Method:X-RAY DIFFRACTION (2.488 Å)
Cite:A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
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:2019-07-03
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, 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:2019-07-03
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, 2019
4RT0
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STRUCTURE OF THE ALG44 PILZ DOMAIN FROM PSEUDOMONAS AERUGINOSA PAO1 IN COMPLEX WITH C-DI-GMP
Descriptor:Alginate biosynthesis protein Alg44, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), 1,2-ETHANEDIOL
Authors:Whitfield, G.B., Whitney, J.C.
Deposit date:2014-11-12
Release date:2015-04-08
Last modified:2015-06-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Dimeric c-di-GMP Is Required for Post-translational Regulation of Alginate Production in Pseudomonas aeruginosa.
J.Biol.Chem., 290, 2015
4RT1
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STRUCTURE OF THE ALG44 PILZ DOMAIN (R95A MUTANT) FROM PSEUDOMONAS AERUGINOSA PAO1 IN COMPLEX WITH C-DI-GMP
Descriptor:Alginate biosynthesis protein Alg44, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CHLORIDE ION, ...
Authors:Whitfield, G.B., Whitney, J.C.
Deposit date:2014-11-12
Release date:2015-04-08
Last modified:2015-06-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Dimeric c-di-GMP Is Required for Post-translational Regulation of Alginate Production in Pseudomonas aeruginosa.
J.Biol.Chem., 290, 2015