Author results

1XF0
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CRYSTAL STRUCTURE OF HUMAN 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 5 (AKR1C3) COMPLEXED WITH DELTA4-ANDROSTENE-3,17-DIONE AND NADP
Descriptor:Aldo-keto reductase family 1 member C3, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Qiu, W., Zhou, M., Labrie, F., Lin, S.-X.
Deposit date:2004-09-13
Release date:2004-10-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of the multispecific 17beta-hydroxysteroid dehydrogenase type 5: critical androgen regulation in human peripheral tissues
Mol.Endocrinol., 18, 2004
1I5R
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TYPE 1 17-BETA HYDROXYSTEROID DEHYDROGENASE EM1745 COMPLEX
Descriptor:TYPE 1 17 BETA-HYDROXYSTEROID DEHYDROGENASE, O5'-[9-(3,17B-DIHYDROXY-1,3,5(10)-ESTRATRIEN-16B-YL)-NONANOYL]ADENOSINE, GLYCEROL
Authors:Qiu, W., Campbell, R.L., Boivin, P., Poirier, D., Lin, S.-X.
Deposit date:2001-02-28
Release date:2003-03-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A concerted, rational design of type 1 17beta-hydroxysteroid dehydrogenase inhibitors: estradiol-adenosine hybrids with high affinity
FASEB J., 16, 2002
1ZQ5
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CRYSTAL STRUCTURE OF HUMAN ANDROGENIC 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 5 IN COMPLEXED WITH A POTENT INHIBITOR EM1404
Descriptor:Aldo-keto reductase family 1 member C3, ACETATE ION, 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN, ...
Authors:Qiu, W., Zhou, M., Ghanmi, D., Luu-The, V., Labrie, F., Lin, S.X.
Deposit date:2005-05-18
Release date:2006-12-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure-based inhibitor design for an enzyme that binds different steroids: a potent inhibitor for human type 5 17beta-hydroxysteroid dehydrogenase.
J.Biol.Chem., 282, 2007
2FGB
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CRYSTAL STRUCTURE OF HUMAN 17BET A-HYDROXYSTEROID DEHYDROGENASE TYPE 5 IN COMPLEXES WITH PEG AND NADP
Descriptor:Aldo-keto reductase family 1 member C3, ACETATE ION, HEXAETHYLENE GLYCOL, ...
Authors:Qiu, W., Zhou, M., Azzi, A., Luu-The, V., Labrie, F., Lin, S.X.
Deposit date:2005-12-21
Release date:2006-12-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure-based inhibitor design for an enzyme that binds different steroids: a potent inhibitor for human type 5 17beta-hydroxysteroid dehydrogenase.
J.Biol.Chem., 282, 2007
2PWP
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CRYSTAL STRUCTURE OF SPERMIDINE SYNTHASE FROM PLASMODIUM FALCIPARUM IN COMPLEX WITH SPERMIDINE
Descriptor:Spermidine synthase, SPERMIDINE, GLYCEROL, ...
Authors:Qiu, W., Dong, A., Ren, H., Wu, H., Zhao, Y., Schapira, M., Wasney, G., Vedadi, M., Lew, J., Kozieradzki, I., Edwards, A.M., Arrowsmith, C.H., Weigelt, J., Sundstrom, M., Plotnikov, A.N., Bochkarev, A., Hui, R., Structural Genomics Consortium (SGC)
Deposit date:2007-05-11
Release date:2007-05-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of spermidine synthase from Plasmodium falciparum in complex with spermidine.
To be Published
2PWQ
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CRYSTAL STRUCTURE OF A PUTATIVE UBIQUITIN CONJUGATING ENZYME FROM PLASMODIUM YOELII
Descriptor:Ubiquitin conjugating enzyme
Authors:Qiu, W., Dong, A., Hassanali, A., Lin, L., Brokx, S., Altamentova, S., Hills, T., Lew, J., Ravichandran, M., Kozieradzki, I., Zhao, Y., Schapira, M., Edwards, A.M., Arrowsmith, C.H., Weigelt, J., Sundstrom, M., Bochkarev, A., Hui, R., Structural Genomics Consortium (SGC)
Deposit date:2007-05-11
Release date:2007-05-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a putative ubiquitin conjugating enzyme from Plasmodium yoelii.
To be Published
3B7P
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CRYSTAL STRUCTURE OF SPERMIDINE SYNTHASE FROM PLASMODIUM FALCIPARUM IN COMPLEX WITH SPERMINE
Descriptor:Spermidine synthase, SPERMINE, 5'-DEOXY-5'-METHYLTHIOADENOSINE
Authors:Qiu, W., Dong, A., Ren, H., Wu, H., Zhao, Y., Schapira, M., Wasney, G., Vedadi, M., Lew, J., Kozieradzki, I., Edwards, A.M., Arrowsmith, C.H., Weigelt, J., Sundstrom, M., Plotnikov, A.N., Bochkarev, A., Hui, R., Structural Genomics Consortium (SGC)
Deposit date:2007-10-31
Release date:2007-11-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of spermidine synthase from Plasmodium falciparum in complex with spermine.
To be Published
3I3G
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CRYSTAL STRUCTURE OF TRYPANOSOMA BRUCEI N-ACETYLTRANSFERASE (TB11.01.2886) AT 1.86A
Descriptor:N-acetyltransferase
Authors:Qiu, W., Wernimont, A.K., Marino, K., Zhang, A.Z., Ma, D., Lin, Y.H., Mackenzie, F., Kozieradzki, I., Cossar, D., Zhao, Y., Schapira, M., Bochkarev, A., Arrowsmith, C.H., Bountra, C., Weigelt, J., Edwards, A.M., J Ferguson, M.A., Hui, R., Structural Genomics Consortium (SGC)
Deposit date:2009-06-30
Release date:2009-08-11
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal Structure Trypanosoma brucei N-acetyltransferase (Tb11.01.2886) at 1.86A
To be Published
3IU1
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CRYSTAL STRUCTURE OF HUMAN TYPE-I N-MYRISTOYLTRANSFERASE WITH BOUND MYRISTOYL-COA
Descriptor:Glycylpeptide N-tetradecanoyltransferase 1, TETRADECANOYL-COA
Authors:Qiu, W., Hutchinson, A., Wernimont, A., Lin, Y.-H., Kania, A., Ravichandran, M., Kozieradzki, I., Cossar, D., Schapira, M., Arrowsmith, C.H., Bountra, C., Weigelt, J., Edwards, A.M., Wyatt, P.G., Ferguson, M.A.J., Frearson, J.A., Brand, S.Y., Robinson, D.A., Bochkarev, A., Hui, R., Structural Genomics Consortium (SGC)
Deposit date:2009-08-29
Release date:2009-09-15
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA
To be Published
3IU2
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CRYSTAL STRUCTURE OF HUMAN TYPE-I N-MYRISTOYLTRANSFERASE WITH BOUND MYRISTOYL-COA AND INHIBITOR DDD90096
Descriptor:Glycylpeptide N-tetradecanoyltransferase 1, TETRADECANOYL-COA, (2R)-2-{4-hydroxy-5-methoxy-2-[3-(4-methylpiperazin-1-yl)propyl]phenyl}-3-pyridin-3-yl-1,3-thiazolidin-4-one
Authors:Qiu, W., Hutchinson, A., Wernimont, A., Lin, Y.-H., Kania, A., Ravichandran, M., Kozieradzki, I., Cossar, D., Schapira, M., Arrowsmith, C.H., Bountra, C., Weigelt, J., Edwards, A.M., Wyatt, P.G., Ferguson, M.A.J., Frearson, J.A., Brand, S.Y., Robinson, D.A., Bochkarev, A., Hui, R., Structural Genomics Consortium (SGC)
Deposit date:2009-08-29
Release date:2009-09-15
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD90096
To be Published
3IWE
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CRYSTAL STRUCTURE OF HUMAN TYPE-I N-MYRISTOYLTRANSFERASE WITH BOUND MYRISTOYL-COA AND INHIBITOR DDD85646
Descriptor:Glycylpeptide N-tetradecanoyltransferase 1, TETRADECANOYL-COA, 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
Authors:Qiu, W., Hutchinson, A., Wernimont, A., Lin, Y.-H., Kania, A., Ravichandran, M., Kozieradzki, I., Cossar, D., Schapira, M., Arrowsmith, C.H., Bountra, C., Weigelt, J., Edwards, A.M., Wyatt, P.G., Ferguson, M.A.J., Frearson, J.A., Brand, S.Y., Robinson, D.A., Bochkarev, A., Hui, R., Structural Genomics Consortium (SGC)
Deposit date:2009-09-02
Release date:2009-09-15
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD85646
To be Published
3JTK
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CRYSTAL STRUCTURE OF HUMAN TYPE-I N-MYRISTOYLTRANSFERASE WITH BOUND MYRISTOYL-COA AND INHIBITOR DDD90055
Descriptor:Glycylpeptide N-tetradecanoyltransferase 1, TETRADECANOYL-COA, (2R)-3-benzyl-2-(2-bromo-4-hydroxy-5-methoxyphenyl)-1,3-thiazolidin-4-one
Authors:Qiu, W., Hutchinson, A., Wernimont, A., Lin, Y.-H., Kania, A., Ravichandran, M., Kozieradzki, I., Cossar, D., Schapira, M., Arrowsmith, C.H., Bountra, C., Weigelt, J., Edwards, A.M., Wyatt, P.G., Ferguson, M.A.J., Frearson, J.A., Brand, S.Y., Robinson, D.A., Bochkarev, A., Hui, R., Structural Genomics Consortium (SGC)
Deposit date:2009-09-12
Release date:2009-09-22
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD90055
To be Published
3L19
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CRYSTAL STRUCTURE OF CALCIUM BINDING DOMAIN OF CPCDPK3, CGD5_820
Descriptor:Calcium/calmodulin dependent protein kinase with a kinase domain and 4 calmodulin like EF hands, CALCIUM ION, GLYCEROL, ...
Authors:Qiu, W., Hutchinson, A., Wernimont, A., Walker, J.R., Sullivan, H., Lin, Y.-H., Mackenzie, F., Kozieradzki, I., Cossar, D., Schapira, M., Senisterra, G., Vedadi, M., Arrowsmith, C.H., Bountra, C., Weigelt, J., Edwards, A.M., Bochkarev, A., Hui, R., Amani, M., Structural Genomics Consortium (SGC)
Deposit date:2009-12-11
Release date:2009-12-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal structure of calcium binding domain of CpCDPK3, cgd5_820
To be Published
3LIJ
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CRYSTAL STRUCTURE OF FULL LENGTH CPCDPK3 (CGD5_820) IN COMPLEX WITH CA2+ AND AMPPNP
Descriptor:Calcium/calmodulin dependent protein kinase with a kinase domain and 4 calmodulin like EF hands, CALCIUM ION, MAGNESIUM ION, ...
Authors:Qiu, W., Hutchinson, A., Wernimont, A., Walker, J.R., Sullivan, H., Lin, Y.-H., Mackenzie, F., Kozieradzki, I., Cossar, D., Schapira, M., Senisterra, G., Vedadi, M., Arrowsmith, C.H., Bountra, C., Weigelt, J., Edwards, A.M., Bochkarev, A., Hui, R., Amani, M., Structural Genomics Consortium (SGC)
Deposit date:2010-01-25
Release date:2010-02-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of full length CpCDPK3 (cgd5_820) in complex with Ca2+ and AMPPNP
To be Published
3MES
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CRYSTAL STRUCTURE OF CHOLINE KINASE FROM CRYPTOSPORIDIUM PARVUM IOWA II, CGD3_2030
Descriptor:Choline kinase, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Qiu, W., Wernimont, A., Hills, T., Lew, J., Artz, J.D., Xiao, T., Allali-Hassani, A., Vedadi, M., Kozieradzki, I., Cossar, D., Bountra, C., Weigelt, J., Arrowsmith, C.H., Edwards, A.M., Hui, R., Ma, D., Structural Genomics Consortium (SGC)
Deposit date:2010-03-31
Release date:2010-04-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of choline kinase from Cryptosporidium parvum Iowa II, cgd3_2030
TO BE PUBLISHED
3NA8
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CRYSTAL STRUCTURE OF A PUTATIVE DIHYDRODIPICOLINATE SYNTHETASE FROM PSEUDOMONAS AERUGINOSA
Descriptor:putative dihydrodipicolinate synthetase, MAGNESIUM ION, D-MALATE
Authors:Qiu, W., Lam, R., Romanov, V., Jones, K., Pai, E.F., Chirgadze, N.Y.
Deposit date:2010-06-01
Release date:2011-06-01
Last modified:2012-02-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of a putative dihydrodipicolinate synthetase from Pseudomonas aeruginosa
To be Published
3NTV
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CRYSTAL STRUCTURE OF A PUTATIVE CAFFEOYL-COA O-METHYLTRANSFERASE FROM STAPHYLOCOCCUS AUREUS
Descriptor:MW1564 protein, SULFATE ION
Authors:Qiu, W., Lam, R., Romanov, V., Jones, K., Pai, E.F., Chirgadze, N.Y.
Deposit date:2010-07-05
Release date:2011-07-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of a putative caffeoyl-CoA O-methyltransferase from Staphylococcus aureus
TO BE PUBLISHED
3NUR
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CRYSTAL STRUCTURE OF A PUTATIVE AMIDOHYDROLASE FROM STAPHYLOCOCCUS AUREUS
Descriptor:Amidohydrolase, CALCIUM ION
Authors:Qiu, W., Lam, R., Romanov, V., Lam, K., Soloveychik, M., Pai, E.F., Chirgadze, N.Y.
Deposit date:2010-07-07
Release date:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of a putative amidohydrolase from Staphylococcus aureus
To be Published
4GWF
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CRYSTAL STRUCTURE OF THE TYROSINE PHOSPHATASE SHP-2 WITH Y279C MUTATION
Descriptor:Tyrosine-protein phosphatase non-receptor type 11, 1,2-ETHANEDIOL, GLYCEROL, ...
Authors:Qiu, W., Lin, A., Hutchinson, A., Romanov, V., Ruzanov, M., Thompson, C., Lam, K., Kisselman, G., Battaile, K., Chirgadze, N.Y.
Deposit date:2012-09-03
Release date:2013-09-04
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the tyrosine phosphatase SHP-2 with Y279C mutation
TO BE PUBLISHED
4H1O
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CRYSTAL STRUCTURE OF THE TYROSINE PHOSPHATASE SHP-2 WITH D61G MUTATION
Descriptor:Tyrosine-protein phosphatase non-receptor type 11, 1,2-ETHANEDIOL
Authors:Qiu, W., Lin, A., Hutchinson, A., Romanov, V., Ruzanov, M., Thompson, C., Lam, K., Kisselman, G., Battaile, K., Chirgadze, N.Y.
Deposit date:2012-09-11
Release date:2013-09-11
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the tyrosine phosphatase SHP-2 with D61G mutation
To be Published
4H34
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CRYSTAL STRUCTURE OF THE TYROSINE PHOSPHATASE SHP-2 WITH Q506P MUTATION
Descriptor:Tyrosine-protein phosphatase non-receptor type 11, 1,2-ETHANEDIOL, GLYCEROL
Authors:Qiu, W., Lin, A., Hutchinson, A., Romanov, V., Ruzanov, M., Thompson, C., Lam, K., Kisselman, G., Battaile, K., Chirgadze, N.Y.
Deposit date:2012-09-13
Release date:2013-10-02
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the tyrosine phosphatase SHP-2 with Q506P mutation
To be Published
4JS8
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CRYSTAL STRUCTURE OF TTK KINASE DOMAIN WITH AN INHIBITOR: 401348
Descriptor:Dual specificity protein kinase TTK, 4-(cyclohexylmethoxy)-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-2H-indazole, SULFATE ION, ...
Authors:Qiu, W., Plotnikov, A.N., Plotnikova, O., Feher, M., Awrey, D.E., Chirgadze, N.Y.
Deposit date:2013-03-22
Release date:2014-03-26
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal structure of TTK kinase domain with an inhibitor: 401348
To be Published
4JT3
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CRYSTAL STRUCTURE OF TTK KINASE DOMAIN WITH AN INHIBITOR: 400740
Descriptor:Dual specificity protein kinase TTK, PHOSPHATE ION, 2-phenyl-N-[3-(3-sulfamoylphenyl)-2H-indazol-5-yl]acetamide, ...
Authors:Qiu, W., Harris-Brandts, M., Feher, M., Awrey, D.E., Chirgadze, N.Y.
Deposit date:2013-03-22
Release date:2014-03-26
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of TTK kinase domain with an inhibitor: 400740
To be Published
4JXF
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CRYSTAL STRUCTURE OF PLK4 KINASE WITH AN INHIBITOR: 400631 ((1R,2S)-2-{3-[(E)-2-{4-[(DIMETHYLAMINO)METHYL]PHENYL}ETHENYL]-2H-INDAZOL-6-YL}-5'-METHOXYSPIRO[CYCLOPROPANE-1,3'-INDOL]-2'(1'H)-ONE)
Descriptor:Serine/threonine-protein kinase PLK4, (1R,2S)-2-{3-[(E)-2-{4-[(dimethylamino)methyl]phenyl}ethenyl]-2H-indazol-6-yl}-5'-methoxyspiro[cyclopropane-1,3'-indol]-2'(1'H)-one, 1,2-ETHANEDIOL
Authors:Qiu, W., Plotnikova, O., Feher, M., Awrey, D.E., Chirgadze, N.Y.
Deposit date:2013-03-28
Release date:2014-04-02
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of PLK4 Kinase with an inhibitor: 400631
To be Published
4NWF
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CRYSTAL STRUCTURE OF THE TYROSINE PHOSPHATASE SHP-2 WITH N308D MUTATION
Descriptor:Tyrosine-protein phosphatase non-receptor type 11, 1,2-ETHANEDIOL, GLYCEROL
Authors:Qiu, W., Lin, A., Hutchinson, A., Romanov, V., Ruzanov, M., Thompson, C., Lam, K., Kisselman, G., Battalie, K., Chirgadze, N.Y.
Deposit date:2013-12-06
Release date:2014-12-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the tyrosine phosphatase SHP-2 with N308D mutation
To be Published