Author results

2GWH
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HUMAN SULFOTRANFERASE SULT1C2 IN COMPLEX WITH PAP AND PENTACHLOROPHENOL
Descriptor:Sulfotransferase 1C2, ADENOSINE-3'-5'-DIPHOSPHATE, PENTACHLOROPHENOL, ...
Authors:Tempel, W., Pan, P.W., Dombrovski, L., Allali-Hassani, A., Vedadi, M., Loppnau, P., Weigelt, J., Sundstrom, M., Arrowsmith, C.H., Edwards, A.M., Bochkarev, A., Plotnikov, A.N., Structural Genomics Consortium (SGC)
Deposit date:2006-05-04
Release date:2006-05-16
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and chemical profiling of the human cytosolic sulfotransferases.
Plos Biol., 5, 2007
3G2G
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S437Y MUTANT OF HUMAN MUSCLE PYRUVATE KINASE, ISOFORM M2
Descriptor:Pyruvate kinase isozymes M1/M2, SULFATE ION, UNKNOWN ATOM OR ION
Authors:Hong, B., Dimov, S., Allali-Hassani, A., Tempel, W., MacKenzie, F., Arrowsmith, C.H., Edwards, A.M., Bountra, c., Weigelt, J., Bochkarev, A., Vedadi, M., Park, H., Structural Genomics Consortium (SGC)
Deposit date:2009-01-31
Release date:2009-03-03
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:S437Y Mutant of human muscle pyruvate kinase, isoform M2
To be Published
2PQW
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CRYSTAL STRUCTURE OF L3MBTL1 IN COMPLEX WITH H4K20ME2 (RESIDUES 17-25), TRIGONAL FORM
Descriptor:Lethal(3)malignant brain tumor-like protein, Histone H4, ACETATE ION
Authors:Allali-Hassani, A., Liu, Y., Herzanych, N., Ouyang, H., Mackenzie, F., Crombet, L., Loppnau, P., Kozieradzki, I., Vedadi, M., Weigelt, J., Sundstrom, M., Arrowsmith, C.H., Edwards, A.M., Bochkarev, A., Min, J.R., Structural Genomics Consortium (SGC)
Deposit date:2007-05-02
Release date:2007-07-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:L3MBTL1 recognition of mono- and dimethylated histones.
Nat.Struct.Mol.Biol., 14, 2007
2RJC
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CRYSTAL STRUCTURE OF L3MBTL1 PROTEIN IN COMPLEX WITH MES
Descriptor:Lethal(3)malignant brain tumor-like protein, SULFATE ION, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Allali-Hassani, A., Liu, Y., Herzanych, N., Ouyang, H., Mackenzie, F., Crombet, L., Loppnau, P., Kozieradzki, I., Vedadi, M., Weigelt, J., Sundstrom, M., Arrowsmith, C.H., Edwards, A.M., Bochkarev, A., Min, J.R., Structural Genomics Consortium (SGC)
Deposit date:2007-10-14
Release date:2007-10-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:L3MBTL1 recognition of mono- and dimethylated histones.
Nat.Struct.Mol.Biol., 14, 2007
2RJD
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CRYSTAL STRUCTURE OF L3MBTL1 PROTEIN
Descriptor:Lethal(3)malignant brain tumor-like protein
Authors:Allali-Hassani, A., Liu, Y., Herzanych, N., Ouyang, H., Mackenzie, F., Crombet, L., Loppnau, P., Kozieradzki, I., Vedadi, M., Weigelt, J., Sundstrom, M., Arrowsmith, C.H., Edwards, A.M., Bochkarev, A., Min, J.R., Structural Genomics Consortium (SGC)
Deposit date:2007-10-14
Release date:2007-10-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:L3MBTL1 recognition of mono- and dimethylated histones.
Nat.Struct.Mol.Biol., 14, 2007
2RJE
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CRYSTAL STRUCTURE OF L3MBTL1 IN COMPLEX WITH H4K20ME2 (RESIDUES 17-25), ORTHORHOMBIC FORM II
Descriptor:Lethal(3)malignant brain tumor-like protein, Histone H4, CHLORIDE ION
Authors:Allali-Hassani, A., Liu, Y., Herzanych, N., Ouyang, H., Mackenzie, F., Crombet, L., Loppnau, P., Kozieradzki, I., Vedadi, M., Weigelt, J., Sundstrom, M., Arrowsmith, C.H., Edwards, A.M., Bochkarev, A., Min, J.R., Structural Genomics Consortium (SGC)
Deposit date:2007-10-14
Release date:2007-10-30
Last modified:2013-09-25
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:L3MBTL1 recognition of mono- and dimethylated histones.
Nat.Struct.Mol.Biol., 14, 2007
2RJF
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CRYSTAL STRUCTURE OF L3MBTL1 IN COMPLEX WITH H4K20ME2 (RESIDUES 12-30), ORTHORHOMBIC FORM I
Descriptor:Lethal(3)malignant brain tumor-like protein, Histone H4
Authors:Allali-Hassani, A., Liu, Y., Herzanych, N., Ouyang, H., Mackenzie, F., Crombet, L., Loppnau, P., Kozieradzki, I., Vedadi, M., Weigelt, J., Sundstrom, M., Arrowsmith, C.H., Edwards, A.M., Bochkarev, A., Min, J.R., Structural Genomics Consortium (SGC)
Deposit date:2007-10-14
Release date:2007-10-30
Last modified:2013-09-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:L3MBTL1 recognition of mono- and dimethylated histones.
Nat.Struct.Mol.Biol., 14, 2007
3RJW
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CRYSTAL STRUCTURE OF HISTONE LYSINE METHYLTRANSFERASE G9A WITH AN INHIBITOR
Descriptor:Histone-lysine N-methyltransferase EHMT2, ZINC ION, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Dong, A., Wasney, G.A., Tempel, W., Liu, F., Barsyte, D., Allali-Hassani, A., Chen, X., Chau, I., Hajian, T., Senisterra, G., Chavda, N., Arora, K., Siarheyeva, A., Kireev, D.B., Herold, J.M., Bochkarev, A., Bountra, C., Weigelt, J., Edwards, A.M., Frye, S.V., Arrowsmith, C.H., Brown, P.J., Jin, J., Vedadi, M., Structural Genomics Consortium (SGC)
Deposit date:2011-04-15
Release date:2011-05-04
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:A chemical probe selectively inhibits G9a and GLP methyltransferase activity in cells.
Nat.Chem.Biol., 7, 2011
2GNQ
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STRUCTURE OF WDR5
Descriptor:WD-repeat protein 5, CHLORIDE ION
Authors:Min, J., Schuetz, A., Allali-Hassani, A., Loppnau, P., Vedadi, M., Weigelt, J., Sundstrom, M., Edwards, A.M., Arrowsmith, C.H., Bochkarev, A., Plotnikov, A.N., Structural Genomics Consortium (SGC)
Deposit date:2006-04-10
Release date:2006-06-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for molecular recognition and presentation of histone H3 By WDR5.
Embo J., 25, 2006
2H9L
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WDR5DELTA23
Descriptor:WD-repeat protein 5, SULFATE ION
Authors:Min, J.R., Schuetz, A., Allali-Hassani, A., Martin, F., Loppnau, P., Vedadi, M., Weigelt, J., Sundstrom, M., Edwards, A.M., Arrowsmith, C.H., Bochkarev, A., Plotnikov, A.N., Structural Genomics Consortium (SGC)
Deposit date:2006-06-10
Release date:2006-08-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for molecular recognition and presentation of histone H3 By WDR5.
Embo J., 25, 2006
2H9M
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WDR5 IN COMPLEX WITH UNMODIFIED H3K4 PEPTIDE
Descriptor:WD-repeat protein 5, H3 histone
Authors:Min, J.R., Schuetz, A., Allali-Hassani, A., Martin, F., Loppnau, P., Vedadi, M., Weigelt, J., Sundstrom, M., Edwards, A.M., Arrowsmith, C.H., Bochkarev, A., Plotnikov, A.N., Structural Genomics Consortium (SGC)
Deposit date:2006-06-10
Release date:2006-08-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for molecular recognition and presentation of histone H3 By WDR5.
Embo J., 25, 2006
2H9N
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WDR5 IN COMPLEX WITH MONOMETHYLATED H3K4 PEPTIDE
Descriptor:WD-repeat protein 5, H3 histone
Authors:Min, J.R., Schuetz, A., Allali-Hassani, A., Martin, F., Loppnau, P., Vedadi, M., Weigelt, J., Sundstrom, M., Edwards, A.M., Arrowsmith, C.H., Bochkarev, A., Plotnikov, A.N., Structural Genomics Consortium (SGC)
Deposit date:2006-06-10
Release date:2006-08-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for molecular recognition and presentation of histone H3 By WDR5.
Embo J., 25, 2006
2H9P
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WDR5 IN COMPLEX WITH TRIMETHYLATED H3K4 PEPTIDE
Descriptor:WD-repeat protein 5, H3 histone
Authors:Min, J.R., Schuetz, A., Allali-Hassani, A., Martin, F., Loppnau, P., Vedadi, M., Weigelt, J., Sundstrom, M., Edwards, A.M., Arrowsmith, C.H., Bochkarev, A., Plotnikov, A.N., Structural Genomics Consortium (SGC)
Deposit date:2006-06-10
Release date:2006-08-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural basis for molecular recognition and presentation of histone H3 By WDR5.
Embo J., 25, 2006
2NYR
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CRYSTAL STRUCTURE OF HUMAN SIRTUIN HOMOLOG 5 IN COMPLEX WITH SURAMIN
Descriptor:NAD-dependent deacetylase sirtuin-5, ZINC ION, 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFONIC ACID
Authors:Min, J.R., Antoshenko, T., Allali-Hassani, A., Dong, A., Weigelt, J., Sundstrom, M., Arrowsmith, C.H., Edwards, A.M., Bochkarev, A., Plotnikov, A.N., Structural Genomics Consortium (SGC)
Deposit date:2006-11-21
Release date:2006-12-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural basis of inhibition of the human NAD+-dependent deacetylase SIRT5 by suramin.
Structure, 15, 2007
2O9K
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WDR5 IN COMPLEX WITH DIMETHYLATED H3K4 PEPTIDE
Descriptor:WD repeat protein 5, H3 HISTONE
Authors:Min, J.R., Schuetz, A., Allali-Hassani, A., Martin, F., Loppnau, P., Vedadi, M., Weigelt, J., Sundstrom, M., Edwards, A.M., Arrowsmith, C.H., Bochkarev, A., Plotnikov, A.N., Structural Genomics Consortium (SGC)
Deposit date:2006-12-13
Release date:2006-12-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis for Molecular Recognition and Presentation of Histone H3 by Wdr5.
Embo J., 25, 2006
3C0Y
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CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF HUMAN HISTONE DEACETYLASE HDAC7
Descriptor:Histone deacetylase 7a, ZINC ION, POTASSIUM ION
Authors:Min, J.R., Schuetz, A., Allali-Hassani, A., Loppnau, P., Kwiatkowski, N.P., Mazitschek, R., Weigelt, J., Sundstrom, M., Arrowsmith, C.H., Edwards, A.M., Vedadi, M., Bochkarev, A., Plotnikov, A.N., Structural Genomics Consortium (SGC)
Deposit date:2008-01-21
Release date:2008-02-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human HDAC7 harbors a class IIa histone deacetylase-specific zinc binding motif and cryptic deacetylase activity.
J.Biol.Chem., 283, 2008
3CEY
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CRYSTAL STRUCTURE OF L3MBTL2
Descriptor:Lethal(3)malignant brain tumor-like 2 protein
Authors:Nady, N., Guo, Y., Pan, P., Allali-Hassani, A., Qi, C., Zhu, H., Dong, A., Mackenzie, F., Crombet, L., Loppnau, P., Kozieradzki, I., Vedadi, M., Edwards, A.M., Weigelt, J., Bountra, C., Arrowsmith, C.H., Bochkarev, A., Read, R., Min, J., Structural Genomics Consortium (SGC)
Deposit date:2008-02-29
Release date:2008-05-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Methylation-state-specific recognition of histones by the MBT repeat protein L3MBTL2.
Nucleic Acids Res., 37, 2009
3F70
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CRYSTAL STRUCTURE OF L3MBTL2-H4K20ME1 COMPLEX
Descriptor:Lethal(3)malignant brain tumor-like 2 protein, N-METHYL-LYSINE
Authors:Guo, Y., Qi, C., Allali-Hassani, A., Pan, P., Zhu, H., Dong, A., Mackenzie, F., Crombet, L., Loppnau, P., Kozieradzki, I., Vedadi, M., Edwards, A.M., Weigelt, J., Bountra, C., Arrowsmith, C.H., Botchkarev, A., Read, R., Min, J., Structural Genomics Consortium (SGC)
Deposit date:2008-11-07
Release date:2009-01-06
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Methylation-state-specific recognition of histones by the MBT repeat protein L3MBTL2.
Nucleic Acids Res., 37, 2009
3GG8
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CRYSTAL STRUCTURE OF THE TOXOPLASMA GONDII PYRUVATE KINASE N TERMINAL TRUNCATED
Descriptor:Pyruvate kinase, SULFATE ION, GLYCEROL
Authors:Wernimont, A.K., Lew, J., Allali-Hassani, A., Vedadi, M., Bochkarev, A., Arrowsmith, C.H., Bountra, C., Weigelt, J., Edwards, A.M., Hills, T., Schapira, M., Hui, R., Pizarro, J.C., Structural Genomics Consortium (SGC)
Deposit date:2009-02-27
Release date:2009-05-26
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:The crystal structure of Toxoplasma gondii pyruvate kinase 1.
Plos One, 5, 2010
3K5K
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DISCOVERY OF A 2,4-DIAMINO-7-AMINOALKOXY-QUINAZOLINE AS A POTENT INHIBITOR OF HISTONE LYSINE METHYLTRANSFERASE, G9A
Descriptor:Histone-lysine N-methyltransferase, H3 lysine-9 specific 3, ZINC ION, ...
Authors:Dong, A., Wasney, G.A., Liu, F., Chen, X., Allali-Hassani, A., Senisterra, G., Chau, I., Bountra, C., Weigelt, J., Edwards, A.M., Arrowsmith, C.H., Frye, S.V., Bochkarev, A., Brown, P.J., Jin, J., Vedadi, M., Structural Genomics Consortium (SGC)
Deposit date:2009-10-07
Release date:2009-11-10
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of a 2,4-diamino-7-aminoalkoxyquinazoline as a potent and selective inhibitor of histone lysine methyltransferase G9a.
J.Med.Chem., 52, 2009
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
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
3SMQ
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CRYSTAL STRUCTURE OF PROTEIN ARGININE METHYLTRANSFERASE 3
Descriptor:Protein arginine N-methyltransferase 3, 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea, CHLORIDE ION, ...
Authors:Dobrovetsky, E., Dong, A., Walker, J.R., Siarheyeva, A., Senisterra, G., Wasney, G.A., Smil, D., Bolshan, Y., Nguyen, K.T., Allali-Hassani, A., Hajian, T., Poda, G., Bountra, C., Weigelt, J., Edwards, A.M., Al-Awar, R., Brown, P.J., Schapira, M., Arrowsmith, C.H., Vedadi, M., Structural Genomics Consortium (SGC)
Deposit date:2011-06-28
Release date:2011-08-31
Last modified:2013-07-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:An allosteric inhibitor of protein arginine methyltransferase 3.
Structure, 20, 2012
2QOQ
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HUMAN EPHA3 KINASE AND JUXTAMEMBRANE REGION, BASE, AMP-PNP BOUND STRUCTURE
Descriptor:Ephrin receptor, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Davis, T., Walker, J.R., Newman, E.M., Mackenzie, F., Butler-Cole, C., Weigelt, J., Sundstrom, M., Arrowsmith, C.H., Edwards, A.M., Bochkarev, A., Dhe-Paganon, S., Loppnau, P., Allali-Hassani, A., Structural Genomics Consortium (SGC)
Deposit date:2007-07-20
Release date:2007-10-02
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3).
Structure, 16, 2008
3HZT
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CRYSTAL STRUCTURE OF TOXOPLASMA GONDII CDPK3, TGME49_105860
Descriptor:Calcium-dependent protein kinase 3, MAGNESIUM ION, GLYCEROL, ...
Authors:Wernimont, A.K., Artz, J.D., Finnerty, P., Wasney, G., Allali-Hassani, A., Vedadi, M., Bochkarev, A., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Weigelt, J., Hui, R., Amani, M., Structural Genomics Consortium (SGC)
Deposit date:2009-06-24
Release date:2009-07-21
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of apicomplexan calcium-dependent protein kinases reveal mechanism of activation by calcium.
Nat.Struct.Mol.Biol., 17, 2010