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2WEI
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CRYSTAL STRUCTURE OF THE KINASE DOMAIN OF CRYPTOSPORIDIUM PARVUM CALCIUM DEPENDENT PROTEIN KINASE IN COMPLEX WITH 3-MB-PP1
Descriptor:CALMODULIN-DOMAIN PROTEIN KINASE 1, PUTATIVE, 1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Authors:Roos, A.K., King, O., Chaikuad, A., Zhang, C., Shokat, K.M., Wernimont, A.K., Artz, J.D., Lin, L., MacKenzie, F.I., Finerty, P.J., Vedadi, M., Schapira, M., Indarte, M., Kozieradzki, I., Pike, A.C.W., Fedorov, O., Doyle, D., Muniz, J., Arrowsmith, C.H., Weigelt, J., Edwards, A., Bountra, C., von Delft, F., Heightman, T., Hui, R.
Deposit date:2009-03-31
Release date:2009-04-28
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The Cryptosporidium Parvum Kinome.
Bmc Genomics, 12, 2011
2WM3
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CRYSTAL STRUCTURE OF NMRA-LIKE FAMILY DOMAIN CONTAINING PROTEIN 1 IN COMPLEX WITH NIFLUMIC ACID
Descriptor:NMRA-LIKE FAMILY DOMAIN CONTAINING PROTEIN 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID, ...
Authors:Bhatia, C., Yue, W.W., Niesen, F., Pilka, E., Ugochukwu, E., Savitsky, P., Hozjan, V., Roos, A.K., Filippakopoulos, P., von Delft, F., Heightman, T., Arrowsmith, C., Weigelt, J., Edwards, A., Bountra, C., Oppermann, U.
Deposit date:2009-06-29
Release date:2009-08-04
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Nmra-Like Family Domain Containing Protein 1 in Complex with Niflumic Acid
To be Published
2WMD
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CRYSTAL STRUCTURE OF NMRA-LIKE FAMILY DOMAIN CONTAINING PROTEIN 1 IN COMPLEX WITH NADP AND 2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID
Descriptor:NMRA-LIKE FAMILY DOMAIN CONTAINING PROTEIN 1, 2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Bhatia, C., Pilka, E., Niesen, F., Yue, W.W., Ugochukwu, E., Savitsky, P., Hozjan, V., Roos, A.K., Filippakopoulos, P., von Delft, F., Heightman, T., Arrowsmith, C., Weigelt, J., Edwards, A., Bountra, C., Oppermann, U.
Deposit date:2009-06-30
Release date:2009-07-28
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Nmra-Like Family Domain Containing Protein 1
To be Published
5LSU
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STRUCTURE OF THE EPIGENETIC ONCOGENE MMSET AND INHIBITION BY N-ALKYL SINEFUNGIN DERIVATIVES
Descriptor:Histone-lysine N-methyltransferase NSD2, ZINC ION, S-ADENOSYLMETHIONINE
Authors:Tisi, D., Pathuri, P., Heightman, T.
Deposit date:2016-09-05
Release date:2016-10-05
Last modified:2016-12-21
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
5LSX
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STRUCTURE OF THE EPIGENETIC ONCOGENE MMSET AND INHIBITION BY N-ALKYL SINEFUNGIN DERIVATIVES
Descriptor:Histone-lysine N-methyltransferase SETD2, ZINC ION, [(2~{R},5~{S})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(phenylmethyl)azanium
Authors:Tisi, D., Pathuri, P., Heightman, T.
Deposit date:2016-09-05
Release date:2016-10-05
Last modified:2016-12-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
5LSY
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STRUCTURE OF THE EPIGENETIC ONCOGENE MMSET AND INHIBITION BY N-ALKYL SINEFUNGIN DERIVATIVES
Descriptor:Histone-lysine N-methyltransferase SETD2, ZINC ION, THIOCYANATE ION, ...
Authors:Tisi, D., Pathuri, P., Heightman, T.
Deposit date:2016-09-05
Release date:2016-10-12
Last modified:2016-12-21
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
5LSZ
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STRUCTURE OF THE EPIGENETIC ONCOGENE MMSET AND INHIBITION BY N-ALKYL SINEFUNGIN DERIVATIVES
Descriptor:Histone-lysine N-methyltransferase SETD2, ZINC ION, THIOCYANATE ION, ...
Authors:Tisi, D., Pathuri, P., Heightman, T.
Deposit date:2016-09-05
Release date:2016-10-05
Last modified:2016-12-21
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
5LT6
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STRUCTURE OF THE EPIGENETIC ONCOGENE MMSET AND INHIBITION BY N-ALKYL SINEFUNGIN DERIVATIVES
Descriptor:Histone-lysine N-methyltransferase SETD2, ZINC ION, THIOCYANATE ION, ...
Authors:Tisi, D., Pathuri, P., Heightman, T.
Deposit date:2016-09-06
Release date:2016-10-05
Last modified:2016-12-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
5LT7
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STRUCTURE OF THE EPIGENETIC ONCOGENE MMSET AND INHIBITION BY N-ALKYL SINEFUNGIN DERIVATIVES
Descriptor:Histone-lysine N-methyltransferase SETD2, ZINC ION, THIOCYANATE ION, ...
Authors:Tisi, D., Pathuri, P., Heightman, T.
Deposit date:2016-09-06
Release date:2016-10-05
Last modified:2016-12-21
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
5LT8
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STRUCTURE OF THE EPIGENETIC ONCOGENE MMSET AND INHIBITION BY N-ALKYL SINEFUNGIN DERIVATIVES
Descriptor:Histone-lysine N-methyltransferase SETD2, ZINC ION, SINEFUNGIN
Authors:Tisi, D., Pathuri, P., Heightman, T.
Deposit date:2016-09-06
Release date:2016-10-05
Last modified:2016-12-21
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
2WU6
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CRYSTAL STRUCTURE OF THE HUMAN CLK3 IN COMPLEX WITH DKI
Descriptor:DUAL SPECIFICITY PROTEIN KINASE CLK3, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, SULFATE ION, ...
Authors:Muniz, J.R.C., Fedorov, O., King, O., Filippakopoulos, P., Bullock, A.N., Philips, C., Heightman, T., Ugochukwu, E., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Knapp, S.
Deposit date:2009-09-30
Release date:2009-10-20
Last modified:2011-12-07
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Specific Clk Inhibitors from a Novel Chemotype for Regulation of Alternative Splicing.
Chem.Biol, 18, 2011
2WU7
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CRYSTAL STRUCTURE OF THE HUMAN CLK3 IN COMPLEX WITH V25
Descriptor:DUAL SPECIFICITY PROTEIN KINASE CLK3, ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate, SULFATE ION, ...
Authors:Muniz, J.R.C., Fedorov, O., King, O., Filippakopoulos, P., Bullock, A.N., Phillips, C., Heightman, T., Ugochukwu, E., von Delft, F., Arrowsmith, C.H., Bracher, F., Huber, K., Edwards, A.M., Weigelt, J., Bountra, C., Knapp, S.
Deposit date:2009-09-30
Release date:2009-10-20
Last modified:2011-12-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Specific Clk Inhibitors from a Novel Chemotype for Regulation of Alternative Splicing.
Chem.Biol, 18, 2011
4NR9
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CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN BAZ2B IN COMPLEX WITH ACETYLATED LYSINE
Descriptor:Bromodomain adjacent to zinc finger domain protein 2B, 1,2-ETHANEDIOL, N(6)-ACETYLLYSINE
Authors:Chaikuad, A., Felletar, I., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2013-11-26
Release date:2013-12-25
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.
J.Med.Chem., 56, 2013
4NRA
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CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN BAZ2B IN COMPLEX WITH COMPOUND-6 E11322
Descriptor:Bromodomain adjacent to zinc finger domain protein 2B, 1,2-ETHANEDIOL, 1-(8-chloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone
Authors:Chaikuad, A., Felletar, I., Ferguson, F.M., Filippakopoulos, P., Fedorov, O., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2013-11-26
Release date:2013-12-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.
J.Med.Chem., 56, 2013
4NRB
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CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN BAZ2B IN COMPLEX WITH COMPOUND-1 N01197
Descriptor:Bromodomain adjacent to zinc finger domain protein 2B, N-methyl-2-(tetrahydro-2H-pyran-4-yloxy)benzamide, 1,2-ETHANEDIOL
Authors:Muniz, J.R.C., Felletar, I., Chaikuad, A., Filippakopoulos, P., Ferguson, F.M., Fedorov, O., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Ciulli, A., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2013-11-26
Release date:2013-12-25
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.
J.Med.Chem., 56, 2013
4NRC
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CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN BAZ2B IN COMPLEX WITH COMPOUND-3 N01186
Descriptor:Bromodomain adjacent to zinc finger domain protein 2B, N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide, 1,2-ETHANEDIOL, ...
Authors:Muniz, J.R.C., Felletar, I., Chaikuad, A., Filippakopoulos, P., Ferguson, F.M., Fedorov, O., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Ciulli, A., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2013-11-26
Release date:2013-12-25
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.
J.Med.Chem., 56, 2013