Author results

3GP0
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CRYSTAL STRUCTURE OF HUMAN MITOGEN ACTIVATED PROTEIN KINASE 11 (P38 BETA) IN COMPLEX WITH NILOTINIB
Descriptor:Mitogen-activated protein kinase 11, Nilotinib, 1,2-ETHANEDIOL, ...
Authors:Filippakopoulos, P., Barr, A., Fedorov, O., Keates, T., Soundararajan, M., Elkins, J., Salah, E., Burgess-Brown, N., Ugochukwu, E., Pike, A.C.W., Muniz, J., Roos, A., Chaikuad, A., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2009-03-20
Release date:2009-04-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Human Mitogen Activated Protein Kinase 11 (p38 beta) in complex with Nilotinib
To be Published
3MDZ
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CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE VII [ISOFORM 1], CA7
Descriptor:Carbonic anhydrase 7, ZINC ION, 6-ethoxy-1,3-benzothiazole-2-sulfonamide, ...
Authors:Ugochukwu, E., Shafqat, N., Pilka, E., Chaikuad, A., Krojer, T., Muniz, J., Kim, J., Bray, J., Bountra, C., Arrowsmith, C.H., Weigelt, J., Edwards, A., von Delft, F., Carpenter, E.P., Yue, W.W., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2010-03-31
Release date:2010-06-23
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Crystal Structure of Human Carbonic Anhydrase VII [isoform 1], CA7
to be published
3S91
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD3 IN COMPLEX WITH THE INHIBITOR JQ1
Descriptor:Bromodomain-containing protein 3, (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, ISOPROPYL ALCOHOL
Authors:Filippakopoulos, P., Picaud, S., Qi, J., Keates, T., Felletar, I., Fedorov, O., Muniz, J., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Bradner, J.E., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2011-05-31
Release date:2011-06-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal Structure of the first bromodomain of human BRD3 in complex with the inhibitor JQ1
To be Published
3S92
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CRYSTAL STRUCTURE OF THE SECOND BROMODOMAIN OF HUMAN BRD3 IN COMPLEX WITH THE INHIBITOR JQ1
Descriptor:Bromodomain-containing protein 3, (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, 1,2-ETHANEDIOL
Authors:Filippakopoulos, P., Picaud, S., Qi, J., Keates, T., Felletar, I., Fedorov, O., Muniz, J., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Bradner, J.E., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2011-05-31
Release date:2011-06-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Crystal Structure of the second bromodomain of human BRD3 in complex with the inhibitor JQ1
To be Published
2XIJ
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CRYSTAL STRUCTURE OF HUMAN METHYLMALONYL-COA MUTASE IN COMPLEX WITH ADENOSYLCOBALAMIN
Descriptor:METHYLMALONYL-COA MUTASE, MITOCHONDRIAL, 5'-DEOXYADENOSINE, ...
Authors:Yue, W.W., Froese, D.S., Kochan, G., Chaikuad, A., Krojer, T., Muniz, J., Vollmar, M., Arrowsmith, C., Weigelt, J., Edwards, A., Bountra, C., Oppermann, U.
Deposit date:2010-06-30
Release date:2010-09-29
Last modified:2012-10-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of the Human Gtpase Mmaa and Vitamin B12-Dependent Methylmalonyl-Coa Mutase and Insight Into Their Complex Formation.
J.Biol.Chem., 285, 2010
2XIQ
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CRYSTAL STRUCTURE OF HUMAN METHYLMALONYL-COA MUTASE IN COMPLEX WITH ADENOSYLCOBALAMIN AND MALONYL-COA
Descriptor:METHYLMALONYL-COA MUTASE, MITOCHONDRIAL, COBALAMIN, ...
Authors:Yue, W.W., Froese, D.S., Kochan, G., Chaikuad, A., Krojer, T., Muniz, J., Ugochukwu, E., Arrowsmith, C., Weigelt, J., Edwards, A., Bountra, C., Oppermann, U.
Deposit date:2010-06-30
Release date:2010-09-29
Last modified:2012-10-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of the Human Gtpase Mmaa and Vitamin B12-Dependent Methylmalonyl-Coa Mutase and Insight Into Their Complex Formation.
J.Biol.Chem., 285, 2010
3FKC
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CRYSTAL STRUCTURE OF HUMAN ZINC FINGER AND BTB DOMAIN CONTAINING 33
Descriptor:Transcriptional regulator Kaiso
Authors:Filippakopoulos, P., Bullock, A., Keates, T., Burgess-Brown, N., Muniz, J., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2008-12-16
Release date:2008-12-23
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Human Zinc finger and BTB domain containing 33
To be Published
3I2B
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THE CRYSTAL STRUCTURE OF HUMAN 6 PYRUVOYL TETRAHYDROBIOPTERIN SYNTHASE
Descriptor:6-pyruvoyl tetrahydrobiopterin synthase, 1,2-ETHANEDIOL, NICKEL (II) ION, ...
Authors:Ugochukwu, E., Cocking, R., Pilka, E., Yue, W.W., Bray, J.E., Chaikuad, A., Krojer, T., Muniz, J., von Delft, F., Bountra, C., Arrowsmith, C.H., Weigelt, J., Edwards, A., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2009-06-29
Release date:2009-07-28
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of human 6 Pyruvoyl Tetrahydrobiopterin Synthase
To be Published
3I3N
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CRYSTAL STRUCTURE OF THE BTB-BACK DOMAINS OF HUMAN KLHL11
Descriptor:Kelch-like protein 11, THIOCYANATE ION, CHLORIDE ION
Authors:Murray, J.W., Cooper, C.D.O., Krojer, T., Mahajan, P., Salah, E., Keates, T., Savitsky, P., Pike, A.C.W., Roos, A., Muniz, J., von Delft, F., Bountra, C., Arrowsmith, C.H., Weigelt, J., Edwards, A., Knapp, S., Bullock, A., Structural Genomics Consortium (SGC)
Deposit date:2009-06-30
Release date:2009-08-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the BTB-BACK domains of human KLHL11
To be Published
3IAR
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THE CRYSTAL STRUCTURE OF HUMAN ADENOSINE DEAMINASE
Descriptor:Adenosine deaminase, (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, NICKEL (II) ION, ...
Authors:Ugochukwu, E., Zhang, Y., Hapka, E., Yue, W.W., Bray, J.E., Muniz, J., Burgess-Brown, N., Chaikuad, A., von Delft, F., Bountra, C., Arrowsmith, C.H., Weigelt, J., Edwards, A., Kavanagh, K.L., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2009-07-14
Release date:2009-08-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The crystal structure of human adenosine deaminase
To be Published
3II0
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CRYSTAL STRUCTURE OF HUMAN GLUTAMATE OXALOACETATE TRANSAMINASE 1 (GOT1)
Descriptor:Aspartate aminotransferase, cytoplasmic, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Ugochukwu, E., Pilka, E., Cooper, C., Bray, J.E., Yue, W.W., Muniz, J., Chaikuad, A., von Delft, F., Bountra, C., Arrowsmith, C.H., Weigelt, J., Edwards, A., Kavanagh, K.L., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2009-07-31
Release date:2009-08-11
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of human Glutamate oxaloacetate transaminase 1 (GOT1)
To be Published
3L50
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THE CRYSTAL STRUCTURE OF HUMAN GLIA MATURATION FACTOR, GAMMA (GMFG)
Descriptor:Glia maturation factor gamma, CHLORIDE ION
Authors:Ugochukwu, E., Pilka, E., Krysztofinska, E., Hapka, E., Krojer, T., Muniz, J., Vollmar, M., Pike, A.C.W., von Delft, F., Bountra, C., Arrowsmith, C.H., Weigelt, J., Edwards, A., Kavanagh, K.L., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2009-12-21
Release date:2010-02-02
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of human Glia Maturation Factor, Gamma (GMFG)
To be Published
3L5K
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THE CRYSTAL STRUCTURE OF HUMAN HALOACID DEHALOGENASE-LIKE HYDROLASE DOMAIN CONTAINING 1A (HDHD1A)
Descriptor:Haloacid dehalogenase-like hydrolase domain-containing protein 1A, POTASSIUM ION, GLYCEROL, ...
Authors:Ugochukwu, E., Guo, K., Picaud, S., Muniz, J., Allerston, C., von Delft, F., Bountra, C., Arrowsmith, C.H., Weigelt, J., Edwards, A., Yue, W.W., Kavanagh, K.L., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of human Haloacid Dehalogenase-like Hydrolase Domain containing 1A (HDHD1A)
To be Published
3MTL
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CRYSTAL STRUCTURE OF THE PCTAIRE1 KINASE IN COMPLEX WITH INDIRUBIN E804
Descriptor:Cell division protein kinase 16, (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}
Authors:Krojer, T., Sharpe, T.D., Roos, A., Savitsky, P., Amos, A., Ayinampudi, V., Berridge, G., Fedorov, O., Keates, T., Phillips, C., Burgess-Brown, N., Zhang, Y., Pike, A.C.W., Muniz, J., Vollmar, M., Thangaratnarajah, C., Rellos, P., Ugochukwu, E., Filippakopoulos, P., Yue, W., Das, S., von Delft, F., Edwards, A., Arrowsmith, C.H., Weigelt, J., Bountra, C., Knapp, S., Bullock, A., Structural Genomics Consortium (SGC)
Deposit date:2010-04-30
Release date:2010-06-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the PCTAIRE1 kinase in complex with Indirubin E804
to be published
3O2G
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CRYSTAL STRUCTURE OF HUMAN GAMMA-BUTYROBETAINE,2-OXOGLUTARATE DIOXYGENASE 1 (BBOX1)
Descriptor:Gamma-butyrobetaine dioxygenase, ZINC ION, N-OXALYLGLYCINE, ...
Authors:Krojer, T., Kochan, G., McDonough, M.A., von Delft, F., Leung, I.K.H., Henry, L., Claridge, T.D.W., Pilka, E., Ugochukwu, E., Muniz, J., Filippakopoulos, P., Bountra, C., Arrowsmith, C.H., Weigelt, J., Edwards, A., Kavanagh, K.L., Schofield, C.J., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2010-07-22
Release date:2010-09-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal Structure of Human gamma-butyrobetaine,2-oxoglutarate dioxygenase 1 (BBOX1)
To be Published
3OP3
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CRYSTAL STRUCTURE OF CELL DIVISION CYCLE 25C PROTEIN ISOFORM A FROM HOMO SAPIENS
Descriptor:M-phase inducer phosphatase 3, SULFATE ION
Authors:Kim, Y., Weger, A., Hatzos, C., Savitsky, P., Johansson, C., Ball, L., Barr, A., Vollmar, M., Muniz, J., Weigelt, J., Arrowsmith, C.H., Edwards, A., Bountra, C., Gileadi, O., von Delft, F., Knapp, S., Joachimiak, A., Structural Genomics Consortium (SGC)
Deposit date:2010-08-31
Release date:2010-09-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Crystal Structure of Cell Division Cycle 25C Protein Isoform A from Homo sapiens
TO BE PUBLISHED
3P1E
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CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN CREBBP IN COMPLEX WITH DIMETHYL SULFOXIDE (DMSO)
Descriptor:CREB-binding protein, THIOCYANATE ION, DIMETHYL SULFOXIDE, ...
Authors:Filippakopoulos, P., Picaud, S., Feletar, I., Fedorov, O., Muniz, J., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2010-09-30
Release date:2010-11-24
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the bromodomain of human CREBBP in complex with dimethyl sulfoxide (DMSO)
To be Published
3P1F
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CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN CREBBP IN COMPLEX WITH A HYDROQUINAZOLIN LIGAND
Descriptor:CREB-binding protein, 1,2-ETHANEDIOL, POTASSIUM ION, ...
Authors:Filippakopoulos, P., Picaud, S., Fedorov, O., Muniz, J., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2010-09-30
Release date:2010-12-08
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal structure of the bromodomain of human CREBBP in complex with a hydroquinazolin ligand
To be Published
2WA0
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CRYSTAL STRUCTURE OF THE HUMAN MAGEA4
Descriptor:MELANOMA-ASSOCIATED ANTIGEN 4
Authors:Roos, A.K., Cooper, C.D.O., Ugochukwu, E., W Yue, W., Berridge, G., Elkins, J.M., Pike, A.C.W., Bray, J., Filippakopoulos, P., Muniz, J., Chaikuad, A., Burgess-Brown, N., Arrowsmith, C.H., Weigelt, J., Edwards, A., Bountra, C., von Delft, F., Gileadi, O., Oppermann, U.
Deposit date:2009-01-31
Release date:2009-03-10
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of Two Melanoma-Associated Antigens Suggest Allosteric Regulation of Effector Binding.
Plos One, 11, 2016
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
3MXF
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH THE INHIBITOR JQ1
Descriptor:Bromodomain-containing protein 4, (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, IODIDE ION, ...
Authors:Filippakopoulos, P., Picaud, S., Qi, J., Keates, T., Felletar, I., Fedorov, O., Muniz, J., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Bradner, J.E., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2010-05-07
Release date:2010-10-06
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Selective inhibition of BET bromodomains.
Nature, 468, 2010
4FLP
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRDT IN COMPLEX WITH THE INHIBITOR JQ1
Descriptor:Bromodomain testis-specific protein, (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, POTASSIUM ION
Authors:Filippakopoulos, P., Picaud, S., Qi, J., Felletar, I., Canning, P., Muniz, J., von Delft, F., Bountra, C., Arrowsmith, C.H., Edwards, A., Bradner, J., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2012-06-15
Release date:2012-07-11
Last modified:2012-08-29
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Small-Molecule Inhibition of BRDT for Male Contraception.
Cell(Cambridge,Mass.), 150, 2012
2W98
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CRYSTAL STRUCTURE OF HUMAN ZINC-BINDING ALCOHOL DEHYDROGENASE 1 (ZADH1) IN TERNARY COMPLEX WITH NADP AND PHENYLBUTAZONE
Descriptor:PROSTAGLANDIN REDUCTASE 2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE, ...
Authors:Shafqat, N., Yue, W.W., Muniz, J., Picaud, S., Niesen, F., Arrowsmith, C., Weigelt, J., Edwards, A., Bountra, C., Oppermann, U.
Deposit date:2009-01-22
Release date:2009-04-07
Last modified:2013-12-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Human Zinc-Binding Alcohol Dehydrogenase 1
To be Published
2WEL
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CRYSTAL STRUCTURE OF SU6656-BOUND CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE II DELTA IN COMPLEX WITH CALMODULIN
Descriptor:CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE II DELTA CHAIN, CALMODULIN, (3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE, ...
Authors:Pike, A.C.W., Rellos, P., Salah, E., Burgess-Brown, N., Keates, T., Muniz, J., Sethi, R., Roos, A., Filippakopoulos, P., von Delft, F., Edwards, A., Weigelt, J., Arrowsmith, C.H., Bountra, C., Knapp, S.
Deposit date:2009-03-31
Release date:2009-04-14
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the Camkiidelta/Calmodulin Complex Reveals the Molecular Mechanism of Camkii Kinase Activation.
Plos Biol., 8, 2010
2WWU
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF PHD FINGER PROTEIN 8
Descriptor:PHD FINGER PROTEIN 8, SULFATE ION, ACETATE ION, ...
Authors:Yue, W.W., Hozjan, V., Cooper, C., Tumber, A., Krojer, T., Muniz, J., Allerston, C., Salah, E., McDonough, M.A., von Delft, F., Arrowsmith, C., Weigelt, J., Edwards, A., Bountra, C., Schofield, C.J., Kavanagh, K.L., Oppermann, U.
Deposit date:2009-10-29
Release date:2009-11-17
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of the PHF8 Jumonji domain, an Nepsilon-methyl lysine demethylase.
FEBS Lett., 584, 2010
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