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
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
2WZ1
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STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN SOLUBLE GUANYLATE CYCLASE 1 BETA 3.
Descriptor:GUANYLATE CYCLASE SOLUBLE SUBUNIT BETA-1, 1,2-ETHANEDIOL
Authors:Allerston, C.K., Cooper, C.D.O., Muniz, J., Pike, A.C.W., von Delft, F., Arrowsmith, C.H., Weigelt, J., Edwards, A., Bountra, C., Gileadi, O.
Deposit date:2009-11-23
Release date:2009-12-01
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal Structures of the Catalytic Domain of Human Soluble Guanylate Cyclase.
Plos One, 8, 2013
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