Author results

3GRO
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HUMAN PALMITOYL-PROTEIN THIOESTERASE 1
Descriptor:Palmitoyl-protein thioesterase 1, UNKNOWN ATOM OR ION
Authors:Dobrovetsky, E., Seitova, A., Tong, Y., Tempel, W., Dong, A., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Weigelt, J., Bochkarev, A., Cossar, D., Park, H., Structural Genomics Consortium (SGC)
Deposit date:2009-03-26
Release date:2009-04-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Human palmitoyl-protein thioesterase 1
To be Published
3JYH
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HUMAN DIPEPTIDYL PEPTIDASE DPP7
Descriptor:Dipeptidyl-peptidase 2, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE
Authors:Dobrovetsky, E., Dong, A., Seitova, A., Crombett, L., Paganon, S., Cossar, D., Edwards, A.M., Arrowsmith, C.H., Bountra, C., Weigelt, J., Hassel, A., Shewchuk, L., Bochkarev, A., Structural Genomics Consortium (SGC)
Deposit date:2009-09-21
Release date:2009-10-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Human dipeptidyl peptidase DPP7
To be Published
3KS9
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METABOTROPIC GLUTAMATE RECEPTOR MGLUR1 COMPLEXED WITH LY341495 ANTAGONIST
Descriptor:Metabotropic glutamate receptor 1, 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, MAGNESIUM ION, ...
Authors:Dobrovetsky, E., Khutoreskaya, G., Seitova, A., Cossar, D., Edwards, A.M., Arrowsmith, C.H., Bountra, C., Weigelt, J., Bochkarev, A., Structural Genomics Consortium (SGC)
Deposit date:2009-11-20
Release date:2009-12-08
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Metabotropic glutamate receptor mglur1 complexed with LY341495 antagonist
To be Published
3LMK
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LIGAND BINDING DOMAIN OF METABOTROPOC GLUTAMATE RECEPTOR MGLUR5 COMPLEXED WITH GLUTAMATE
Descriptor:Metabotropic glutamate receptor 5, N-ACETYL-D-GLUCOSAMINE, GLUTAMIC ACID, ...
Authors:Dobrovetsky, E., Khutoreskaya, G., Seitova, A., Cossar, D., Edwards, A.M., Arrowsmith, C.H., Bountra, C., Weigelt, J., Bochkarev, A., Structural Genomics Consortium (SGC)
Deposit date:2010-01-30
Release date:2010-02-16
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Metabotropic Glutamate receptor mGluR5 complexed with glutamate
To be Published
3MQ4
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METABOTROPIC GLUTAMATE RECEPTOR MGLUR7 COMPLEXED WITH LY341495 ANTAGONIST
Descriptor:Metabotropic glutamate receptor 7, MAGNESIUM ION, 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine
Authors:Dobrovetsky, E., Khutoreskaya, G., Seitova, A., He, H., Weigelt, J., Edwards, A.M., Arrowsmith, C.H., Bountra, C., Cossar, D., Bochkarev, A., Structural Genomics Consortium (SGC)
Deposit date:2010-04-27
Release date:2010-06-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:mGluR7 complexed with LY341495
To be Published
3N0T
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HUMAN DIPEPTIDIL PEPTIDASE DPP7 COMPLEXED WITH INHIBITOR GSK237826A
Descriptor:Dipeptidyl peptidase 2, (3S)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine
Authors:Dobrovetsky, E., Khutoreskaya, G., Seitova, A., Crombet, L., Cossar, D., Pagannon, S., Arrowsmith, C.H., Bountra, C., Weigelt, J., Edwards, A.M., Hassell, A., Shewchuk, L., Haffner, C., Bochkarev, A., Structural Genomics Consortium (SGC)
Deposit date:2010-05-14
Release date:2010-07-21
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Human dipeptidyl peptidase DPP7
To be Published
3DLJ
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CRYSTAL STRUCTURE OF HUMAN CARNOSINE DIPEPTIDASE 1
Descriptor:Beta-Ala-His dipeptidase, ZINC ION, UNKNOWN ATOM OR ION, ...
Authors:Dong, A., Dobrovetsky, E., Seitova, A., He, H., Tempel, W., Kozieradzki, I., Arrowsmith, C.H., Weigelt, J., Bountra, C., Edwards, A.M., Bochkarev, A., Cossar, D., Structural Genomics Consortium (SGC)
Deposit date:2008-06-27
Release date:2008-08-19
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structure of human carnosine dipeptidase 1.
To be Published
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
3TUG
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CRYSTAL STRUCTURE OF THE HECT DOMAIN OF ITCH E3 UBIQUITIN LIGASE
Descriptor:E3 ubiquitin-protein ligase Itchy homolog, CHLORIDE ION, UNKNOWN ATOM OR ION
Authors:Dong, A., Dobrovetsky, E., Xue, S., Butler, C., Wernimont, A., Walker, J.R., Tempel, W., Dhe-Paganon, S., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Tong, Y., Structural Genomics Consortium (SGC)
Deposit date:2011-09-16
Release date:2011-10-12
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal structure of the HECT domain of ITCH E3 ubiquitin ligase
To be Published
4HSG
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CRYSTAL STRUCTURE OF HUMAN PRMT3 IN COMPLEX WITH AN ALLOSTERIC INHIBITOR (PRMT3- KTD)
Descriptor:PRMT3 protein, 1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-phenylethyl)urea, UNKNOWN ATOM OR ION
Authors:Dobrovetsky, E., Dong, A., Liu, F., Li, F., Tempel, W., Siarheyeva, A., Hajian, T., Smil, D., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Brown, P.J., Schapira, M., Jin, J., Vedadi, M., Structural Genomics Consortium (SGC)
Deposit date:2012-10-30
Release date:2012-12-05
Last modified:2018-05-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Exploiting an allosteric binding site of PRMT3 yields potent and selective inhibitors.
J. Med. Chem., 56, 2013
5C5C
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HUMAN METABOTROPIC GLUTAMATE RECEPTOR 7, EXTRACELLULAR LIGAND BINDING DOMAIN
Descriptor:Metabotropic glutamate receptor 7, N-ACETYL-D-GLUCOSAMINE, GLYCEROL, ...
Authors:Dong, A., Dobrovetsky, E., Hutchinson, A., Tempel, W., Edwards, A.M., Bountra, C., Arrowsmith, C.H., Structural Genomics Consortium (SGC)
Deposit date:2015-06-19
Release date:2015-07-15
Method:X-RAY DIFFRACTION (1.862 Å)
Cite:Human metabotropic glutamate receptor 7, extracellular ligand binding domain
to be published
5C6S
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HUMAN BROMODOMAIN AND PHD FINGER CONTAINING 1, PWWP DOMAIN IN COMPLEX WITH XST005904A
Descriptor:Peregrin, isoquinoline-3-carboxylic acid, CHLORIDE ION, ...
Authors:DONG, A., DOBROVETSKY, E., MADER, P., Santhakumar, S., TEMPEL, W., Arrowsmith, C.H., Edwards, A.M., BROWN, P.J., Structural Genomics Consortium (SGC)
Deposit date:2015-06-23
Release date:2015-07-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Human Bromodomain and PHD Finger Containing 1, PWWP domain in complex with XST005904a
to be published
6BYB
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CRYSTAL STRUCTURE OF L3MBTL1 MBT DOMAIN WITH MBK14970
Descriptor:Lethal(3)malignant brain tumor-like protein 1, (S)-N-(cyclopropylmethyl)-N~2~-methyl-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]alaninamide, 1,2-ETHANEDIOL, ...
Authors:DONG, A., DOBROVETSKY, E., NICHOLSON, B., COX, C., FISCHER, C., ARMACOST, K., SANDERS, J., Bountra, C., Arrowsmith, C.H., Edwards, A.M., BROWN, P.J., Structural Genomics Consortium (SGC)
Deposit date:2017-12-20
Release date:2018-01-24
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of L3MBTL1 MBT Domain with MBK14970
to be published
4QQN
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PROTEIN ARGININE METHYLTRANSFERASE 3 IN COMPLEX WITH COMPOUND MTV044246
Descriptor:PRMT3 protein, 1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea, GLYCEROL, ...
Authors:Dong, A., Dobrovetsky, E., Tempel, W., He, H., Zhao, K., Smil, D., Landon, M., Luo, X., Chen, Z., Dai, M., Yu, Z., Lin, Y., Zhang, H., Zhao, K., Schapira, M., Brown, P.J., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Vedadi, M., Structural Genomics Consortium (SGC)
Deposit date:2014-06-27
Release date:2014-09-17
Last modified:2018-05-16
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Discovery of Potent and Selective Allosteric Inhibitors of Protein Arginine Methyltransferase 3 (PRMT3).
J. Med. Chem., 61, 2018
2BBH
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X-RAY STRUCTURE OF T.MARITIMA CORA SOLUBLE DOMAIN
Descriptor:divalent cation transport-related protein, DECYL-BETA-D-MALTOPYRANOSIDE, SODIUM ION, ...
Authors:Lunin, V.V., Dobrovetsky, E., Khutoreskaya, G., Bochkarev, A., Maguire, M.E., Edwards, A.M., Koth, C.M., Structural Genomics Consortium (SGC)
Deposit date:2005-10-17
Release date:2005-12-13
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of the CorA Mg2+ transporter.
Nature, 440, 2006
2BBJ
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CRYSTAL STRUCTURE OF THE CORA MG2+ TRANSPORTER
Descriptor:divalent cation transport-related protein
Authors:Lunin, V.V., Dobrovetsky, E., Khutoreskaya, G., Zhang, R., Joachimiak, A., Bochkarev, A., Maguire, M.E., Edwards, A.M., Koth, C.M., Structural Genomics Consortium (SGC)
Deposit date:2005-10-17
Release date:2005-12-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Crystal structure of the CorA Mg2+ transporter
Nature, 440, 2006
3BO5
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CRYSTAL STRUCTURE OF METHYLTRANSFERASE DOMAIN OF HUMAN HISTONE-LYSINE N-METHYLTRANSFERASE SETMAR
Descriptor:Histone-lysine N-methyltransferase SETMAR, ZINC ION, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Lunin, V.V., Wu, H., Ren, H., Dobrovetsky, E., Weigelt, J., Arrowsmith, C.H., Edwards, A.M., Bochkarev, A., Min, J., Plotnikov, A.N., Structural Genomics Consortium (SGC)
Deposit date:2007-12-17
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:The Crystal Structure of Methyltransferase Domain of Human Histone-lysine N-methyltransferase SETMAR in Complex With AdoHcy.
To be Published
3CKK
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CRYSTAL STRUCTURE OF HUMAN METHYLTRANSFERASE-LIKE PROTEIN 1
Descriptor:tRNA (guanine-N(7)-)-methyltransferase, S-ADENOSYLMETHIONINE, GLYCEROL
Authors:Dong, A., Zeng, H., Dobrovetsky, E., Bountra, C., Weigelt, J., Arrowsmith, C.H., Edwards, A.M., Bochkarev, A., Min, J., Plotnikov, A.N., Wu, H., Structural Genomics Consortium (SGC)
Deposit date:2008-03-16
Release date:2008-04-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of human methyltransferase-like protein 1.
To be Published
3FVY
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CRYSTAL STRUCTURE OF HUMAN DIPEPTIDYL PEPTIDASE III
Descriptor:Dipeptidyl-peptidase 3, ZINC ION, MAGNESIUM ION, ...
Authors:Dong, A., Dobrovetsky, E., Seitova, A., Duncan, B., Crombet, L., Sundstrom, M., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bochkarev, A., Cossar, D., Structural Genomics Consortium (SGC)
Deposit date:2009-01-16
Release date:2009-02-03
Last modified:2015-02-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Entropy-driven binding of opioid peptides induces a large domain motion in human dipeptidyl peptidase III.
Proc.Natl.Acad.Sci.USA, 109, 2012
3SM9
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CRYSTAL STRUCTURE OF METABOTROPIC GLUTAMATE RECEPTOR 3 PRECURSOR IN PRESENCE OF LY341495 ANTAGONIST
Descriptor:Metabotropic glutamate receptor 3, SULFATE ION, 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, ...
Authors:Wernimont, A.K., Dong, A., Seitova, A., Crombet, L., Khutoreskaya, G., Edwards, A.M., Arrowsmith, C.H., Bountra, C., Weigelt, J., Cossar, D., Dobrovetsky, E., Structural Genomics Consortium (SGC)
Deposit date:2011-06-27
Release date:2011-07-27
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal Structure of Metabotropic glutamate receptor 3 precursor in presence of LY341495 antagonist
TO BE PUBLISHED
4FO9
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CRYSTAL STRUCTURE OF THE E3 SUMO LIGASE PIAS2
Descriptor:E3 SUMO-protein ligase PIAS2, ZINC ION, UNKNOWN ATOM OR ION
Authors:Dong, A., Hu, J., Dobrovetsky, E., Tempel, W., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Tong, Y., Structural Genomics Consortium (SGC)
Deposit date:2012-06-20
Release date:2012-07-18
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Crystal structure of the E3 SUMO Ligase PIAS2
to be published
4RYL
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HUMAN PROTEIN ARGININE METHYLTRANSFERASE 3 IN COMPLEX WITH 1-ISOQUINOLIN-6-YL-3-[2-OXO-2-(PYRROLIDIN-1-YL)ETHYL]UREA
Descriptor:PRMT3 protein, 1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea, UNKNOWN ATOM OR ION
Authors:Dong, A., Dobrovetsky, E., Kaniskan, H.U., Szewczyk, M., Yu, Z., Eram, M.S., Yang, X., Schmidt, K., Luo, X., Dai, M., He, F., Zang, I., Lin, Y., Kennedy, S., Li, F., Tempel, W., Smil, D., Min, S.J., Landon, M., Lin-Jones, J., Huang, X.P., Roth, B.L., Schapira, M., Atadja, P., Barsyte-Lovejoy, D., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Brown, P.J., Zhao, K., Jin, J., Vedadi, M., Structural Genomics Consortium (SGC)
Deposit date:2014-12-15
Release date:2015-02-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Potent, Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 3 (PRMT3).
Angew.Chem.Int.Ed.Engl., 54, 2015
4WJL
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STRUCTURE OF HUMAN DIPEPTIDYL PEPTIDASE 10 (DPPY): A MODULATOR OF NEURONAL KV4 CHANNELS
Descriptor:Inactive dipeptidyl peptidase 10, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Bezerra, G.A., Dobrovetsky, E., Seitova, A., Fedosyuk, S., Dhe-Paganon, S., Gruber, K.
Deposit date:2014-09-30
Release date:2015-03-18
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure of human dipeptidyl peptidase 10 (DPPY): a modulator of neuronal Kv4 channels.
Sci Rep, 5, 2015
5KCH
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SETDB1 IN COMPLEX WITH AN EARLY STAGE, LOW AFFINITY FRAGMENT CANDIDATE MODELLED AT REDUCED OCCUPANCY INTO WEAK ELECTRON DENSITY
Descriptor:Histone-lysine N-methyltransferase SETDB1, UNKNOWN ATOM OR ION, DIMETHYL SULFOXIDE, ...
Authors:Tempel, W., Harding, R.J., Mader, P., Dobrovetsky, E., Walker, J.R., Brown, P.J., Schapira, M., Collins, P., Pearce, N., Brandao-Neto, J., Douangamath, A., von Delft, F., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Santhakumar, V., Structural Genomics Consortium (SGC)
Deposit date:2016-06-06
Release date:2016-07-27
Last modified:2017-01-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy
To Be Published
5KCO
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SETDB1 IN COMPLEX WITH AN EARLY STAGE, LOW AFFINITY FRAGMENT CANDIDATE MODELLED AT REDUCED OCCUPANCY
Descriptor:Histone-lysine N-methyltransferase SETDB1, SULFATE ION, ~{N}-(4-chlorophenyl)methanesulfonamide, ...
Authors:Tempel, W., Harding, R.J., Mader, P., Dobrovetsky, E., Walker, J.R., Brown, P.J., Schapira, M., Collins, P., Pearce, N., Brandao-Neto, J., Douangamath, A., von Delft, F., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Santhakumar, V., Structural Genomics Consortium (SGC)
Deposit date:2016-06-06
Release date:2016-07-27
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy
To Be Published
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