3GRO
 
 | | Human palmitoyl-protein thioesterase 1 | | 分子名称: | Palmitoyl-protein thioesterase 1, UNKNOWN ATOM OR ION | | 著者 | 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) | | 登録日 | 2009-03-26 | | 公開日 | 2009-04-07 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Human palmitoyl-protein thioesterase 1
To be Published
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3JYH
 | | Human dipeptidyl peptidase DPP7 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl-peptidase 2, ... | | 著者 | 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) | | 登録日 | 2009-09-21 | | 公開日 | 2009-10-13 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Human dipeptidyl peptidase DPP7
To be Published
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4HSG
 | | Crystal structure of human PRMT3 in complex with an allosteric inhibitor (PRMT3- KTD) | | 分子名称: | 1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-phenylethyl)urea, PRMT3 protein, UNKNOWN ATOM OR ION | | 著者 | 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) | | 登録日 | 2012-10-30 | | 公開日 | 2012-12-05 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Exploiting an allosteric binding site of PRMT3 yields potent and selective inhibitors.
J. Med. Chem., 56, 2013
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3SMQ
 | | Crystal structure of protein arginine methyltransferase 3 | | 分子名称: | 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea, CHLORIDE ION, Protein arginine N-methyltransferase 3, ... | | 著者 | 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) | | 登録日 | 2011-06-28 | | 公開日 | 2011-08-31 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | An allosteric inhibitor of protein arginine methyltransferase 3.
Structure, 20, 2012
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3KS9
 | | Metabotropic glutamate receptor mGluR1 complexed with LY341495 antagonist | | 分子名称: | 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ... | | 著者 | Dobrovetsky, E, Khutoreskaya, G, Seitova, A, Cossar, D, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Bochkarev, A, Structural Genomics Consortium (SGC) | | 登録日 | 2009-11-20 | | 公開日 | 2009-12-08 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Metabotropic glutamate receptor mglur1 complexed with LY341495 antagonist
To be Published
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3N0T
 | | Human dipeptidil peptidase DPP7 complexed with inhibitor GSK237826A | | 分子名称: | (3S)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine, Dipeptidyl peptidase 2 | | 著者 | 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) | | 登録日 | 2010-05-14 | | 公開日 | 2010-07-21 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Human dipeptidyl peptidase DPP7
To be Published
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3LMK
 | | Ligand Binding Domain of Metabotropoc glutamate receptor mGluR5 complexed with glutamate | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, MAGNESIUM ION, ... | | 著者 | Dobrovetsky, E, Khutoreskaya, G, Seitova, A, Cossar, D, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Bochkarev, A, Structural Genomics Consortium (SGC) | | 登録日 | 2010-01-30 | | 公開日 | 2010-02-16 | | 最終更新日 | 2021-10-13 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Metabotropic Glutamate receptor mGluR5 complexed with glutamate
To be Published
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3MQ4
 | | Metabotropic glutamate receptor mGluR7 complexed with LY341495 antagonist | | 分子名称: | 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, MAGNESIUM ION, Metabotropic glutamate receptor 7 | | 著者 | 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) | | 登録日 | 2010-04-27 | | 公開日 | 2010-06-09 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | mGluR7 complexed with LY341495
To be Published
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4QQN
 | | Protein arginine methyltransferase 3 in complex with compound MTV044246 | | 分子名称: | 1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea, CHLORIDE ION, GLYCEROL, ... | | 著者 | 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) | | 登録日 | 2014-06-27 | | 公開日 | 2014-09-17 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Discovery of Potent and Selective Allosteric Inhibitors of Protein Arginine Methyltransferase 3 (PRMT3).
J. Med. Chem., 61, 2018
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4RYL
 | | Human Protein Arginine Methyltransferase 3 in complex with 1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea | | 分子名称: | 1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea, PRMT3 protein, UNKNOWN ATOM OR ION | | 著者 | 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) | | 登録日 | 2014-12-15 | | 公開日 | 2015-02-25 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A Potent, Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 3 (PRMT3).
Angew.Chem.Int.Ed.Engl., 54, 2015
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4WJL
 | | Structure of human dipeptidyl peptidase 10 (DPPY): a modulator of neuronal Kv4 channels | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Inactive dipeptidyl peptidase 10, ... | | 著者 | Bezerra, G.A, Dobrovetsky, E, Seitova, A, Fedosyuk, S, Dhe-Paganon, S, Gruber, K. | | 登録日 | 2014-09-30 | | 公開日 | 2015-03-18 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Structure of human dipeptidyl peptidase 10 (DPPY): a modulator of neuronal Kv4 channels.
Sci Rep, 5, 2015
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3TUG
 | | Crystal structure of the HECT domain of ITCH E3 ubiquitin ligase | | 分子名称: | CHLORIDE ION, E3 ubiquitin-protein ligase Itchy homolog, UNKNOWN ATOM OR ION | | 著者 | 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) | | 登録日 | 2011-09-16 | | 公開日 | 2011-10-12 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Crystal structure of the HECT domain of ITCH E3 ubiquitin ligase
To be Published
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2BBH
 | | X-ray structure of T.maritima CorA soluble domain | | 分子名称: | DECYL-BETA-D-MALTOPYRANOSIDE, MAGNESIUM ION, SODIUM ION, ... | | 著者 | Lunin, V.V, Dobrovetsky, E, Khutoreskaya, G, Bochkarev, A, Maguire, M.E, Edwards, A.M, Koth, C.M, Structural Genomics Consortium (SGC) | | 登録日 | 2005-10-17 | | 公開日 | 2005-12-13 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal structure of the CorA Mg2+ transporter.
Nature, 440, 2006
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1I7Y
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2BBJ
 | | Crystal structure of the CorA Mg2+ transporter | | 分子名称: | divalent cation transport-related protein | | 著者 | 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) | | 登録日 | 2005-10-17 | | 公開日 | 2005-12-13 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (3.9 Å) | | 主引用文献 | Crystal structure of the CorA Mg2+ transporter
Nature, 440, 2006
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4FO9
 | | Crystal structure of the E3 SUMO Ligase PIAS2 | | 分子名称: | E3 SUMO-protein ligase PIAS2, UNKNOWN ATOM OR ION, ZINC ION | | 著者 | Dong, A, Hu, J, Dobrovetsky, E, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | | 登録日 | 2012-06-20 | | 公開日 | 2012-07-18 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Crystal structure of the E3 SUMO Ligase PIAS2
to be published
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5C5C
 | | Human metabotropic glutamate receptor 7, extracellular ligand binding domain | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | 著者 | Dong, A, Dobrovetsky, E, Hutchinson, A, Tempel, W, Edwards, A.M, Bountra, C, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | 登録日 | 2015-06-19 | | 公開日 | 2015-07-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.862 Å) | | 主引用文献 | Human metabotropic glutamate receptor 7, extracellular ligand binding domain
to be published
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5C6S
 | | Human Bromodomain and PHD Finger Containing 1, PWWP domain in complex with XST005904a | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Peregrin, ... | | 著者 | DONG, A, DOBROVETSKY, E, MADER, P, Santhakumar, S, TEMPEL, W, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, Structural Genomics Consortium (SGC) | | 登録日 | 2015-06-23 | | 公開日 | 2015-07-29 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Human Bromodomain and PHD Finger Containing 1, PWWP domain in complex with XST005904a
to be published
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4QQG
 | | Crystal structure of an N-terminal HTATIP fragment | | 分子名称: | Histone acetyltransferase KAT5, UNKNOWN ATOM OR ION | | 著者 | Liu, Y, Tempel, W, Wernimont, A.K, Dobrovetsky, E, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2014-06-27 | | 公開日 | 2014-07-09 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural and histone binding studies of the chromo barrel domain of TIP60.
FEBS Lett., 592, 2018
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6AU2
 | | Crystal structure of SETDB1 Tudor domain with aryl triazole fragments | | 分子名称: | 1,2-ETHANEDIOL, 1-methyl-4H,6H-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine, BETA-MERCAPTOETHANOL, ... | | 著者 | MADER, P, Mendoza-Sanchez, R, IQBAL, A, DONG, A, DOBROVETSKY, E, CORLESS, V.B, LIEW, S.K, TEMPEL, W, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D, HOLOWNIA, A, VEDADI, M, BROWN, P.J, SANTHAKUMAR, V, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | 登録日 | 2017-08-30 | | 公開日 | 2017-10-11 | | 最終更新日 | 2019-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Identification and characterization of the first fragment hits for SETDB1 Tudor domain.
Bioorg.Med.Chem., 27, 2019
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6BPI
 | | Crystal structure of SETDB1 Tudor domain with aryl triazole fragment peptide conjugates | | 分子名称: | 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, MLY-SER-THR-E2G, ... | | 著者 | MADER, P, Mendoza-Sanchez, R, DONG, A, DOBROVETSKY, E, IQBAL, A, CORLESS, V, TEMPEL, W, LIEW, S.K, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D.B, SCHAPIRA, M, VEDADI, M, BROWN, P.J, Santhakumar, V, FRYE, S, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | 登録日 | 2017-11-23 | | 公開日 | 2017-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Crystal structure of SETDB1 Tudor domain with aryl triazole fragment peptide conjugates
to be published
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6BYB
 | | Crystal structure of L3MBTL1 MBT Domain with MBK14970 | | 分子名称: | (S)-N-(cyclopropylmethyl)-N~2~-methyl-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]alaninamide, 1,2-ETHANEDIOL, Lethal(3)malignant brain tumor-like protein 1, ... | | 著者 | 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) | | 登録日 | 2017-12-20 | | 公開日 | 2018-01-24 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Crystal structure of L3MBTL1 MBT Domain with MBK14970
to be published
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6AU3
 | | Crystal structure of SETDB1 Tudor domain with aryl triazole fragments | | 分子名称: | 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, N-{[2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)phenyl]methyl}acetamide, ... | | 著者 | MADER, P, Mendoza-Sanchez, R, IQBAL, A, DONG, A, DOBROVETSKY, E, CORLESS, V.B, LIEW, S.K, TEMPEL, W, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D, HOLOWNIA, A, VEDADI, M, BROWN, P.J, SANTHAKUMAR, V, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | 登録日 | 2017-08-30 | | 公開日 | 2017-09-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of SETDB1 Tudor domain with aryl triazole fragments
to be published
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3SM9
 | | Crystal Structure of Metabotropic glutamate receptor 3 precursor in presence of LY341495 antagonist | | 分子名称: | 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, CHLORIDE ION, Metabotropic glutamate receptor 3, ... | | 著者 | 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) | | 登録日 | 2011-06-27 | | 公開日 | 2011-07-27 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Crystal Structure of Metabotropic glutamate receptor 3 precursor in presence of LY341495 antagonist
TO BE PUBLISHED
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5KE3
 | | Crystal structure of SETDB1 Tudor domain in complex with fragment MRT0181a | | 分子名称: | (S)-N-(furan-2-ylmethyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide, BETA-MERCAPTOETHANOL, Histone-lysine N-methyltransferase SETDB1, ... | | 著者 | Dong, A, Iqbal, A, Mader, P, Dobrovetsky, E, Ferreira de Freitas, R, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Schapira, M, Brown, P.J, Structural Genomics Consortium (SGC) | | 登録日 | 2016-06-09 | | 公開日 | 2016-08-03 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structure of SETDB1 Tudor domain in complex with fragment MRT0181a
to be published
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