Author results

1HKY
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SOLUTION STRUCTURE OF A PAN MODULE FROM EIMERIA TENELLA
分子名称:MICRONEME PROTEIN 5 PRECURSOR
著者Brown, P.J., Mulvey, D., Potts, J.R., Tomley, F.M., Campbell, I.D.
登録日2002-10-03
公開日2002-10-17
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献Solution Structure of a Pan Module from the Apicomplexan Parasite Eimeria Tenella
J.Struct.Funct.Genom., 4, 2003
3GWX
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MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS
分子名称:PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR-DELTA)), 5,8,11,14,17-EICOSAPENTAENOIC ACID
著者Xu, H.E., Lambert, M.H., Montana, V.G., Parks, D.J., Blanchard, S.G., Brown, P.J., Sternbach, D.D., Lehmann, J.M., Wisely, G.B., Willson, T.M., Kliewer, S.A., Milburn, M.V.
登録日1999-04-26
公開日2000-04-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular recognition of fatty acids by peroxisome proliferator-activated receptors.
Mol.Cell, 3, 1999
3K5K
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DISCOVERY OF A 2,4-DIAMINO-7-AMINOALKOXY-QUINAZOLINE AS A POTENT INHIBITOR OF HISTONE LYSINE METHYLTRANSFERASE, G9A
分子名称:Histone-lysine N-methyltransferase, H3 lysine-9 specific 3, ZINC ION, ...
著者Dong, A., Wasney, G.A., Liu, F., Chen, X., Allali-Hassani, A., Senisterra, G., Chau, I., Bountra, C., Weigelt, J., Edwards, A.M., Arrowsmith, C.H., Frye, S.V., Bochkarev, A., Brown, P.J., Jin, J., Vedadi, M., Structural Genomics Consortium (SGC)
登録日2009-10-07
公開日2009-11-10
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of a 2,4-diamino-7-aminoalkoxyquinazoline as a potent and selective inhibitor of histone lysine methyltransferase G9a.
J.Med.Chem., 52, 2009
3P8H
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CRYSTAL STRUCTURE OF L3MBTL1 (MBT REPEAT) IN COMPLEX WITH A NICOTINAMIDE ANTAGONIST
分子名称:Lethal(3)malignant brain tumor-like protein, 3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]pyridine, SULFATE ION, ...
著者Lam, R., Herold, J.M., Ouyang, H., Tempel, W., Gao, C., Ravichandran, M., Senisterra, G., Bountra, C., Weigelt, J., Arrowsmith, C.H., Edwards, A.M., Vedadi, M., Kireev, D., Frye, S.V., Brown, P.J., Structural Genomics Consortium (SGC)
登録日2010-10-13
公開日2010-11-03
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Small-molecule ligands of methyl-lysine binding proteins.
J.Med.Chem., 54, 2011
3RJW
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CRYSTAL STRUCTURE OF HISTONE LYSINE METHYLTRANSFERASE G9A WITH AN INHIBITOR
分子名称:Histone-lysine N-methyltransferase EHMT2, ZINC ION, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Dong, A., Wasney, G.A., Tempel, W., Liu, F., Barsyte, D., Allali-Hassani, A., Chen, X., Chau, I., Hajian, T., Senisterra, G., Chavda, N., Arora, K., Siarheyeva, A., Kireev, D.B., Herold, J.M., Bochkarev, A., Bountra, C., Weigelt, J., Edwards, A.M., Frye, S.V., Arrowsmith, C.H., Brown, P.J., Jin, J., Vedadi, M., Structural Genomics Consortium (SGC)
登録日2011-04-15
公開日2011-05-04
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献A chemical probe selectively inhibits G9a and GLP methyltransferase activity in cells.
Nat.Chem.Biol., 7, 2011
3SMQ
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CRYSTAL STRUCTURE OF PROTEIN ARGININE METHYLTRANSFERASE 3
分子名称:Protein arginine N-methyltransferase 3, 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea, CHLORIDE ION, ...
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2013-07-24
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
3SMR
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CRYSTAL STRUCTURE OF HUMAN WD REPEAT DOMAIN 5 WITH COMPOUND
分子名称:WD repeat-containing protein 5, 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide, 1,2-ETHANEDIOL, ...
著者Dong, A., Dombrovski, L., Wasney, G.A., Tempel, W., Senisterra, G., Bolshan, Y., Smil, D., Nguyen, K.T., Hajian, T., Poda, G., Al-Awar, R., Bountra, C., Weigelt, J., Edwards, A.M., Brown, P.J., Schapira, M., Arrowsmith, C.H., Vedadi, M., Wu, H., Structural Genomics Consortium (SGC)
登録日2011-06-28
公開日2011-08-31
最終更新日2018-05-16
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
3SX0
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CRYSTAL STRUCTURE OF DOT1L IN COMPLEX WITH A BROMINATED SAH ANALOG
分子名称:Histone-lysine N-methyltransferase, H3 lysine-79 specific, (2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name), ...
著者Yu, W., Tempel, W., Smil, D., Schapira, M., Li, Y., Vedadi, M., Nguyen, K.T., Wernimont, A.K., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Weigelt, J., Brown, P.J., Structural Genomics Consortium (SGC)
登録日2011-07-14
公開日2011-07-27
最終更新日2018-05-16
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Bromo-deaza-SAH: a potent and selective DOT1L inhibitor.
Bioorg. Med. Chem., 21, 2013
3UT1
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CRYSTAL STRUCTURE OF THE 3-MBT REPEAT DOMAIN OF L3MBTL3
分子名称:Lethal(3)malignant brain tumor-like protein 3, COBALT (II) ION, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Zhong, N., Tempel, W., Wernimont, A.K., Graslund, S., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Weigelt, J., Brown, P.J., Structural Genomics Consortium (SGC)
登録日2011-11-24
公開日2011-12-28
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of the 3-MBT repeat domain of L3MBTL3
to be published
3UWN
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THE 3-MBT REPEAT DOMAIN OF L3MBTL1 IN COMPLEX WITH A METHYL-LYSINE MIMIC
分子名称:Lethal(3)malignant brain tumor-like protein 1, [2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone}, UNKNOWN ATOM OR ION
著者Zhong, N., Tempel, W., Wernimont, A.K., Graslund, S., Ingerman, L.A., Korboukh, V., Kireev, D.B., Gao, C., Frye, S.V., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Weigelt, J., Brown, P.J., Structural Genomics Consortium (SGC)
登録日2011-12-02
公開日2012-03-07
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The 3-MBT repeat domain of L3MBTL1 in complex with a methyl-lysine mimic
To be Published
3UWP
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CRYSTAL STRUCTURE OF DOT1L IN COMPLEX WITH 5-IODOTUBERCIDIN
分子名称:Histone-lysine N-methyltransferase, H3 lysine-79 specific, (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, ...
著者Yu, W., Tempel, W., Smil, D., Schapira, M., Li, Y., Vedadi, M., Nguyen, K.T., Wernimont, A.K., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Weigelt, J., Brown, P.J., Structural Genomics Consortium (SGC)
登録日2011-12-02
公開日2012-03-14
最終更新日2018-05-16
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4E47
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SET7/9 IN COMPLEX WITH INHIBITOR (R)-(3-(3-CYANOPHENYL)-1-OXO-1-(PYRROLIDIN-1-YL)PROPAN-2-YL)-1,2,3,4-TETRAHYDROISOQUINOLINE-6- SULFONAMIDE AND S-ADENOSYLMETHIONINE
分子名称:Histone-lysine N-methyltransferase SETD7, S-ADENOSYLMETHIONINE, (R)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide, ...
著者Walker, J.R., Ouyang, H., Dong, A., Fish, P., Cook, A., Barsyte, D., Vedadi, M., Tatlock, J., Owen, D., Bunnage, M., Bountra, C., Weigelt, J., Edwards, A.M., Arrowsmith, C.H., Brown, P.J., Structural Genomics Consortium (SGC)
登録日2012-03-12
公開日2012-03-28
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Setd7 in Complex with Inhibitor and SAM
To be Published
4EQZ
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CRYSTAL STRUCTURE OF HUMAN DOT1L IN COMPLEX WITH INHIBITOR FED2
分子名称:Histone-lysine N-methyltransferase, H3 lysine-79 specific, 5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosine, ...
著者Wernimont, A.K., Tempel, W., Yu, W., Li, Y., Nguyen, K.T., Federation, A., Marineau, J., Qi, J., Vedadi, M., Bradner, J.E., Schapira, M., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Brown, P.J., Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-02
最終更新日2018-05-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4ER0
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CRYSTAL STRUCTURE OF HUMAN DOT1L IN COMPLEX WITH INHIBITOR FED1
分子名称:Histone-lysine N-methyltransferase, H3 lysine-79 specific, 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine, ...
著者Wernimont, A.K., Tempel, W., Yu, W., Li, Y., Nguyen, K.T., Federation, A., Marineau, J., Qi, J., Vedadi, M., Bradner, J.E., Schapira, M., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Brown, P.J., Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-02
最終更新日2018-05-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4ER3
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CRYSTAL STRUCTURE OF HUMAN DOT1L IN COMPLEX WITH INHIBITOR EPZ004777
分子名称:Histone-lysine N-methyltransferase, H3 lysine-79 specific, 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, ...
著者Wernimont, A.K., Tempel, W., Yu, W., Scopton, A., Li, Y., Nguyen, K.T., Federation, A., Marineau, J., Qi, J., Vedadi, M., Bradner, J.E., Schapira, M., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Brown, P.J., Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-16
最終更新日2018-05-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4ER5
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CRYSTAL STRUCTURE OF HUMAN DOT1L IN COMPLEX WITH 2 MOLECULES OF EPZ004777
分子名称:Histone-lysine N-methyltransferase, H3 lysine-79 specific, 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, ...
著者Wernimont, A.K., Tempel, W., Yu, W., Scopton, A., Li, Y., Nguyen, K.T., Federation, A., Marineau, J., Qi, J., Vedadi, M., Bradner, J.E., Schapira, M., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Brown, P.J., Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-16
最終更新日2018-05-16
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4ER6
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CRYSTAL STRUCTURE OF HUMAN DOT1L IN COMPLEX WITH INHIBITOR SGC0946
分子名称:Histone-lysine N-methyltransferase, H3 lysine-79 specific, BROMIDE ION, ...
著者Wernimont, A.K., Tempel, W., Yu, W., Scopton, A., Li, Y., Nguyen, K.T., Vedadi, M., Bradner, J.E., Schapira, M., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Brown, P.J., Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-16
最終更新日2018-05-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4ER7
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CRYSTAL STRUCTURE OF HUMAN DOT1L IN COMPLEX WITH INHIBITOR SGC0947
分子名称:Histone-lysine N-methyltransferase, H3 lysine-79 specific, 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, ...
著者Wernimont, A.K., Tempel, W., Yu, W., Scopton, A., Li, Y., Nguyen, K.T., Vedadi, M., Bradner, J.E., Schapira, M., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Brown, P.J., Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-16
最終更新日2018-05-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4FL6
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CRYSTAL STRUCTURE OF THE COMPLEX OF THE 3-MBT REPEAT DOMAIN OF L3MBTL3 AND UNC1215
分子名称:Lethal(3)malignant brain tumor-like protein 3, [2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone}, UNKNOWN ATOM OR ION
著者Zhong, N., Tempel, W., Ravichandran, M., Dong, A., Ingerman, L.A., Graslund, S., Frye, S.V., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Brown, P.J., Structural Genomics Consortium (SGC)
登録日2012-06-14
公開日2012-06-27
最終更新日2018-05-16
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of a chemical probe for the L3MBTL3 methyllysine reader domain.
Nat. Chem. Biol., 9, 2013
4FMU
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CRYSTAL STRUCTURE OF METHYLTRANSFERASE DOMAIN OF HUMAN SET DOMAIN-CONTAINING PROTEIN 2 COMPOUND: PR-SNF
分子名称:Histone-lysine N-methyltransferase SETD2, ZINC ION, (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid, ...
著者Dong, A., Zeng, H., Ibanez, G., Zheng, W., Tempel, W., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Brown, P.J., Min, J., Luo, M., Wu, H., Structural Genomics Consortium (SGC)
登録日2012-06-18
公開日2012-09-05
最終更新日2012-11-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Sinefungin Derivatives as Inhibitors and Structure Probes of Protein Lysine Methyltransferase SETD2.
J.Am.Chem.Soc., 134, 2012
4HSG
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CRYSTAL STRUCTURE OF HUMAN PRMT3 IN COMPLEX WITH AN ALLOSTERIC INHIBITOR (PRMT3- KTD)
分子名称:PRMT3 protein, 1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-phenylethyl)urea, 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2018-05-16
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
4IA9
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CRYSTAL STRUCTURE OF HUMAN WD REPEAT DOMAIN 5 IN COMPLEX WITH 2-CHLORO-4-FLUORO-3-METHYL-N-[2-(4-METHYLPIPERAZIN-1-YL)-5-NITROPHENYL]BENZAMIDE
分子名称:WD repeat-containing protein 5, 2-chloro-4-fluoro-3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide, 1,2-ETHANEDIOL, ...
著者Dong, A., Dombrovski, L., Bolshan, Y., Getlik, M., Tempel, W., Kuznetsova, E., Wasney, G.A., Hajian, T., Poda, G., Nguyen, K.T., Schapira, M., Brown, P.J., Al-awar, R., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Smil, D., Vedadi, M., Wu, H., Structural Genomics Consortium (SGC)
登録日2012-12-06
公開日2012-12-26
最終更新日2018-05-16
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Synthesis, Optimization, and Evaluation of Novel Small Molecules as Antagonists of WDR5-MLL Interaction.
ACS Med Chem Lett, 4, 2013
4IJ8
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CRYSTAL STRUCTURE OF THE COMPLEX OF SETD8 WITH SAM
分子名称:N-lysine methyltransferase SETD8, helical peptide, S-ADENOSYLMETHIONINE, ...
著者Yu, W., Tempel, W., Li, Y., El Bakkouri, M., Shapira, M., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Brown, P.J., Structural Genomics Consortium (SGC)
登録日2012-12-21
公開日2013-01-16
最終更新日2014-04-02
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the complex of SETD8 with SAM
To be Published
4IJD
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CRYSTAL STRUCTURE OF METHYLTRANSFERASE DOMAIN OF HUMAN PR DOMAIN-CONTAINING PROTEIN 9
分子名称:Histone-lysine N-methyltransferase PRDM9, ZINC ION, UNKNOWN ATOM OR ION
著者Dong, A., Dombrovski, L., Li, Y., Tempel, W., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Brown, P.J., Wu, H., Structural Genomics Consortium (SGC)
登録日2012-12-21
公開日2013-02-13
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of methyltransferase domain of human PR domain-containing protein 9
To be Published
4IKP
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CRYSTAL STRUCTURE OF COACTIVATOR-ASSOCIATED ARGININE METHYLTRANSFERASE 1 WITH METHYLENESINEFUNGIN
分子名称:Histone-arginine methyltransferase CARM1, (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, GLYCEROL, ...
著者Dong, A., Dombrovski, L., He, H., Ibanez, G., Wernimont, A., Zheng, W., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Brown, P.J., Min, J., Luo, M., Wu, H., Structural Genomics Consortium (SGC)
登録日2012-12-27
公開日2013-02-13
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin
TO BE PUBLISHED