Author results

1HKY
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SOLUTION STRUCTURE OF A PAN MODULE FROM EIMERIA TENELLA
Descriptor:MICRONEME PROTEIN 5 PRECURSOR
Authors:Brown, P.J., Mulvey, D., Potts, J.R., Tomley, F.M., Campbell, I.D.
Deposit date:2002-10-03
Release date:2002-10-17
Last modified:2011-07-13
Method:SOLUTION NMR
Cite: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
Descriptor:PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR-DELTA)), 5,8,11,14,17-EICOSAPENTAENOIC ACID
Authors: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.
Deposit date:1999-04-26
Release date:2000-04-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor:Histone-lysine N-methyltransferase, H3 lysine-9 specific 3, ZINC ION, ...
Authors: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)
Deposit date:2009-10-07
Release date:2009-11-10
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor:Lethal(3)malignant brain tumor-like protein, 3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]pyridine, SULFATE ION, ...
Authors: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)
Deposit date:2010-10-13
Release date:2010-11-03
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite: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
Descriptor:Histone-lysine N-methyltransferase EHMT2, ZINC ION, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors: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)
Deposit date:2011-04-15
Release date:2011-05-04
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.56 Å)
Cite: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
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
3SMR
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CRYSTAL STRUCTURE OF HUMAN WD REPEAT DOMAIN 5 WITH COMPOUND
Descriptor:WD repeat-containing protein 5, 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide, 1,2-ETHANEDIOL, ...
Authors: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)
Deposit date:2011-06-28
Release date:2011-08-31
Last modified:2018-05-16
Method:X-RAY DIFFRACTION (1.82 Å)
Cite: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
Descriptor: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), ...
Authors: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)
Deposit date:2011-07-14
Release date:2011-07-27
Last modified:2018-05-16
Method:X-RAY DIFFRACTION (2.28 Å)
Cite: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
Descriptor:Lethal(3)malignant brain tumor-like protein 3, COBALT (II) ION, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors: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)
Deposit date:2011-11-24
Release date:2011-12-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: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
Authors: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)
Deposit date:2011-12-02
Release date:2012-03-07
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: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, ...
Authors: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)
Deposit date:2011-12-02
Release date:2012-03-14
Last modified:2018-05-16
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: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, ...
Authors: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)
Deposit date:2012-03-12
Release date:2012-03-28
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor:Histone-lysine N-methyltransferase, H3 lysine-79 specific, 5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosine, ...
Authors: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)
Deposit date:2012-04-19
Release date:2012-05-02
Last modified:2018-05-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor:Histone-lysine N-methyltransferase, H3 lysine-79 specific, 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine, ...
Authors: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)
Deposit date:2012-04-19
Release date:2012-05-02
Last modified:2018-05-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: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, ...
Authors: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)
Deposit date:2012-04-19
Release date:2012-05-16
Last modified:2018-05-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: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, ...
Authors: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)
Deposit date:2012-04-19
Release date:2012-05-16
Last modified:2018-05-16
Method:X-RAY DIFFRACTION (2.57 Å)
Cite: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
Descriptor:Histone-lysine N-methyltransferase, H3 lysine-79 specific, BROMIDE ION, ...
Authors: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)
Deposit date:2012-04-19
Release date:2012-05-16
Last modified:2018-05-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: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, ...
Authors: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)
Deposit date:2012-04-19
Release date:2012-05-16
Last modified:2018-05-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: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
Authors: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)
Deposit date:2012-06-14
Release date:2012-06-27
Last modified:2018-05-16
Method:X-RAY DIFFRACTION (2.55 Å)
Cite: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
Descriptor: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, ...
Authors: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)
Deposit date:2012-06-18
Release date:2012-09-05
Last modified:2012-11-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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)
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
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
Descriptor:WD repeat-containing protein 5, 2-chloro-4-fluoro-3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide, 1,2-ETHANEDIOL, ...
Authors: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)
Deposit date:2012-12-06
Release date:2012-12-26
Last modified:2018-05-16
Method:X-RAY DIFFRACTION (1.66 Å)
Cite: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
Descriptor:N-lysine methyltransferase SETD8, helical peptide, S-ADENOSYLMETHIONINE, ...
Authors: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)
Deposit date:2012-12-21
Release date:2013-01-16
Last modified:2014-04-02
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor:Histone-lysine N-methyltransferase PRDM9, ZINC ION, UNKNOWN ATOM OR ION
Authors: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)
Deposit date:2012-12-21
Release date:2013-02-13
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: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, ...
Authors: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)
Deposit date:2012-12-27
Release date:2013-02-13
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin
TO BE PUBLISHED