Author results

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
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
4L59
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CRYSTAL STRUCTURE OF THE 3-MBT REPEAT DOMAIN OF L3MBTL3 AND UNC2533 COMPLEX
Descriptor:Lethal(3)malignant brain tumor-like protein 3, 4-(pyrrolidin-1-yl)-1-{4-[2-(pyrrolidin-1-yl)ethyl]phenyl}piperidine, SULFATE ION, ...
Authors:Zhong, N., Dong, A., Ravichandran, M., Camerino, M.A., Dickson, B.M., James, L.I., Baughman, B.M., Norris, J.L., Kireev, D.B., Janzen, W.P., Graslund, S., Frye, S.V., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Brown, P.J., Structural Genomics Consortium (SGC)
Deposit date:2013-06-10
Release date:2013-07-10
Last modified:2018-05-16
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:The structure-activity relationships of L3MBTL3 inhibitors: flexibility of the dimer interface.
Medchemcomm, 4, 2013
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
3TCP
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF THE PROTO-ONCOGENE TYROSINE-PROTEIN KINASE MER IN COMPLEX WITH INHIBITOR UNC569
Descriptor:Tyrosine-protein kinase Mer, 1-[(trans-4-aminocyclohexyl)methyl]-N-butyl-3-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine, CHLORIDE ION, ...
Authors:Liu, J., Yang, C., Simpson, C., DeRyckere, D., Van Deusen, A., Miley, M., Kireev, D.B., Norris-Drouin, J., Sather, S., Hunter, D., Patel, H.S., Janzen, W.P., Machius, M., Johnson, G., Earp, H.S., Graham, D.K., Frye, S., Wang, X.
Deposit date:2011-08-09
Release date:2012-06-20
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Discovery of Novel Small Molecule Mer Kinase Inhibitors for the Treatment of Pediatric Acute Lymphoblastic Leukemia.
ACS Med Chem Lett, 3, 2012
4M3Q
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF THE PROTO-ONCOGENE TYROSINE-PROTEIN KINASE MER IN COMPLEX WITH INHIBITOR UNC1917
Descriptor:Tyrosine-protein kinase Mer, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Zhang, W., Zhang, D., Stashko, M.A., DeRyckere, D., Hunter, D., Kireev, D.B., Miley, M., Cummings, C., Lee, M., Norris-Drouin, J., Stewart, W.M., Sather, S., Zhou, Y., Kirkpatrick, G., Machius, M., Janzen, W.P., Earp, H.S., Graham, D.K., Frye, S., Wang, X.
Deposit date:2013-08-06
Release date:2013-11-27
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.718 Å)
Cite:Pseudo-Cyclization through Intramolecular Hydrogen Bond Enables Discovery of Pyridine Substituted Pyrimidines as New Mer Kinase Inhibitors.
J.Med.Chem., 56, 2013
4MH7
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF THE PROTO-ONCOGENE TYROSINE-PROTEIN KINASE MER IN COMPLEX WITH INHIBITOR UNC1896
Descriptor:Tyrosine-protein kinase Mer, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Zhang, W., McIver, A., Stashko, M.A., Deryckere, D., Branchford, B.R., Hunter, D., Kireev, D.B., Miley, M.J., Norris-Drouin, J., Stewart, W.M., Lee, M., Sather, S., Zhou, Y., DiPaola, J.A., Machius, M., Janzen, W.P., Earp, H.S., Graham, D.K., Frye, S., Wang, X.
Deposit date:2013-08-29
Release date:2014-05-21
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery of Mer specific tyrosine kinase inhibitors for the treatment and prevention of thrombosis.
J.Med.Chem., 56, 2013
4MHA
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF THE PROTO-ONCOGENE TYROSINE-PROTEIN KINASE MER IN COMPLEX WITH INHIBITOR UNC1817
Descriptor:Tyrosine-protein kinase Mer, CHLORIDE ION, 2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-(4-sulfamoylbenzyl)pyrimidine-5-carboxamide, ...
Authors:Zhang, W., Mciver, A., Stashko, M.A., Deryckere, D., Branchford, B.R., Hunter, D., Kireev, D.B., Miley, D.B.M., Norris-Drouin, J., Stewart, W.M., Lee, M., Sather, S., Zhou, Y., Dipaola, J.A., Machius, M., Janzen, W.P., Earp, H.S., Graham, D.K., Frye, S., Wang, X.
Deposit date:2013-08-29
Release date:2014-05-21
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Discovery of Mer specific tyrosine kinase inhibitors for the treatment and prevention of thrombosis.
J.Med.Chem., 56, 2013
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
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