Author results

1GH2
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF A NEW HUMAN THIOREDOXIN-LIKE PROTEIN
Descriptor:THIOREDOXIN-LIKE PROTEIN
Authors:Jin, J., Chen, X., Guo, Q., Yuan, J., Qiang, B., Rao, Z.
Deposit date:2000-11-01
Release date:2001-05-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystal structure of the catalytic domain of a human thioredoxin-like protein.
Eur.J.Biochem., 269, 2002
5EMC
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TRANSCRIPTION FACTOR GRDBD AND SMGRE COMPLEX
Descriptor:DNA (5'-D(*CP*CP*AP*GP*AP*AP*(5CM)P*AP*TP*CP*AP*TP*GP*TP*TP*(5CM)P*TP*G)-3'), Glucocorticoid receptor, DNA (5'-D(*CP*CP*AP*GP*AP*AP*(5CM)P*AP*TP*GP*AP*TP*GP*TP*TP*(5CM)P*TP*G)-3'), ...
Authors:Su, X.D., Lian, T., Jin, J.
Deposit date:2015-11-06
Release date:2016-06-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The effects of cytosine methylation on general transcription factors
To Be Published
5T5G
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HUMAN SETD8 IN COMPLEX WITH MS2177
Descriptor:N-lysine methyltransferase KMT5A, UNKNOWN ATOM OR ION, 7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)-N-[5-(pyrrolidin-1-yl)pentyl]quinazolin-4-amine
Authors:Yu, W., Tempel, W., Babault, N., Ma, A., Butler, K.V., Jin, J., Arrowsmith, C.H., Bountra, C., Edwards, A.M., Brown, P.J., Structural Genomics Consortium (SGC)
Deposit date:2016-08-30
Release date:2016-09-28
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase.
J. Med. Chem., 59, 2016
5TH7
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COMPLEX OF SETD8 WITH MS453
Descriptor:N-lysine methyltransferase KMT5A, N-(3-{[6,7-dimethoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)propanamide, UNKNOWN ATOM OR ION, ...
Authors:Yu, W., Tempel, W., Babault, N., Ma, A., Butler, K.V., Jin, J., Arrowsmith, C.H., Bountra, C., Edwards, A.M., Brown, P.J., Structural Genomics Consortium (SGC)
Deposit date:2016-09-29
Release date:2016-11-09
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase.
J. Med. Chem., 59, 2016
5TTF
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CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF G9A WITH MS012
Descriptor:Histone-lysine N-methyltransferase EHMT2, ZINC ION, S-ADENOSYLMETHIONINE, ...
Authors:DONG, A., ZENG, H., LIU, J., XIONG, Y., BABAULT, N., JIN, J., TEMPEL, W., Bountra, C., Arrowsmith, C.H., Edwards, A.M., WU, H., BROWN, P.J., Structural Genomics Consortium (SGC)
Deposit date:2016-11-03
Release date:2016-12-21
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
J. Med. Chem., 60, 2017
5TTG
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CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF GLP WITH MS012
Descriptor:Histone-lysine N-methyltransferase EHMT1, S-ADENOSYLMETHIONINE, N4-(1-methylpiperidin-4-yl)-N2-hexyl-6,7-dimethoxyquinazoline-2,4-diamine, ...
Authors:DONG, A., ZENG, H., LIU, J., XIONG, Y., BABAULT, N., JIN, J., TEMPEL, W., Bountra, C., Arrowsmith, C.H., Edwards, A.M., WU, H., BROWN, P.J., Structural Genomics Consortium (SGC)
Deposit date:2016-11-03
Release date:2017-02-01
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
J. Med. Chem., 60, 2017
5TUY
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STRUCTURE OF HUMAN G9A SET-DOMAIN (EHMT2) IN COMPLEX WITH INHIBITOR MS0124
Descriptor:Histone-lysine N-methyltransferase EHMT2, ZINC ION, S-ADENOSYLMETHIONINE, ...
Authors:Babault, N., Xiong, Y., Liu, J., Jin, J.
Deposit date:2016-11-07
Release date:2017-02-22
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
J. Med. Chem., 60, 2017
5TUZ
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STRUCTURE OF HUMAN GLP SET-DOMAIN (EHMT1) IN COMPLEX WITH INHIBITOR MS0124
Descriptor:Histone-lysine N-methyltransferase EHMT1, S-ADENOSYLMETHIONINE, ZINC ION, ...
Authors:Babault, N., Xiong, Y., Liu, J., Jin, J.
Deposit date:2016-11-07
Release date:2017-02-22
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
J. Med. Chem., 60, 2017
6B1A
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STRUCTURE OF HUMAN NNMT IN COMPLEX WITH BISUBSTRATE INHIBITOR MS2756
Descriptor:Nicotinamide N-methyltransferase, (2~{R})-5-[2-(3-aminocarbonylphenyl)ethyl-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]amino]-2-azanyl-pentanoic acid, 1,2-ETHANEDIOL
Authors:Babault, N., Liu, J., Jin, J.
Deposit date:2017-09-18
Release date:2018-01-31
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Bisubstrate Inhibitors of Nicotinamide N-Methyltransferase (NNMT).
J. Med. Chem., 61, 2018
6CHH
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STRUCTURE OF HUMAN NNMT IN COMPLEX WITH BISUBSTRATE INHIBITOR MS2756
Descriptor:Nicotinamide N-methyltransferase, (2~{S})-5-[2-(3-aminocarbonylphenyl)ethyl-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]amino]-2-azanyl-pentanoic acid, 1,2-ETHANEDIOL
Authors:Babault, N., Liu, J., Jin, J.
Deposit date:2018-02-22
Release date:2018-06-13
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Bisubstrate Inhibitors of Nicotinamide N-Methyltransferase (NNMT).
J. Med. Chem., 61, 2018
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
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
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
4P0E
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YHDE E33A (P212121 SPACE GROUP)
Descriptor:Maf-like protein YhdE, PHOSPHATE ION, SULFATE ION
Authors:Jia, Z., Zheng, J., Jin, J., Wang, N.
Deposit date:2014-02-20
Release date:2014-04-30
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:YhdE E33A
To Be Published
4P0U
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YHDE E33A P4 SPACE GROUP
Descriptor:Maf-like protein YceF
Authors:Zheng, J., Jin, J., Wang, N., Jia, Z.
Deposit date:2014-02-23
Release date:2014-05-14
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:YhdE E33A p4 space group
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
4TRG
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THE SNL DOMAIN OF SIDC
Descriptor:SidC, MERCURY (II) ION
Authors:Hsu, F.S., Luo, X., Qiu, J., Teng, Y., Jin, J., Smolka, M.B., Luo, Z.Q., Mao, Y.
Deposit date:2014-06-16
Release date:2014-07-02
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:The Legionella effector SidC defines a unique family of ubiquitin ligases important for bacterial phagosomal remodeling.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TRH
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THE LEGIONELLA EFFECTOR SIDC DEFINES A UNIQUE FAMILY OF UBIQUITIN LIGASES IMPORTANT FOR BACTERIAL PHAGOSOMAL REMODELING
Descriptor:SidC
Authors:Hsu, F.S., Luo, X., Qiu, J., Teng, Y., Jin, J., Smolka, M.B., Luo, Z.Q., Mao, Y.
Deposit date:2014-06-16
Release date:2014-07-02
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:The Legionella effector SidC defines a unique family of ubiquitin ligases important for bacterial phagosomal remodeling.
Proc.Natl.Acad.Sci.USA, 111, 2014
4U0Q
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PLASMODIUM FALCIPARUM RETICULOCYTE-BINDING PROTEIN HOMOLOGUE 5 (PFRH5) BOUND TO BASIGIN
Descriptor:Reticulocyte binding protein 5, Basigin
Authors:Wright, K.E., Hjerrild, K.A., Bartlett, J., Douglas, A.D., Jin, J., Brown, R.E., Ashfield, R., Clemmensen, S.B., de Jongh, W.A., Draper, S.J., Higgins, M.K.
Deposit date:2014-07-14
Release date:2014-08-13
Last modified:2014-12-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of malaria invasion protein RH5 with erythrocyte basigin and blocking antibodies.
Nature, 515, 2014
4U0R
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PLASMODIUM FALCIPARUM RETICULOCYTE-BINDING PROTEIN HOMOLOGUE 5 (PFRH5) BOUND TO MONOCLONAL ANTIBODY 9AD4
Descriptor:Reticulocyte binding protein 5, Monoclonal antibody 9AD4 heavy chain, Monoclonal antibody 9AD4 light chain
Authors:Wright, K.E., Hjerrild, K.A., Bartlett, J., Douglas, A.D., Jin, J., Brown, R.E., Ashfield, R., Clemmensen, S.B., de Jongh, W.A., Draper, S.J., Higgins, M.K.
Deposit date:2014-07-14
Release date:2014-08-13
Last modified:2015-07-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of malaria invasion protein RH5 with erythrocyte basigin and blocking antibodies.
Nature, 515, 2014
4U1G
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PLASMODIUM FALCIPARUM RETICULOCYTE-BINDING PROTEIN HOMOLOGUE 5 (PFRH5) BOUND TO MONOCLONAL ANTIBODY QA1
Descriptor:Reticulocyte binding protein 5, QA1 monoclonal antibody heavy chain, QA1 monoclonal antibody light chain
Authors:Wright, K.E., Hjerrild, K.A., Bartlett, J., Douglas, A.D., Jin, J., Brown, R.E., Ashfield, R., Clemmensen, S.B., de Jongh, W.A., Draper, S.J., Higgins, M.K.
Deposit date:2014-07-15
Release date:2014-08-13
Last modified:2015-07-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of malaria invasion protein RH5 with erythrocyte basigin and blocking antibodies.
Nature, 515, 2014
5E8R
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HUMAN HMT1 HNRNP METHYLTRANSFERASE-LIKE PROTEIN 6 (S. CEREVISIAE)
Descriptor:Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE, N-methyl-N-({4-[4-(propan-2-yloxy)phenyl]-1H-pyrrol-3-yl}methyl)ethane-1,2-diamine, ...
Authors:DONG, A., ZENG, H., LIU, J., TEMPEL, W., Seitova, A., Hutchinson, A., Bountra, C., Arrowsmith, C.H., Edwards, A.M., JIN, J., BROWN, P.J., WU, H., Structural Genomics Consortium (SGC)
Deposit date:2015-10-14
Release date:2015-12-09
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:A Potent, Selective, and Cell-Active Inhibitor of Human Type I Protein Arginine Methyltransferases.
Acs Chem.Biol., 11, 2016
5V9I
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CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF G9A WITH MS0105
Descriptor:Histone-lysine N-methyltransferase EHMT2, ZINC ION, S-ADENOSYLMETHIONINE, ...
Authors:Dong, A., Zeng, H., Liu, J., Xiong, Y., Babault, N., Jin, J., Walker, J.R., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Wu, H., Brown, P.J., Structural Genomics Consortium (SGC)
Deposit date:2017-03-23
Release date:2018-03-21
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of catalytic domain of G9a with MS0105
to be published
5V9J
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CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF GLP WITH MS0105
Descriptor:Histone-lysine N-methyltransferase EHMT1, S-ADENOSYLMETHIONINE, N~2~-cyclohexyl-N~4~-(1-ethylpiperidin-4-yl)-6,7-dimethoxy-N~2~-methylquinazoline-2,4-diamine, ...
Authors:Dong, A., Zeng, H., Liu, J., Xiong, Y., Babault, N., Jin, J., Tempel, W., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Wu, H., Brown, P.J., Structural Genomics Consortium (SGC)
Deposit date:2017-03-23
Release date:2018-03-21
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of catalytic domain of GLP with MS0105
to be published
5VSC
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STRUCTURE OF HUMAN G9A SET-DOMAIN (EHMT2) IN COMPLEX WITH INHIBITOR 13
Descriptor:Histone-lysine N-methyltransferase EHMT2, ZINC ION, S-ADENOSYLMETHIONINE, ...
Authors:Babault, N., Xiong, Y., Liu, J., Jin, J.
Deposit date:2017-05-11
Release date:2017-07-12
Last modified:2017-08-02
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.
Bioorg. Med. Chem., 25, 2017