Author results

1GH2
  • Download 1gh2
  • View 1gh2
Molmil generated image of 1gh2
CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF A NEW HUMAN THIOREDOXIN-LIKE PROTEIN
分子名称:THIOREDOXIN-LIKE PROTEIN
著者Jin, J., Chen, X., Guo, Q., Yuan, J., Qiang, B., Rao, Z.
登録日2000-11-01
公開日2001-05-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Crystal structure of the catalytic domain of a human thioredoxin-like protein.
Eur.J.Biochem., 269, 2002
5EMC
  • Download 5emc
  • View 5emc
Molmil generated image of 5emc
TRANSCRIPTION FACTOR GRDBD AND SMGRE COMPLEX
分子名称: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'), ...
著者Su, X.D., Lian, T., Jin, J.
登録日2015-11-06
公開日2016-06-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The effects of cytosine methylation on general transcription factors
To Be Published
6B1A
  • Download 6b1a
  • View 6b1a
Molmil generated image of 6b1a
STRUCTURE OF HUMAN NNMT IN COMPLEX WITH BISUBSTRATE INHIBITOR MS2756
分子名称: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
著者Babault, N., Liu, J., Jin, J.
登録日2017-09-18
公開日2018-01-31
最終更新日2018-03-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Bisubstrate Inhibitors of Nicotinamide N-Methyltransferase (NNMT).
J. Med. Chem., 61, 2018
6CHH
  • Download 6chh
  • View 6chh
Molmil generated image of 6chh
STRUCTURE OF HUMAN NNMT IN COMPLEX WITH BISUBSTRATE INHIBITOR MS2756
分子名称: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
著者Babault, N., Liu, J., Jin, J.
登録日2018-02-22
公開日2018-06-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Bisubstrate Inhibitors of Nicotinamide N-Methyltransferase (NNMT).
J. Med. Chem., 61, 2018
3K5K
  • Download 3k5k
  • View 3k5k
Molmil generated image of 3k5k
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
3RJW
  • Download 3rjw
  • View 3rjw
Molmil generated image of 3rjw
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
4HSG
  • Download 4hsg
  • View 4hsg
Molmil generated image of 4hsg
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
4P0E
  • Download 4p0e
  • View 4p0e
Molmil generated image of 4p0e
YHDE E33A (P212121 SPACE GROUP)
分子名称:Maf-like protein YhdE, PHOSPHATE ION, SULFATE ION
著者Jia, Z., Zheng, J., Jin, J., Wang, N.
登録日2014-02-20
公開日2014-04-30
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献YhdE E33A
To Be Published
4P0U
  • Download 4p0u
  • View 4p0u
Molmil generated image of 4p0u
YHDE E33A P4 SPACE GROUP
分子名称:Maf-like protein YceF
著者Zheng, J., Jin, J., Wang, N., Jia, Z.
登録日2014-02-23
公開日2014-05-14
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献YhdE E33A p4 space group
To Be Published
4RYL
  • Download 4ryl
  • View 4ryl
Molmil generated image of 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:PRMT3 protein, 1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea, 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2017-11-22
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
4TRG
  • Download 4trg
  • View 4trg
Molmil generated image of 4trg
THE SNL DOMAIN OF SIDC
分子名称:SidC, MERCURY (II) ION
著者Hsu, F.S., Luo, X., Qiu, J., Teng, Y., Jin, J., Smolka, M.B., Luo, Z.Q., Mao, Y.
登録日2014-06-16
公開日2014-07-02
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献The Legionella effector SidC defines a unique family of ubiquitin ligases important for bacterial phagosomal remodeling.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TRH
  • Download 4trh
  • View 4trh
Molmil generated image of 4trh
THE LEGIONELLA EFFECTOR SIDC DEFINES A UNIQUE FAMILY OF UBIQUITIN LIGASES IMPORTANT FOR BACTERIAL PHAGOSOMAL REMODELING
分子名称:SidC
著者Hsu, F.S., Luo, X., Qiu, J., Teng, Y., Jin, J., Smolka, M.B., Luo, Z.Q., Mao, Y.
登録日2014-06-16
公開日2014-07-02
最終更新日2017-09-13
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献The Legionella effector SidC defines a unique family of ubiquitin ligases important for bacterial phagosomal remodeling.
Proc.Natl.Acad.Sci.USA, 111, 2014
4U0Q
  • Download 4u0q
  • View 4u0q
Molmil generated image of 4u0q
PLASMODIUM FALCIPARUM RETICULOCYTE-BINDING PROTEIN HOMOLOGUE 5 (PFRH5) BOUND TO BASIGIN
分子名称:Reticulocyte binding protein 5, Basigin
著者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.
登録日2014-07-14
公開日2014-08-13
最終更新日2014-12-03
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of malaria invasion protein RH5 with erythrocyte basigin and blocking antibodies.
Nature, 515, 2014
4U0R
  • Download 4u0r
  • View 4u0r
Molmil generated image of 4u0r
PLASMODIUM FALCIPARUM RETICULOCYTE-BINDING PROTEIN HOMOLOGUE 5 (PFRH5) BOUND TO MONOCLONAL ANTIBODY 9AD4
分子名称:Reticulocyte binding protein 5, Monoclonal antibody 9AD4 heavy chain, Monoclonal antibody 9AD4 light chain
著者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.
登録日2014-07-14
公開日2014-08-13
最終更新日2015-07-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of malaria invasion protein RH5 with erythrocyte basigin and blocking antibodies.
Nature, 515, 2014
4U1G
  • Download 4u1g
  • View 4u1g
Molmil generated image of 4u1g
PLASMODIUM FALCIPARUM RETICULOCYTE-BINDING PROTEIN HOMOLOGUE 5 (PFRH5) BOUND TO MONOCLONAL ANTIBODY QA1
分子名称:Reticulocyte binding protein 5, QA1 monoclonal antibody heavy chain, QA1 monoclonal antibody light chain
著者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.
登録日2014-07-15
公開日2014-08-13
最終更新日2015-07-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of malaria invasion protein RH5 with erythrocyte basigin and blocking antibodies.
Nature, 515, 2014
5E8R
  • Download 5e8r
  • View 5e8r
Molmil generated image of 5e8r
HUMAN HMT1 HNRNP METHYLTRANSFERASE-LIKE PROTEIN 6 (S. CEREVISIAE)
分子名称: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, ...
著者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)
登録日2015-10-14
公開日2015-12-09
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献A Potent, Selective, and Cell-Active Inhibitor of Human Type I Protein Arginine Methyltransferases.
Acs Chem.Biol., 11, 2016
5T5G
  • Download 5t5g
  • View 5t5g
Molmil generated image of 5t5g
HUMAN SETD8 IN COMPLEX WITH MS2177
分子名称: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
著者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)
登録日2016-08-30
公開日2016-09-28
最終更新日2018-05-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase.
J. Med. Chem., 59, 2016
5TH7
  • Download 5th7
  • View 5th7
Molmil generated image of 5th7
COMPLEX OF SETD8 WITH MS453
分子名称:N-lysine methyltransferase KMT5A, N-(3-{[6,7-dimethoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)propanamide, UNKNOWN ATOM OR ION, ...
著者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)
登録日2016-09-29
公開日2016-11-09
最終更新日2018-05-23
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase.
J. Med. Chem., 59, 2016
5TTF
  • Download 5ttf
  • View 5ttf
Molmil generated image of 5ttf
CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF G9A WITH MS012
分子名称:Histone-lysine N-methyltransferase EHMT2, ZINC ION, S-ADENOSYLMETHIONINE, ...
著者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)
登録日2016-11-03
公開日2016-12-21
最終更新日2018-05-23
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
J. Med. Chem., 60, 2017
5TTG
  • Download 5ttg
  • View 5ttg
Molmil generated image of 5ttg
CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF GLP WITH MS012
分子名称:Histone-lysine N-methyltransferase EHMT1, S-ADENOSYLMETHIONINE, N4-(1-methylpiperidin-4-yl)-N2-hexyl-6,7-dimethoxyquinazoline-2,4-diamine, ...
著者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)
登録日2016-11-03
公開日2017-02-01
最終更新日2018-05-23
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
J. Med. Chem., 60, 2017
5TUY
  • Download 5tuy
  • View 5tuy
Molmil generated image of 5tuy
STRUCTURE OF HUMAN G9A SET-DOMAIN (EHMT2) IN COMPLEX WITH INHIBITOR MS0124
分子名称:Histone-lysine N-methyltransferase EHMT2, ZINC ION, S-ADENOSYLMETHIONINE, ...
著者Babault, N., Xiong, Y., Liu, J., Jin, J.
登録日2016-11-07
公開日2017-02-22
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
J. Med. Chem., 60, 2017
5TUZ
  • Download 5tuz
  • View 5tuz
Molmil generated image of 5tuz
STRUCTURE OF HUMAN GLP SET-DOMAIN (EHMT1) IN COMPLEX WITH INHIBITOR MS0124
分子名称:Histone-lysine N-methyltransferase EHMT1, S-ADENOSYLMETHIONINE, ZINC ION, ...
著者Babault, N., Xiong, Y., Liu, J., Jin, J.
登録日2016-11-07
公開日2017-02-22
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
J. Med. Chem., 60, 2017
5V9I
  • Download 5v9i
  • View 5v9i
Molmil generated image of 5v9i
CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF G9A WITH MS0105
分子名称:Histone-lysine N-methyltransferase EHMT2, ZINC ION, S-ADENOSYLMETHIONINE, ...
著者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)
登録日2017-03-23
公開日2018-03-21
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structure of catalytic domain of G9a with MS0105
to be published
5V9J
  • Download 5v9j
  • View 5v9j
Molmil generated image of 5v9j
CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF GLP WITH MS0105
分子名称: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, ...
著者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)
登録日2017-03-23
公開日2018-03-21
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structure of catalytic domain of GLP with MS0105
to be published
5VSC
  • Download 5vsc
  • View 5vsc
Molmil generated image of 5vsc
STRUCTURE OF HUMAN G9A SET-DOMAIN (EHMT2) IN COMPLEX WITH INHIBITOR 13
分子名称:Histone-lysine N-methyltransferase EHMT2, ZINC ION, S-ADENOSYLMETHIONINE, ...
著者Babault, N., Xiong, Y., Liu, J., Jin, J.
登録日2017-05-11
公開日2017-07-12
最終更新日2017-08-02
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.
Bioorg. Med. Chem., 25, 2017