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1A7G
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THE CRYSTAL STRUCTURE OF THE E2 DNA-BINDING DOMAIN FROM HUMAN PAPILLOMAVIRUS AT 2.4 ANGSTROMS
分子名称:REGULATORY PROTEIN E2, SULFATE ION
著者Bussiere, D.E., Giranda, V.L.
登録日1998-03-13
公開日1999-04-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the E2 DNA-binding domain from human papillomavirus serotype 31 at 2.4 A.
Acta Crystallogr.,Sect.D, 54, 1998
1BM9
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REPLICATION TERMINATOR PROTEIN FROM BACILLUS SUBTILIS
分子名称:REPLICATION TERMINATOR PROTEIN
著者Bussiere, D.E., Bastia, D., White, S.
登録日1998-07-29
公開日1999-01-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the replication terminator protein from B. subtilis at 2.6 A.
Cell(Cambridge,Mass.), 80, 1995
2ERC
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CRYSTAL STRUCTURE OF ERMC' A RRNA-METHYL TRANSFERASE
分子名称:RRNA METHYL TRANSFERASE
著者Bussiere, D.E., Muchmore, S.W., Dealwis, C.G., Schluckebier, G., Abad-Zapatero, C.
登録日1998-03-13
公開日1999-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Crystal structure of ErmC', an rRNA methyltransferase which mediates antibiotic resistance in bacteria.
Biochemistry, 37, 1998
6B8J
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CO-STRUCTURE OF HUMAN GLYCOGEN SYNTHASE KINASE BETA WITH A SELECTIVE (5-IMIDAZOL-2-YL-4-PHENYLPYRIMIDIN-2-YL)[2-(2-PYRIDYLAMINO)ETHYL]AMINE INHIBITOR
分子名称:Glycogen synthase kinase-3 beta, VAL-SEP-ARG-ARG, GLYCEROL, ...
著者Bussiere, D.E.
登録日2017-10-08
公開日2017-11-08
実験手法X-RAY DIFFRACTION (2.595 Å)
主引用文献Synthesis, Binding Mode, and Antihyperglycemic Activity of Potent and Selective (5-Imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine Inhibitors of Glycogen Synthase Kinase 3.
J. Med. Chem., 60, 2017
1T0A
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CRYSTAL STRUCTURE OF 2C-METHYL-D-ERYTHRITOL-2,4-CYCLODIPHOSPHATE SYNTHASE FROM SHEWANELLA ONEIDENSIS
分子名称:2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ZINC ION, COBALT (II) ION, ...
著者Ni, S., Robinson, H., Marsing, G.C., Bussiere, D.E., Kennedy, M.A.
登録日2004-04-08
公開日2004-10-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase from Shewanella oneidensis at 1.6 A: identification of farnesyl pyrophosphate trapped in a hydrophobic cavity.
Acta Crystallogr.,Sect.D, 60, 2004
1ZNO
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CRYSTAL STRUCTURE OF VC702 FROM VIBRIO CHOLERAE, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET: VCP1
分子名称:Hypothetical UPF0244 protein VC0702, MAGNESIUM ION
著者Ni, S., Forouhar, F., Bussiere, D.E., Robinson, H., Kennedy, M.A., Northeast Structural Genomics Consortium (NESG)
登録日2005-05-11
公開日2006-07-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of VC0702 at 2.0 A: conserved hypothetical protein from Vibrio cholerae.
Proteins, 63, 2006
2GDO
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4-(AMINOALKYLAMINO)-3-BENZIMIDAZOLE-QUINOLINONES AS POTENT CHK1 INHIBITORS
分子名称:Serine/threonine-protein kinase Chk1, SULFATE ION, 4-[(3S)-1-AZABICYCLO[2.2.2]OCT-3-YLAMINO]-3-(1H-BENZIMIDAZOL-2-YL)-6-CHLOROQUINOLIN-2(1H)-ONE
著者Le, V., Dove, J., Fang, E., Bussiere, D.E.
登録日2006-03-16
公開日2007-03-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献4-(Aminoalkylamino)-3-benzimidazole-quinolinones as potent CHK-1 inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
3K3B
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CO-CRYSTAL STRUCTURE OF THE HUMAN KINESIN EG5 WITH A NOVEL TETRAHYDRO-BETA-CARBOLINE
分子名称:Kinesin-like protein KIF11, MAGNESIUM ION, ADENOSINE-5'-DIPHOSPHATE, ...
著者Bussiere, D.E., Bellamacina, C., Le, V.
登録日2009-10-02
公開日2009-12-15
最終更新日2013-02-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The discovery of tetrahydro-beta-carbolines as inhibitors of the kinesin Eg5.
Bioorg.Med.Chem.Lett., 20, 2010
3TT0
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CO-STRUCTURE OF FIBROBLAST GROWTH FACTOR RECEPTOR 1 KINASE DOMAIN WITH 3-(2,6-DICHLORO-3,5-DIMETHOXY-PHENYL)-1-{6-[4-(4-ETHYL-PIPERAZIN-1-YL)-PHENYLAMINO]-PYRIMIDIN-4-YL}-1-METHYL-UREA (BGJ398)
分子名称:Basic fibroblast growth factor receptor 1, 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea, SULFATE ION, ...
著者Bussiere, D.E., Murray, J.M., Shu, W.
登録日2011-09-13
公開日2012-06-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of 3-(2,6-dichloro-3,5-dimethoxy-phenyl)-1-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-1-methyl-urea (NVP-BGJ398), a potent and selective inhibitor of the fibroblast growth factor receptor family of receptor tyrosine kinase.
J.Med.Chem., 54, 2011
1R44
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CRYSTAL STRUCTURE OF VANX
分子名称:D-alanyl-D-alanine dipeptidase, ZINC ION
著者Pratt, S.D., Katz, L., Severin, J.M., Holzman, T., Park, C.H.
登録日2003-10-03
公開日2004-06-15
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The Structure of VanX Reveals a Novel Amino-Dipeptidase Involved in Mediating Transposon-Based Vancomycin Resistance
Mol.Cell, 2, 1998
5U5H
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CRYSTAL STRUCTURE OF EED IN COMPLEX WITH 6-(2-FLUORO-5-METHOXYBENZYL)-1-ISOPROPYL-5,6,7,8-TETRAHYDROIMIDAZO[1,5-A]PYRIDIN-3-AMINE 6-(2-FLUORO-5-METHOXYBENZYL)-1-ISOPROPYL-5,6,7,8-TETRAHYDROIMIDAZO[1,5-A]PYRIDIN-3-AMINE
分子名称:Polycomb protein EED, (6S)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL
著者Bussiere, D., Shu, W.
登録日2016-12-06
公開日2017-01-11
最終更新日2017-01-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
5U5K
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CRYSTAL STRUCTURE OF EED IN COMPLEX WITH 3-(3-METHOXYBENZYL)PIPERIDINE HYDROCHLORIDE
分子名称:Polycomb protein EED, FORMIC ACID, (3R)-3-[(3-methoxyphenyl)methyl]piperidine
著者Bussiere, D., Shu, W.
登録日2016-12-06
公開日2017-01-11
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
5U5T
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CRYSTAL STRUCTURE OF EED IN COMPLEX WITH H3K27ME3 PEPTIDE AND 3-(BENZO[D][1,3]DIOXOL-4-YLMETHYL)PIPERIDINE-1-CARBOXIMIDAMIDE
分子名称:Polycomb protein EED, Histone-lysine N-methyltransferase EZH2, (3R)-3-[(2H-1,3-benzodioxol-4-yl)methyl]piperidine-1-carboximidamide, ...
著者Bussiere, D., Shu, W.
登録日2016-12-07
公開日2017-01-11
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
5U62
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CRYSTAL STRUCTURE OF EED IN COMPLEX WITH H3K27ME3 PEPTIDE AND 6-(BENZO[D][1,3]DIOXOL-4-YLMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,5-A]PYRIDIN-3-AMINE
分子名称:Polycomb protein EED, Histone-lysine N-methyltransferase EZH2, GLYCEROL, ...
著者Bussiere, D., Shu, W.
登録日2016-12-07
公開日2017-01-11
最終更新日2017-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
6B7A
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CRYSTAL STRUCTURE OF E.COLI PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE (PPAT/COAD) IN COMPLEX WITH 2-METHYL-1H-BENZO[D]IMIDAZOL-4-OL
分子名称:Phosphopantetheine adenylyltransferase, 2-methyl-1H-benzimidazol-7-ol, SULFATE ION, ...
著者Proudfoot, A.W., Bussiere, D., Lingel, A.
登録日2017-10-03
公開日2017-12-27
実験手法X-RAY DIFFRACTION (1.991 Å)
主引用文献High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J. Am. Chem. Soc., 139, 2017
6B7B
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CRYSTAL STRUCTURE OF E.COLI PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE (PPAT/COAD) IN COMPLEX WITH 5-METHOXY-2-METHYL-1H-INDOLE
分子名称:Phosphopantetheine adenylyltransferase, 5-methoxy-2-methyl-1H-indole, SULFATE ION, ...
著者Proudfoot, A.W., Bussiere, D., Lingel, A.
登録日2017-10-03
公開日2017-12-27
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J. Am. Chem. Soc., 139, 2017
6B7C
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CRYSTAL STRUCTURE OF E.COLI PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE (PPAT/COAD) IN COMPLEX WITH N-((1,3-DIMETHYL-1H-PYRAZOL-5-YL)METHYL)-5-METHYL-1H-IMIDAZO[4,5-B]PYRIDIN-2-AMINE
分子名称:Phosphopantetheine adenylyltransferase, N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-5-methyl-3H-imidazo[4,5-b]pyridin-2-amine, SULFATE ION, ...
著者Proudfoot, A.W., Bussiere, D., Lingel, A.
登録日2017-10-03
公開日2017-12-27
実験手法X-RAY DIFFRACTION (1.564 Å)
主引用文献High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J. Am. Chem. Soc., 139, 2017
6B7D
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CRYSTAL STRUCTURE OF E.COLI PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE (PPAT/COAD) IN COMPLEX WITH 3-(4-CHLOROPHENYL)-6-METHOXY-4,5-DIMETHYLPYRIDAZINE
分子名称:Phosphopantetheine adenylyltransferase, 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine, SULFATE ION, ...
著者Proudfoot, A.W., Bussiere, D., Lingel, A.
登録日2017-10-03
公開日2017-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J. Am. Chem. Soc., 139, 2017
6B7E
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CRYSTAL STRUCTURE OF E.COLI PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE (PPAT/COAD) IN COMPLEX WITH (R)-4-(5-(DIFLUOROMETHYL)-1H-IMIDAZOL-1-YL)-3,3-DIMETHYLISOCHROMAN-1-ONE
分子名称:Phosphopantetheine adenylyltransferase, SULFATE ION, DIMETHYL SULFOXIDE, ...
著者Proudfoot, A.W., Bussiere, D., Lingel, A.
登録日2017-10-03
公開日2017-12-27
実験手法X-RAY DIFFRACTION (2.104 Å)
主引用文献High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J. Am. Chem. Soc., 139, 2017
6B7F
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CRYSTAL STRUCTURE OF E.COLI PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE (PPAT/COAD) IN COMPLEX WITH (R)-3,3-DIMETHYL-4-(5-VINYL-1H-IMIDAZOL-1-YL)ISOCHROMAN-1-ONE
分子名称:Phosphopantetheine adenylyltransferase, DIMETHYL SULFOXIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Proudfoot, A.W., Bussiere, D., Lingel, A.
登録日2017-10-03
公開日2017-12-27
実験手法X-RAY DIFFRACTION (2.562 Å)
主引用文献High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J. Am. Chem. Soc., 139, 2017
4PH4
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THE CRYSTAL STRUCTURE OF HUMAN VPS34 IN COMPLEX WITH PIK-III
分子名称:Phosphatidylinositol 3-kinase catalytic subunit type 3, GLYCEROL, 4'-(cyclopropylmethyl)-N~2~-(pyridin-4-yl)-4,5'-bipyrimidine-2,2'-diamine
著者Knapp, M.S., Elling, R.A.
登録日2014-05-04
公開日2014-10-29
最終更新日2015-02-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Selective VPS34 inhibitor blocks autophagy and uncovers a role for NCOA4 in ferritin degradation and iron homeostasis in vivo.
Nat.Cell Biol., 16, 2014
4ZLO
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SERINE/THREONINE-PROTEIN KINASE PAK1 COMPLEXED WITH A DIBENZODIAZEPINE: IDENTIFICATION OF AN ALLOSTERIC SITE ON PAK1
分子名称:Serine/threonine-protein kinase PAK 1, 2,8-difluoro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine, GLYCEROL
著者Bellamacina, C.R., Bussiere, D.E.
登録日2015-05-01
公開日2015-08-05
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Acs Med.Chem.Lett., 6, 2015
5BUE
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ERK2 COMPLEXED WITH N-BENZYLPYRIDONE TETRAHYDROAZAINDAZOLE
分子名称:Mitogen-activated protein kinase 1, 1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, NICKEL (II) ION
著者Bellamacina, C.R., Shu, W., Bussiere, D.E., Bagdanoff, J.T.
登録日2015-06-03
公開日2015-07-15
最終更新日2015-08-12
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
5BUI
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ERK2 COMPLEXED WITH 2-PYRIDIYL TETRAHYDROAZAINDAZOLE
分子名称:Mitogen-activated protein kinase 1, NICKEL (II) ION, 3-(4-fluorophenyl)-5-(pyridin-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine
著者Bellamacina, C.R., Shu, W., Bussiere, D.E., Bagdanoff, J.T.
登録日2015-06-03
公開日2015-07-15
最終更新日2015-08-12
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
5BUJ
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ERK2 COMPLEXED WITH A N-H TETRAHYDROAZAINDAZOLE
分子名称:Mitogen-activated protein kinase 1, 4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one
著者Bellamacina, C.R., Shu, W., Bussiere, D.E., Bagdanoff, J.T.
登録日2015-06-03
公開日2015-07-15
最終更新日2015-08-12
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
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