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1O6E
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BU of 1o6e by Molmil
Epstein-Barr virus protease
分子名称: CAPSID PROTEIN P40, PHOSPHORYLISOPROPANE
著者Buisson, M, Hernandez, J, Lascoux, D, Schoehn, G, Forest, E, Arlaud, G, Seigneurin, J, Ruigrok, R.W.H, Burmeister, W.P.
登録日2002-09-13
公開日2002-11-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Crystal Structure of the Epstein-Barr Virus Protease Shows Rearrangement of the Processed C Terminus
J.Mol.Biol., 324, 2002
2W4B
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BU of 2w4b by Molmil
Epstein-Barr virus alkaline nuclease D203S mutant
分子名称: ALKALINE EXONUCLEASE
著者Buisson, M, Geoui, T, Flot, D, Tarbouriech, N, Burmeister, W.P.
登録日2008-11-24
公開日2009-06-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献A Bridge Crosses the Active Site Canyon of the Epstein-Barr Virus Nuclease with DNase and Rnase Activity.
J.Mol.Biol., 391, 2009
2W45
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Epstein-Barr virus alkaline nuclease
分子名称: ALKALINE EXONUCLEASE
著者Buisson, M, Geoui, T, Flot, D, Tarbouriech, N, Burmeister, W.P.
登録日2008-11-21
公開日2009-06-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A Bridge Crosses the Active Site Canyon of the Epstein-Barr Virus Nuclease with DNase and Rnase Activity.
J.Mol.Biol., 391, 2009
3D15
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BU of 3d15 by Molmil
Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-(3-chloro-phenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)- ethyl]-thiazol-2-yl}-urea [SNS-314]
分子名称: 1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea, serine/threonine kinase 6
著者Elling, R.A, Bui, M, Allen, D.A, Oslob, J.D, Romanowski, M.J.
登録日2008-05-04
公開日2009-05-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of a potent and selective aurora kinase inhibitor.
Bioorg.Med.Chem.Lett., 18, 2008
4PB6
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BU of 4pb6 by Molmil
Feline calicivirus VP1 T=1 virus-like particle
分子名称: VP1
著者Burmeister, W.P, Buisson, M.
登録日2014-04-11
公開日2015-04-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (8 Å)
主引用文献Structure determination of feline calicivirus virus-like particles in the context of a pseudo-octahedral arrangement.
Plos One, 10, 2015
2BSY
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Epstein Barr Virus dUTPase
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE, SULFATE ION
著者Tarbouriech, N, Buisson, M, Seigneurin, J.-M, Cusack, S, Burmeister, W.P.
登録日2005-05-24
公開日2005-09-15
最終更新日2023-03-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Monomeric Dutpase from Epstein-Barr Virus Mimics Trimeric Dutpases
Structure, 13, 2005
2WE1
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EBV dUTPase mutant Asp131Asn with bound dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE, SULFATE ION
著者Freeman, L, Buisson, M, Tarbouriech, N, Burmeister, W.P.
登録日2009-03-27
公開日2009-07-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Flexible Motif V of Epstein-Barr Virus Deoxyuridine 5'-Triphosphate Pyrophosphatase is Essential for Catalysis.
J.Biol.Chem., 284, 2009
2WE2
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EBV dUTPase double mutant Gly78Asp-Asp131Ser with dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE, SULFATE ION
著者Freeman, L, Buisson, M, Tarbouriech, N, Burmeister, W.P.
登録日2009-03-27
公開日2009-07-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Flexible Motif V of Epstein-Barr Virus Deoxyuridine 5'-Triphosphate Pyrophosphatase is Essential for Catalysis.
J.Biol.Chem., 284, 2009
2WE0
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EBV dUTPase mutant Cys4Ser
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE, MALATE LIKE INTERMEDIATE, ...
著者Freeman, L, Buisson, M, Tarbouriech, N, Burmeister, W.P.
登録日2009-03-27
公開日2009-07-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The Flexible Motif V of Epstein-Barr Virus Deoxyuridine 5'-Triphosphate Pyrophosphatase is Essential for Catalysis.
J.Biol.Chem., 284, 2009
2WE3
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EBV dUTPase inactive mutant deleted of motif V
分子名称: DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE, DEOXYURIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Freeman, L, Buisson, M, Tarbouriech, N, Burmeister, W.P.
登録日2009-03-27
公開日2009-07-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Flexible Motif V of Epstein-Barr Virus Deoxyuridine 5'-Triphosphate Pyrophosphatase is Essential for Catalysis.
J.Biol.Chem., 284, 2009
2BT1
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Epstein Barr Virus dUTPase in complex with a,b-imino dUTP
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE, MAGNESIUM ION
著者Tarbouriech, N, Buisson, M, Seigneurin, J.-M, Cusack, S, Burmeister, W.P.
登録日2005-05-24
公開日2005-09-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Monomeric Dutpase from Epstein-Barr Virus Mimics Trimeric Dutpases
Structure, 13, 2005
2J8X
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Epstein-Barr virus uracil-DNA glycosylase in complex with Ugi from PBS-2
分子名称: URACIL-DNA GLYCOSYLASE, URACIL-DNA GLYCOSYLASE INHIBITOR, UREA
著者Geoui, T, Buisson, M, Tarbouriech, N, Burmeister, W.P.
登録日2006-10-31
公開日2006-12-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献New Insights on the Role of the Gamma-Herpesvirus Uracil-DNA Glycosylase Leucine Loop Revealed by the Structure of the Epstein-Barr Virus Enzyme in Complex with an Inhibitor Protein.
J.Mol.Biol., 366, 2007
6VN4
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BU of 6vn4 by Molmil
USP7 IN COMPLEX WITH LIGAND COMPOUND 1
分子名称: 3-({4-hydroxy-1-[(2R)-2-methyl-3-phenylpropanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7
著者Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M.
登録日2020-01-29
公開日2020-04-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
3DBF
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BU of 3dbf by Molmil
Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 562
分子名称: 4-({1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl}amino)-3-methoxy-N-(1-methylpipe ridin-4-yl)benzamide, Polo-like kinase
著者Elling, R.A, Zhu, J, Barr, K.J, Romanowski, M.J.
登録日2008-05-31
公開日2008-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
7N4S
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BU of 7n4s by Molmil
Bruton's tyrosine kinase in complex with compound 65
分子名称: (3R,3'R)-3-anilino-1'-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)[1,3'-bipiperidin]-2-one, Tyrosine-protein kinase BTK
著者Metrick, C.M, Marcotte, D.J.
登録日2021-06-04
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 44, 2021
7N4R
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Bruton's tyrosine kinase in complex with compound 21
分子名称: DIMETHYL SULFOXIDE, N-{2-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl}-N~2~-phenylglycinamide, Tyrosine-protein kinase BTK
著者Metrick, C.M, Marcotte, D.J.
登録日2021-06-04
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 44, 2021
7N4Q
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BU of 7n4q by Molmil
Bruton's tyrosine kinase in complex with compound 45
分子名称: (2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide, Tyrosine-protein kinase BTK
著者Metrick, C.M, Marcotte, D.J.
登録日2021-06-04
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 44, 2021
5KAE
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BU of 5kae by Molmil
Crystal structure of human PI3K-gamma in complex with quinoline-containing inhibitor 5g
分子名称: 4-azanyl-6-[[(1~{S})-1-(6-fluoranyl-3-phenyl-4-piperazin-1-ylcarbonyl-quinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2016-06-01
公開日2017-06-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery and in vivo evaluation of the potent and selective PI3K-delta inhibitors AM-0687 and AM-1430
To Be Published
3D14
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Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)-ethyl]- thiazol-2-yl}-3-(3-trifluoromethyl-phenyl)-urea
分子名称: 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea, serine/threonine kinase 6
著者Elling, R.A, Baskaran, S, Allen, D.A, Oslob, J.D, Romanowski, M.J.
登録日2008-05-04
公開日2008-08-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a potent and selective aurora kinase inhibitor.
Bioorg.Med.Chem.Lett., 18, 2008
6NZM
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BU of 6nzm by Molmil
Brutons tyrosine kinase in complex with compound 50.
分子名称: 1,2-ETHANEDIOL, N-[2-fluoro-6-(pyrrolidin-1-yl)phenyl]-N'-{3-[(2R)-1-(2-hydroxyethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl}urea, Tyrosine-protein kinase BTK
著者Marcotte, D.J.
登録日2019-02-14
公開日2019-06-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Optimization of novel reversible Bruton's tyrosine kinase inhibitors identified using Tethering-fragment-based screens.
Bioorg.Med.Chem., 27, 2019
6VN2
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USP7 IN COMPLEX WITH LIGAND COMPOUND 18
分子名称: 1-({7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)-1H-pyrrole-2,5-dione, ACETATE ION, Ubiquitin carboxyl-terminal hydrolase 7
著者Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M.
登録日2020-01-29
公開日2020-04-29
最終更新日2020-06-17
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
6VN3
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USP7 IN COMPLEX WITH LIGAND COMPOUND 23
分子名称: 1-{[7-(5-chloro-2-{[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}-1H-pyrrole-2,5-dione, Ubiquitin carboxyl-terminal hydrolase 7
著者Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M.
登録日2020-01-29
公開日2020-04-29
最終更新日2020-06-17
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
6VN6
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USP7 IN COMPLEX WITH LIGAND COMPOUND 14
分子名称: Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION, [(2R)-5-chloro-7-{2-[(2S)-1-chloro-2,3-dihydroxypropan-2-yl]thieno[3,2-b]pyridin-7-yl}-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone
著者Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M.
登録日2020-01-29
公開日2020-04-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
6VN5
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USP7 IN COMPLEX WITH LIGAND COMPOUND 7
分子名称: Ubiquitin carboxyl-terminal hydrolase 7, [(2R)-7-(2-aminopyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone
著者Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M.
登録日2020-01-29
公開日2020-04-29
最終更新日2020-06-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
3DBE
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Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 557
分子名称: 3'-chloro-5'-[6-({2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)-3-methyl-1H-pyrazolo[4,3-c]pyridin-1-yl]biphenyl-2-carboxamide, Polo-like kinase 1
著者Elling, R.A, Barr, K.J, Romanowski, M.J.
登録日2008-05-31
公開日2008-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.32 Å)
主引用文献Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008

 

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