5LX3
| CRYSTAL STRUCTURE OF VISFATIN IN COMPLEX WITH SAR154782. | 分子名称: | 6-[4-[(6-azanylpyridin-3-yl)methylcarbamoylamino]-3-fluoranyl-phenyl]-2-(ethylamino)-~{N}-(2-piperidin-1-ylethyl)pyridine-3-carboxamide, Nicotinamide phosphoribosyltransferase | 著者 | Bertrand, T, Marquette, J.P. | 登録日 | 2016-09-20 | 公開日 | 2017-10-25 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | CRYSTAL STRUCTURE OF VISFATIN IN COMPLEX WITH SAR154782. To Be Published
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5LX5
| CRYSTAL STRUCTURE OF VISFATIN IN COMPLEX WITH SAR154782-RP. | 分子名称: | DIPHOSPHATE, Nicotinamide phosphoribosyltransferase, [(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-5-[[[4-[6-(ethylamino)-5-(2-piperidin-1-ylethylcarbamoyl)pyridin-2-yl]-2-fluoranyl-phenyl]carbamoylamino]methyl]pyridin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | 著者 | Bertrand, T, Marquette, J.P. | 登録日 | 2016-09-20 | 公開日 | 2017-10-25 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | CRYSTAL STRUCTURE OF VISFATIN IN COMPLEX WITH SAR154782-RP To Be Published
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1SJ2
| Crystal structure of Mycobacterium tuberculosis catalase-peroxidase | 分子名称: | GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase/catalase T | 著者 | Bertrand, T, Eady, N.A.J, Jones, J.N, Bodiguel, J, Jesmin, Nagy, J.M, Raven, E.L, Jamart-Gregoire, B, Brown, K.A. | 登録日 | 2004-03-02 | 公開日 | 2004-07-20 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Crystal Structure of Mycobacterium tuberculosis Catalase-Peroxidase. J.Biol.Chem., 279, 2004
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3JWE
| Crystal structure of human mono-glyceride lipase in complex with SAR629 | 分子名称: | 1-[bis(4-fluorophenyl)methyl]-4-(1H-1,2,4-triazol-1-ylcarbonyl)piperazine, MGLL protein | 著者 | Bertrand, T, Auge, F, Houtmann, J, Rak, A, Vallee, F, Mikol, V, Berne, P.F, Michot, N, Cheuret, D, Hoornaert, C, Mathieu, M. | 登録日 | 2009-09-18 | 公開日 | 2010-01-26 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural basis for human monoglyceride lipase inhibition. J.Mol.Biol., 396, 2010
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3JW8
| Crystal structure of human mono-glyceride lipase | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, MGLL protein | 著者 | Bertrand, T, Auge, F, Houtmann, J, Rak, A, Vallee, F, Mikol, V, Berne, P.F, Michot, N, Cheuret, D, Hoornaert, C, Mathieu, M. | 登録日 | 2009-09-18 | 公開日 | 2010-01-26 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural basis for human monoglyceride lipase inhibition. J.Mol.Biol., 396, 2010
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1KYA
| ACTIVE LACCASE FROM TRAMETES VERSICOLOR COMPLEXED WITH 2,5-XYLIDINE | 分子名称: | 2,5-DIMETHYLANILINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ... | 著者 | Bertrand, T, Jolivalt, C, Briozzo, P, Caminade, E, Joly, N, Madzak, C, Mougin, C. | 登録日 | 2002-02-04 | 公開日 | 2002-06-19 | 最終更新日 | 2024-10-30 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structure of a four-copper laccase complexed with an arylamine: insights into substrate recognition and correlation with kinetics. Biochemistry, 41, 2002
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1KDR
| CYTIDINE MONOPHOSPHATE KINASE FROM E.COLI IN COMPLEX WITH ARA-CYTIDINE MONOPHOSPHATE | 分子名称: | CYTIDYLATE KINASE, CYTOSINE ARABINOSE-5'-PHOSPHATE, SULFATE ION | 著者 | Bertrand, T, Briozzo, P, Assairi, L, Ofiteru, A, Bucurenci, N, Munier-Lehmann, H, Golinelli-Pimpaneau, B, Barzu, O, Gilles, A.M. | 登録日 | 2001-11-13 | 公開日 | 2002-01-22 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Sugar specificity of bacterial CMP kinases as revealed by crystal structures and mutagenesis of Escherichia coli enzyme. J.Mol.Biol., 315, 2002
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1KDO
| CYTIDINE MONOPHOSPHATE KINASE FROM E. COLI IN COMPLEX WITH CYTIDINE MONOPHOSPHATE | 分子名称: | CYTIDINE-5'-MONOPHOSPHATE, CYTIDYLATE KINASE, SULFATE ION | 著者 | Bertrand, T, Briozzo, P, Assairi, L, Ofiteru, A, Bucurenci, N, Munier-Lehmann, H, Golinelli-Pimpaneau, B, Barzu, O, Gilles, A.M. | 登録日 | 2001-11-13 | 公開日 | 2002-01-22 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Sugar specificity of bacterial CMP kinases as revealed by crystal structures and mutagenesis of Escherichia coli enzyme. J.Mol.Biol., 315, 2002
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1KDP
| CYTIDINE MONOPHOSPHATE KINASE FROM E. COLI IN COMPLEX WITH 2'-DEOXY-CYTIDINE MONOPHOSPHATE | 分子名称: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, CYTIDYLATE KINASE, SULFATE ION | 著者 | Bertrand, T, Briozzo, P, Assairi, L, Ofiteru, A, Bucurenci, N, Munier-Lehmann, H, Golinelli-Pimpaneau, B, Barzu, O, Gilles, A.M. | 登録日 | 2001-11-13 | 公開日 | 2002-01-22 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Sugar specificity of bacterial CMP kinases as revealed by crystal structures and mutagenesis of Escherichia coli enzyme. J.Mol.Biol., 315, 2002
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1KDT
| CYTIDINE MONOPHOSPHATE KINASE FROM E.COLI IN COMPLEX WITH 2',3'-DIDEOXY-CYTIDINE MONOPHOSPHATE | 分子名称: | 2',3'-DIDEOXYCYTIDINE-5'-MONOPHOSPHATE, CYTIDYLATE KINASE, SULFATE ION | 著者 | Bertrand, T, Briozzo, P, Assairi, L, Ofiteru, A, Bucurenci, N, Munier-Lehmann, H, Golinelli-Pimpaneau, B, Barzu, O, Gilles, A.M. | 登録日 | 2001-11-13 | 公開日 | 2002-01-22 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Sugar specificity of bacterial CMP kinases as revealed by crystal structures and mutagenesis of Escherichia coli enzyme. J.Mol.Biol., 315, 2002
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4AT5
| CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH GW2580 | 分子名称: | 5-{3-methoxy-4-[(4-methoxybenzyl)oxy]benzyl}pyrimidine-2,4-diamine, BDNF/NT-3 GROWTH FACTORS RECEPTOR, GLYCEROL | 著者 | Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M. | 登録日 | 2012-05-03 | 公開日 | 2012-08-22 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition. J.Mol.Biol., 423, 2012
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4AT3
| CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH CPD5N | 分子名称: | (5Z)-5-(carbamoylimino)-3-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl]-2,5-dihydroisothiazole-4-carboxamide, BDNF/NT-3 GROWTH FACTORS RECEPTOR | 著者 | Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M. | 登録日 | 2012-05-03 | 公開日 | 2012-08-22 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition. J.Mol.Biol., 423, 2012
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4ASZ
| Crystal structure of apo TrkB kinase domain | 分子名称: | BDNF/NT-3 GROWTH FACTORS RECEPTOR | 著者 | Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M. | 登録日 | 2012-05-03 | 公開日 | 2012-08-22 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition. J.Mol.Biol., 423, 2012
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4AT4
| CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH EX429 | 分子名称: | 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea, BDNF/NT-3 GROWTH FACTORS RECEPTOR | 著者 | Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M. | 登録日 | 2012-05-03 | 公開日 | 2012-08-22 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition. J.Mol.Biol., 423, 2012
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7A47
| KRASG12C GDP form in complex with Cpd4 | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ~{N}-[3-bromanyl-2-(2-methylimidazol-1-yl)pyridin-4-yl]-3-[[3-bromanyl-2-(2-methylimidazol-1-yl)pyridin-4-yl]-propanoyl-amino]propanamide | 著者 | Bertrand, T, Steier, V. | 登録日 | 2020-08-19 | 公開日 | 2021-10-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | KRAS G12C fragment screening renders new binding pockets. Small Gtpases, 13, 2022
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6RO0
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6FG1
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6FG2
| CRYSTAL STRUCTURE OF FAB OF NATALIZUMAB IN COMPLEX WITH FAB OF NAA84. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEAVY CHAIN FAB NAA84, HEAVY CHAIN FAB NATALIZUMAB, ... | 著者 | Bertrand, T, Pouzieux, S. | 登録日 | 2018-01-09 | 公開日 | 2019-07-24 | 最終更新日 | 2024-10-23 | 実験手法 | X-RAY DIFFRACTION (2.788 Å) | 主引用文献 | A single T cell epitope drives the neutralizing anti-drug antibody response to natalizumab in multiple sclerosis patients. Nat. Med., 25, 2019
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4UWF
| Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | 分子名称: | (8S)-9-[3,5-bis(fluoranyl)phenyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3 | 著者 | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | 登録日 | 2014-08-12 | 公開日 | 2014-11-26 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | 主引用文献 | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxobutyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors. J.Med.Chem., 58, 2015
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2QJ6
| Crystal structure analysis of a 14 repeat C-terminal fragment of toxin TcdA in Clostridium difficile | 分子名称: | Toxin A | 著者 | Albesa-Jove, D, Bertrand, T, Carpenter, L, Lim, J, Brown, K.A, Fairweather, N. | 登録日 | 2007-07-06 | 公開日 | 2008-07-15 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Solution and crystal structures of the cell binding domain of toxins TcdA and TcdB from Clostridium difficile To be Published
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4V0I
| Water Network Determines Selectivity for a Series of Pyrimidone Indoline Amide PI3KBeta Inhibitors over PI3K-Delta | 分子名称: | 2-[2-(2-METHYL-2,3-DIHYDRO-INDOL-1-YL)-2-OXO-ETHYL]-6-MORPHOLIN-4-YL-3H-PYRIMIDIN-4-ONE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | 著者 | Robinson, D, Bertrand, T, Carry, J.C, Halley, F, Karlsson, A, Mathieu, M, Minoux, H, Perrin, M.A, Robert, B, Schio, L, Sherman, W. | 登録日 | 2014-09-16 | 公開日 | 2015-09-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | 主引用文献 | Differential Water Thermodynamics Determine Pi3K-Beta/Delta Selectivity for Solvent-Exposed Ligand Modifications. J.Chem.Inf.Model., 56, 2016
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4UUQ
| Crystal structure of human mono-glyceride lipase in complex with SAR127303 | 分子名称: | 4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid, MONOGLYCERIDE LIPASE | 著者 | Griebel, G, Pichat, P, Beeske, S, Leroy, T, Redon, N, Francon, D, Bert, L, Even, L, Lopez-Grancha, M, Tolstykh, T, Sun, F, Yu, Q, Brittain, S, Arlt, H, He, T, Zhang, B, Wiederschain, D, Bertrand, T, Houtman, J, Rak, A, Vallee, F, Michot, N, Auge, F, Menet, V, Bergis, O.E, George, P, Avenet, P, Mikol, V, Didier, M, Escoubet, J. | 登録日 | 2014-07-30 | 公開日 | 2015-01-21 | 最終更新日 | 2024-10-23 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Selective Blockade of the Hydrolysis of the Endocannabinoid 2-Arachidonoylglycerol Impairs Learning and Memory Performance While Producing Antinociceptive Activity in Rodents. Sci.Rep., 5, 2015
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4UWG
| Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | 分子名称: | (8S)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SULFATE ION | 著者 | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | 登録日 | 2014-08-12 | 公開日 | 2014-11-26 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxobutyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors. J.Med.Chem., 58, 2015
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4UWK
| Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | 分子名称: | (2S)-1-[(5-chloro-2-thienyl)methyl]-8-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidin-6-one, GLYCEROL, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, ... | 著者 | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | 登録日 | 2014-08-12 | 公開日 | 2014-11-26 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | 主引用文献 | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors. J.Med.Chem., 58, 2015
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4UWH
| Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | 分子名称: | (8S)-9-[(2R)-2-hydroxy-2-phenylethyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SODIUM ION | 著者 | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | 登録日 | 2014-08-12 | 公開日 | 2014-11-26 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors. J.Med.Chem., 58, 2015
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