2YK2
| Tricyclic series of Hsp90 inhibitors | 分子名称: | 1-(3H-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2H)-one, 4-(5-METHYL-4-PHENYLISOXAZOL-3-YL)BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Dupuy, A, Vallee, F. | 登録日 | 2011-05-25 | 公開日 | 2011-10-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 54, 2011
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2YJX
| Tricyclic series of Hsp90 inhibitors | 分子名称: | 1-(3H-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2H)-one, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Dupuy, A, Vallee, F. | 登録日 | 2011-05-24 | 公開日 | 2011-10-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 54, 2011
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5HNI
| CRYSTAL STRUCTURE OF CMET WT with compound 3 | 分子名称: | Hepatocyte growth factor receptor, methyl (6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1H-benzimidazol-2-yl)carbamate | 著者 | Vallee, F, Houtmann, J. | 登録日 | 2016-01-18 | 公開日 | 2016-11-23 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844). J.Med.Chem., 59, 2016
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5HO6
| CRYSTAL STRUCTURE OF CMET IN COMPLEX WITH CMPD. | 分子名称: | 1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea, Hepatocyte growth factor receptor | 著者 | Vallee, F, Houtmann, J. | 登録日 | 2016-01-19 | 公開日 | 2016-11-23 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844). J.Med.Chem., 59, 2016
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5HOR
| Crystal structure of c-Met-M1250T in complex with SAR125844. | 分子名称: | 1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea, Hepatocyte growth factor receptor | 著者 | Vallee, F, Houtmann, J, Marquette, J.-P. | 登録日 | 2016-01-19 | 公開日 | 2016-11-23 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844). J.Med.Chem., 59, 2016
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5HLW
| Crystal structure of c-Met mutant Y1230H in complex with compound 14 | 分子名称: | 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(6-{[6-(thiophen-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)urea, CHLORIDE ION, Hepatocyte growth factor receptor | 著者 | Vallee, F, Pouzieux, S, Marquette, J.P, Houtmann, J. | 登録日 | 2016-01-15 | 公開日 | 2016-11-23 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844). J.Med.Chem., 59, 2016
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5HOA
| Crystal structure of c-Met L1195V in complex with SAR125844 | 分子名称: | 1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea, Hepatocyte growth factor receptor | 著者 | Vallee, F, Marquette, J.-P. | 登録日 | 2016-01-19 | 公開日 | 2016-11-23 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844). J.Med.Chem., 59, 2016
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5FHX
| CRYSTAL STRUCTURE OF CODV IN COMPLEX WITH IL4 AT 2.55 Ang. RESOLUTION. | 分子名称: | Antibody fragment light chain, Interleukin-4, PHOSPHATE ION, ... | 著者 | Vallee, F, Dupuy, A, Rak, A. | 登録日 | 2015-12-22 | 公開日 | 2016-03-30 | 最終更新日 | 2018-10-24 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | CODV-Ig, a universal bispecific tetravalent and multifunctional immunoglobulin format for medical applications. Mabs, 8, 2016
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5HCG
| CRYSTAL STRUCTURE OF FREE-CODV. | 分子名称: | CODV heavy-chain, CODV light chain | 著者 | Vallee, F, Dupuy, A, Rak, A. | 登録日 | 2016-01-04 | 公開日 | 2016-03-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | CODV-Ig, a universal bispecific tetravalent and multifunctional immunoglobulin format for medical applications. Mabs, 8, 2016
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5BX0
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5LRL
| CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A003492875 | 分子名称: | 2-azanyl-5-chloranyl-~{N}-[(9~{R})-4-(1~{H}-imidazo[4,5-c]pyridin-2-yl)-9~{H}-fluoren-9-yl]pyrimidine-4-carboxamide, Heat shock protein HSP 90-alpha | 著者 | Vallee, F, Dupuy, A. | 登録日 | 2016-08-19 | 公開日 | 2017-08-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Estimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations. J.Chem.Inf.Model., 59, 2019
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3BM9
| Discovery of Benzisoxazoles as Potent Inhibitors of Chaperone Hsp90 | 分子名称: | 4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol, Heat shock protein HSP 90-alpha | 著者 | Gopalsamy, A, Shi, M, Vogan, E.M, Golas, J, Jacob, J, Johnson, J, Lee, F, Nilakantan, R, Peterson, R, Svenson, K, Tam, M.S, Wen, Y, Chopra, R, Ellingboe, J, Arndt, K, Boschelli, F. | 登録日 | 2007-12-12 | 公開日 | 2008-07-08 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery of benzisoxazoles as potent inhibitors of chaperone heat shock protein 90. J.Med.Chem., 51, 2008
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3BMY
| Discovery of Benzisoxazoles as Potent Inhibitors of Chaperone Hsp90 | 分子名称: | 4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol, Heat shock protein HSP 90-alpha | 著者 | Gopalsamy, A, Shi, M, Vogan, E.M, Golas, J, Jacob, J, Johnson, J, Lee, F, Nilakantan, R, Peterson, R, Svenson, K, Tam, M.S, Wen, Y, Chopra, R, Ellingboe, J, Arndt, K, Boschelli, F. | 登録日 | 2007-12-13 | 公開日 | 2008-07-08 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery of benzisoxazoles as potent inhibitors of chaperone heat shock protein 90. J.Med.Chem., 51, 2008
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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 | 2011-07-13 | 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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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 | 2024-01-10 | 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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1G6I
| Crystal structure of the yeast alpha-1,2-mannosidase with bound 1-deoxymannojirimycin at 1.59 A resolution | 分子名称: | 1-DEOXYMANNOJIRIMYCIN, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Herscovics, A, Lipari, F, Sleno, B, Romera, P.A, Vallee, F, Yip, P, Howell, P.A. | 登録日 | 2000-11-06 | 公開日 | 2003-06-24 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Structure and function of Class I a1,2-mannosidases involved
in glycoprotein biosynthesis. CARBOHYDRATE BIOENGINEERING. INTERDISCIPLINARY APPROACHES., 2002
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1KRF
| STRUCTURE OF P. CITRINUM ALPHA 1,2-MANNOSIDASE REVEALS THE BASIS FOR DIFFERENCES IN SPECIFICITY OF THE ER AND GOLGI CLASS I ENZYMES | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, KIFUNENSINE, ... | 著者 | Lobsanov, Y.D, Vallee, F, Imberty, A, Yoshida, T, Yip, P, Herscovics, A, Howell, P.L. | 登録日 | 2002-01-09 | 公開日 | 2002-02-20 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure of Penicillium citrinum alpha 1,2-mannosidase reveals the basis for differences in specificity of the endoplasmic reticulum and Golgi class I enzymes. J.Biol.Chem., 277, 2002
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1KRE
| STRUCTURE OF P. CITRINUM ALPHA 1,2-MANNOSIDASE REVEALS THE BASIS FOR DIFFERENCES IN SPECIFICITY OF THE ER AND GOLGI CLASS I ENZYMES | 分子名称: | 1-DEOXYMANNOJIRIMYCIN, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Lobsanov, Y.D, Vallee, F, Imberty, A, Yoshida, T, Yip, P, Herscovics, A, Howell, P.L. | 登録日 | 2002-01-09 | 公開日 | 2002-02-20 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure of Penicillium citrinum alpha 1,2-mannosidase reveals the basis for differences in specificity of the endoplasmic reticulum and Golgi class I enzymes. J.Biol.Chem., 277, 2002
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3ZLS
| Crystal structure of MEK1 in complex with fragment 6 | 分子名称: | 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, SODIUM ION | 著者 | Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. | 登録日 | 2013-02-04 | 公開日 | 2013-05-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1. Bioorg.Med.Chem.Lett., 23, 2013
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3ZM4
| Crystal structure of MEK1 in complex with fragment 1 | 分子名称: | 7-chloranyl-6-[(3S)-pyrrolidin-3-yl]oxy-2H-isoquinolin-1-one, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 | 著者 | Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. | 登録日 | 2013-02-05 | 公開日 | 2013-05-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1. Bioorg.Med.Chem.Lett., 23, 2013
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3ZLY
| Crystal structure of MEK1 in complex with fragment 8 | 分子名称: | 3-AMINO-1H-INDAZOLE-4-CARBONITRILE, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, SODIUM ION | 著者 | Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. | 登録日 | 2013-02-04 | 公開日 | 2013-05-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1. Bioorg.Med.Chem.Lett., 23, 2013
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3ZLW
| Crystal structure of MEK1 in complex with fragment 3 | 分子名称: | (1R)-1-hydroxy-1-methyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 MAPK/ERK KINASE 1, MEK 1, ... | 著者 | Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. | 登録日 | 2013-02-04 | 公開日 | 2013-05-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1. Bioorg.Med.Chem.Lett., 23, 2013
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3ZLX
| Crystal structure of MEK1 in complex with fragment 18 | 分子名称: | 7-choro-6-[(3R)-pyrrolidin-3-ylmethoxy]isoquinolin-1(2H)-one, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 | 著者 | Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. | 登録日 | 2013-02-04 | 公開日 | 2013-05-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1. Bioorg.Med.Chem.Lett., 23, 2013
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1KKT
| Structure of P. citrinum alpha 1,2-mannosidase reveals the basis for differences in specificity of the ER and Golgi Class I enzymes | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Mannosyl-oligosaccharide alpha-1,2-mannosidase, ... | 著者 | Lobsanov, Y.D, Vallee, F, Imberty, A, Yoshida, T, Yip, P, Herscovics, A, Howell, P.L. | 登録日 | 2001-12-10 | 公開日 | 2002-01-23 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure of Penicillium citrinum alpha 1,2-mannosidase reveals the basis for differences in specificity of the endoplasmic reticulum and Golgi class I enzymes. J.Biol.Chem., 277, 2002
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