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1AVA
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BU of 1ava by Molmil
AMY2/BASI PROTEIN-PROTEIN COMPLEX FROM BARLEY SEED
分子名称: BARLEY ALPHA-AMYLASE 2(CV MENUET), BARLEY ALPHA-AMYLASE/SUBTILISIN INHIBITOR, CALCIUM ION
著者Vallee, F, Kadziola, A, Bourne, Y, Juy, M, Svensson, B, Haser, R.
登録日1997-09-15
公開日1999-03-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Barley alpha-amylase bound to its endogenous protein inhibitor BASI: crystal structure of the complex at 1.9 A resolution.
Structure, 6, 1998
5T21
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BU of 5t21 by Molmil
CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR148019.
分子名称: 2-[(4-oxidanylcyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl)benzamide, Heat shock protein HSP 90-alpha
著者Vallee, F, Dupuy, A.
登録日2016-08-23
公開日2017-08-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR148019.
To Be Published
1DL2
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BU of 1dl2 by Molmil
CRYSTAL STRUCTURE OF CLASS I ALPHA-1,2-MANNOSIDASE FROM SACCHAROMYCES CEREVISIAE AT 1.54 ANGSTROM RESOLUTION
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CLASS I ALPHA-1,2-MANNOSIDASE, ...
著者Vallee, F, Lipari, F, Yip, P, Herscovics, A, Howell, P.L.
登録日1999-12-08
公開日2000-02-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Crystal structure of a class I alpha1,2-mannosidase involved in N-glycan processing and endoplasmic reticulum quality control.
EMBO J., 19, 2000
1DCN
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BU of 1dcn by Molmil
INACTIVE MUTANT H162N OF DELTA 2 CRYSTALLIN WITH BOUND ARGININOSUCCINATE
分子名称: ARGININOSUCCINATE, DELTA 2 CRYSTALLIN
著者Vallee, F, Turner, M.A, Lindley, P, Howell, P.L.
登録日1998-10-29
公開日1999-04-27
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of an inactive duck delta II crystallin mutant with bound argininosuccinate.
Biochemistry, 38, 1999
1FMI
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BU of 1fmi by Molmil
CRYSTAL STRUCTURE OF HUMAN CLASS I ALPHA1,2-MANNOSIDASE
分子名称: CALCIUM ION, ENDOPLASMIC RETICULUM ALPHA-MANNOSIDASE I, SULFATE ION
著者Vallee, F, Karaveg, K, Herscovics, A, Moremen, K.W, Howell, P.L.
登録日2000-08-17
公開日2001-01-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for catalysis and inhibition of N-glycan processing class I alpha 1,2-mannosidases.
J.Biol.Chem., 275, 2000
1FO3
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BU of 1fo3 by Molmil
CRYSTAL STRUCTURE OF HUMAN CLASS I ALPHA1,2-MANNOSIDASE IN COMPLEX WITH KIFUNENSINE
分子名称: ALPHA1,2-MANNOSIDASE, CALCIUM ION, KIFUNENSINE, ...
著者Vallee, F, Karaveg, K, Moremen, K.W, Herscovics, A, Howell, P.L.
登録日2000-08-24
公開日2001-01-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for catalysis and inhibition of N-glycan processing class I alpha 1,2-mannosidases.
J.Biol.Chem., 275, 2000
1FO2
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BU of 1fo2 by Molmil
CRYSTAL STRUCTURE OF HUMAN CLASS I ALPHA1,2-MANNOSIDASE IN COMPLEX WITH 1-DEOXYMANNOJIRIMYCIN
分子名称: 1-DEOXYMANNOJIRIMYCIN, ALPHA1,2-MANNOSIDASE, CALCIUM ION, ...
著者Vallee, F, Karaveg, K, Moremen, K.W, Herscovics, A, Howell, P.L.
登録日2000-08-24
公開日2001-01-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structural basis for catalysis and inhibition of N-glycan processing class I alpha 1,2-mannosidases.
J.Biol.Chem., 275, 2000
4CP6
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BU of 4cp6 by Molmil
The Crystal structure of Pneumococcal vaccine antigen PcpA
分子名称: CHOLINE BINDING PROTEIN PCPA
著者Vallee, F, Steier, V, Oloo, E, Chawla, D, Vonrhein, C, Steinmetz, A, Mathieu, M, Rak, A, Mikol, V, Oomen, R.
登録日2014-01-31
公開日2015-02-25
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献The Crystal Structure of Pneumoccocal Vaccine Antigen Pcpa
To be Published
5LQ9
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BU of 5lq9 by Molmil
CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR200323.
分子名称: 4-(3-methyl-4-quinolin-3-yl-indazol-1-yl)-2-[(4-oxidanylcyclohexyl)amino]benzamide, Heat shock protein HSP 90-alpha
著者Vallee, F, Dupuy, A.
登録日2016-08-16
公開日2017-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR200323.
To Be Published
5LR7
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BU of 5lr7 by Molmil
CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR567530
分子名称: Heat shock protein HSP 90-alpha, ~{N}-[(9~{R})-4-(5-fluoranyl-1~{H}-benzimidazol-2-yl)-9~{H}-fluoren-9-yl]-1~{H}-pyrrolo[2,3-b]pyridine-4-carboxamide
著者Vallee, F, Dupuy, A.
登録日2016-08-18
公開日2017-08-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR567530
To Be Published
5LS1
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BU of 5ls1 by Molmil
CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR166475
分子名称: 2-[(4-oxidanylidenecyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl)benzamide, Heat shock protein HSP 90-alpha
著者Vallee, F, Dupuy, A.
登録日2016-08-22
公開日2017-08-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR166475
To Be Published
5LR1
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BU of 5lr1 by Molmil
CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A003498614A.
分子名称: 4-chloranyl-7-[(4-chloranyl-3,5-dimethyl-pyridin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine, Heat shock protein HSP 90-alpha
著者Vallee, F, Dupuy, A.
登録日2016-08-18
公開日2017-08-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A003498614A.
To Be Published
5LRZ
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BU of 5lrz by Molmil
CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A003643501
分子名称: 6-bromanyl-~{N}-[(9~{R})-4-quinolin-3-yl-9~{H}-fluoren-9-yl]-3~{H}-imidazo[4,5-b]pyridine-7-carboxamide, Heat shock protein HSP 90-alpha
著者Vallee, F, Dupuy, A.
登録日2016-08-22
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A003643501
To Be Published
6SBO
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BU of 6sbo by Molmil
Estrogen receptor mutant L536S
分子名称: 6-(2,4-dichlorophenyl)-5-[4-[(3~{S})-1-(3-fluoranylpropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7~{H}-benzo[7]annulene-2-carboxylic acid, Estrogen receptor
著者Vallee, F, Steier, V, Rak, A.
登録日2019-07-22
公開日2019-11-27
最終更新日2020-02-05
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Discovery of 6-(2,4-Dichlorophenyl)-5-[4-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid (SAR439859), a Potent and Selective Estrogen Receptor Degrader (SERD) for the Treatment of Estrogen-Receptor-Positive Breast Cancer.
J.Med.Chem., 63, 2020
5BX0
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BU of 5bx0 by Molmil
An Automated Microscale Thermophoresis Screening Approach for Fragment-Based Lead Discovery
分子名称: Dual specificity mitogen-activated protein kinase kinase 1, ethyl 2H-indazole-5-carboxylate
著者Vallee, F, Steier, V, Rak, A.
登録日2015-06-08
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献An Automated Microscale Thermophoresis Screening Approach for Fragment-Based Lead Discovery.
J Biomol Screen, 21, 2016
5FHX
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BU of 5fhx by Molmil
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
5HNI
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BU of 5hni by Molmil
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2019-10-16
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
5HO6
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BU of 5ho6 by Molmil
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2019-10-16
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
5HOR
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BU of 5hor by Molmil
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2019-10-16
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
5HLW
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BU of 5hlw by Molmil
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
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
5HOA
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BU of 5hoa by Molmil
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
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
2YKI
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BU of 2yki by Molmil
Tricyclic series of Hsp90 inhibitors
分子名称: 1-H-PYRROLO[2,3-B]PYRIDINE-4-CARBOXYLIC ACID [4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-9H-FLUOREN-9-YL]-AMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Dupuy, A, Vallee, F.
登録日2011-05-27
公開日2011-10-19
最終更新日2018-06-13
実験手法X-RAY DIFFRACTION (1.67 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
2YJX
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BU of 2yjx by Molmil
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2011-11-02
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
2YK2
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BU of 2yk2 by Molmil
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2011-11-02
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
2YK9
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BU of 2yk9 by Molmil
Tricyclic series of Hsp90 inhibitors
分子名称: 4-(1H-IMIDAZO[4,5-C]PYRIDIN-2-YL)FLUOREN-9-ONE, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Dupuy, A, Vallee, F.
登録日2011-05-26
公開日2011-10-26
最終更新日2011-11-02
実験手法X-RAY DIFFRACTION (1.32 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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