4CP6
 
 | | The Crystal structure of Pneumococcal vaccine antigen PcpA | | Descriptor: | CHOLINE BINDING PROTEIN PCPA | | Authors: | Vallee, F, Steier, V, Oloo, E, Chawla, D, Vonrhein, C, Steinmetz, A, Mathieu, M, Rak, A, Mikol, V, Oomen, R. | | Deposit date: | 2014-01-31 | | Release date: | 2015-02-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | The Crystal Structure of Pneumoccocal Vaccine Antigen Pcpa
To be Published
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5BX0
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7OYA
 | | Cryo-EM structure of the 1 hpf zebrafish embryo 80S ribosome | | Descriptor: | 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ... | | Authors: | Leesch, F, Lorenzo-Orts, L, Grishkovskaya, I, Kandolf, S, Belacic, K, Meinhart, A, Haselbach, D, Pauli, A. | | Deposit date: | 2021-06-24 | | Release date: | 2022-07-13 | | Last modified: | 2023-02-08 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | A molecular network of conserved factors keeps ribosomes dormant in the egg.
Nature, 613, 2023
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7OYB
 | | Cryo-EM structure of the 6 hpf zebrafish embryo 80S ribosome | | Descriptor: | 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ... | | Authors: | Leesch, F, Lorenzo-Orts, L, Grishkovskaya, I, Kandolf, S, Belacic, K, Meinhart, A, Haselbach, D, Pauli, A. | | Deposit date: | 2021-06-24 | | Release date: | 2022-07-13 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | A molecular network of conserved factors keeps ribosomes dormant in the egg.
Nature, 613, 2023
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7OYD
 | | Cryo-EM structure of a rabbit 80S ribosome with zebrafish Dap1b | | Descriptor: | 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ... | | Authors: | Leesch, F, Lorenzo-Orts, L, Grishkovskaya, I, Kandolf, S, Belacic, K, Meinhart, A, Haselbach, D, Pauli, A. | | Deposit date: | 2021-06-24 | | Release date: | 2022-07-20 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | A molecular network of conserved factors keeps ribosomes dormant in the egg.
Nature, 613, 2023
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7OYC
 | | Cryo-EM structure of the Xenopus egg 80S ribosome | | Descriptor: | 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ... | | Authors: | Leesch, F, Lorenzo-Orts, L, Grishkovskaya, I, Kandolf, S, Belacic, K, Meinhart, A, Haselbach, D, Pauli, A. | | Deposit date: | 2021-06-24 | | Release date: | 2022-07-20 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | A molecular network of conserved factors keeps ribosomes dormant in the egg.
Nature, 613, 2023
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6SBO
 | | Estrogen receptor mutant L536S | | Descriptor: | 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 | | Authors: | Vallee, F, Steier, V, Rak, A. | | Deposit date: | 2019-07-22 | | Release date: | 2019-11-27 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | 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
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5T21
 | | CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR148019. | | Descriptor: | 2-[(4-oxidanylcyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl)benzamide, Heat shock protein HSP 90-alpha | | Authors: | Vallee, F, Dupuy, A. | | Deposit date: | 2016-08-23 | | Release date: | 2017-08-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR148019.
To Be Published
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1DL2
 | | CRYSTAL STRUCTURE OF CLASS I ALPHA-1,2-MANNOSIDASE FROM SACCHAROMYCES CEREVISIAE AT 1.54 ANGSTROM RESOLUTION | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CLASS I ALPHA-1,2-MANNOSIDASE, ... | | Authors: | Vallee, F, Lipari, F, Yip, P, Herscovics, A, Howell, P.L. | | Deposit date: | 1999-12-08 | | Release date: | 2000-02-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Crystal structure of a class I alpha1,2-mannosidase involved in N-glycan processing and endoplasmic reticulum quality control.
EMBO J., 19, 2000
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1DCN
 | | INACTIVE MUTANT H162N OF DELTA 2 CRYSTALLIN WITH BOUND ARGININOSUCCINATE | | Descriptor: | ARGININOSUCCINATE, DELTA 2 CRYSTALLIN | | Authors: | Vallee, F, Turner, M.A, Lindley, P, Howell, P.L. | | Deposit date: | 1998-10-29 | | Release date: | 1999-04-27 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of an inactive duck delta II crystallin mutant with bound argininosuccinate.
Biochemistry, 38, 1999
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1FMI
 | | CRYSTAL STRUCTURE OF HUMAN CLASS I ALPHA1,2-MANNOSIDASE | | Descriptor: | CALCIUM ION, ENDOPLASMIC RETICULUM ALPHA-MANNOSIDASE I, SULFATE ION | | Authors: | Vallee, F, Karaveg, K, Herscovics, A, Moremen, K.W, Howell, P.L. | | Deposit date: | 2000-08-17 | | Release date: | 2001-01-17 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for catalysis and inhibition of N-glycan processing class I alpha 1,2-mannosidases.
J.Biol.Chem., 275, 2000
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1FO3
 | | CRYSTAL STRUCTURE OF HUMAN CLASS I ALPHA1,2-MANNOSIDASE IN COMPLEX WITH KIFUNENSINE | | Descriptor: | ALPHA1,2-MANNOSIDASE, CALCIUM ION, KIFUNENSINE, ... | | Authors: | Vallee, F, Karaveg, K, Moremen, K.W, Herscovics, A, Howell, P.L. | | Deposit date: | 2000-08-24 | | Release date: | 2001-01-17 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural basis for catalysis and inhibition of N-glycan processing class I alpha 1,2-mannosidases.
J.Biol.Chem., 275, 2000
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1FO2
 | | CRYSTAL STRUCTURE OF HUMAN CLASS I ALPHA1,2-MANNOSIDASE IN COMPLEX WITH 1-DEOXYMANNOJIRIMYCIN | | Descriptor: | 1-DEOXYMANNOJIRIMYCIN, ALPHA1,2-MANNOSIDASE, CALCIUM ION, ... | | Authors: | Vallee, F, Karaveg, K, Moremen, K.W, Herscovics, A, Howell, P.L. | | Deposit date: | 2000-08-24 | | Release date: | 2001-01-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structural basis for catalysis and inhibition of N-glycan processing class I alpha 1,2-mannosidases.
J.Biol.Chem., 275, 2000
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5LQ9
 | | CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR200323. | | Descriptor: | 4-(3-methyl-4-quinolin-3-yl-indazol-1-yl)-2-[(4-oxidanylcyclohexyl)amino]benzamide, Heat shock protein HSP 90-alpha | | Authors: | Vallee, F, Dupuy, A. | | Deposit date: | 2016-08-16 | | Release date: | 2017-08-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR200323.
To Be Published
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5LS1
 | | CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR166475 | | Descriptor: | 2-[(4-oxidanylidenecyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl)benzamide, Heat shock protein HSP 90-alpha | | Authors: | Vallee, F, Dupuy, A. | | Deposit date: | 2016-08-22 | | Release date: | 2017-08-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR166475
To Be Published
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5LR7
 | | CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR567530 | | Descriptor: | 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 | | Authors: | Vallee, F, Dupuy, A. | | Deposit date: | 2016-08-18 | | Release date: | 2017-08-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR567530
To Be Published
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5LR1
 | | CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A003498614A. | | Descriptor: | 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 | | Authors: | Vallee, F, Dupuy, A. | | Deposit date: | 2016-08-18 | | Release date: | 2017-08-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A003498614A.
To Be Published
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5LRL
 | | CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A003492875 | | Descriptor: | 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 | | Authors: | Vallee, F, Dupuy, A. | | Deposit date: | 2016-08-19 | | Release date: | 2017-08-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Estimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations.
J.Chem.Inf.Model., 59, 2019
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5LRZ
 | | CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A003643501 | | Descriptor: | 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 | | Authors: | Vallee, F, Dupuy, A. | | Deposit date: | 2016-08-22 | | Release date: | 2017-09-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A003643501
To Be Published
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5HNI
 | | CRYSTAL STRUCTURE OF CMET WT with compound 3 | | Descriptor: | 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 | | Authors: | Vallee, F, Houtmann, J. | | Deposit date: | 2016-01-18 | | Release date: | 2016-11-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | 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. | | Descriptor: | 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 | | Authors: | Vallee, F, Houtmann, J. | | Deposit date: | 2016-01-19 | | Release date: | 2016-11-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | 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. | | Descriptor: | 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 | | Authors: | Vallee, F, Houtmann, J, Marquette, J.-P. | | Deposit date: | 2016-01-19 | | Release date: | 2016-11-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 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 | | Descriptor: | 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 | | Authors: | Vallee, F, Pouzieux, S, Marquette, J.P, Houtmann, J. | | Deposit date: | 2016-01-15 | | Release date: | 2016-11-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | 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 | | Descriptor: | 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 | | Authors: | Vallee, F, Marquette, J.-P. | | Deposit date: | 2016-01-19 | | Release date: | 2016-11-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | 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. | | Descriptor: | Antibody fragment light chain, Interleukin-4, PHOSPHATE ION, ... | | Authors: | Vallee, F, Dupuy, A, Rak, A. | | Deposit date: | 2015-12-22 | | Release date: | 2016-03-30 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | CODV-Ig, a universal bispecific tetravalent and multifunctional immunoglobulin format for medical applications.
Mabs, 8, 2016
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