4D76
 
 | | Human FXIa in complex with small molecule inhibitors. | | Descriptor: | COAGULATION FACTOR XI, GLYCEROL, N-[(2S)-1-({5-[(diaminomethylidene)amino]pentyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide, ... | | Authors: | Sandmark, J, Oster, L, Jacso, T, Ullah, V, Redzick, A, Borjesson, U, Olsson, T, Norberg, M, Akerud, T. | | Deposit date: | 2014-11-20 | | Release date: | 2016-01-20 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | From Mm Fragments to Nm Compounds Using Iloe-NMR to Guide Linking of Compounds in Fragment Based Drug Discovery (Fbdd).
To be Published
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4D7F
 | | Human FXIa in complex with small molecule inhibitors. | | Descriptor: | COAGULATION FACTOR XI, GLYCEROL, N-[(2S)-1-({4-[(diaminomethylidene)amino]butyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide, ... | | Authors: | Sandmark, J, Oster, L, Jacso, T, Ullah, V, Redzick, A, Borjesson, U, Olsson, T, Norberg, M, Akerud, T. | | Deposit date: | 2014-11-24 | | Release date: | 2016-01-20 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | From Mm Fragments to Nm Compounds Using Iloe-NMR to Guide Linking of Compounds in Fragment Based Drug Discovery (Fbdd).
To be Published
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4D7G
 | | Human FXIa in complex with small molecule inhibitors. | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COAGULATION FACTOR XIA, GLYCEROL, ... | | Authors: | Sandmark, J, Oster, L, Jacso, T, Ullah, V, Redzick, A, Borjesson, U, Olsson, T, Norberg, M, Akerud, T. | | Deposit date: | 2014-11-24 | | Release date: | 2016-01-20 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | From Mm Fragments to Nm Compounds Using Iloe-NMR to Guide Linking of Compounds in Fragment Based Drug Discovery (Fbdd).
To be Published
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4AJF
 | | Identification and structural characterization of PDE10 fragment inhibitors | | Descriptor: | CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, MAGNESIUM ION, ... | | Authors: | Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S. | | Deposit date: | 2012-02-16 | | Release date: | 2013-03-06 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification and Structural Characterization of Pde10 Fragment Inhibitors
To be Published
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4AJG
 | | Identification and structural characterization of PDE10 fragment inhibitors | | Descriptor: | CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, MAGNESIUM ION, ... | | Authors: | Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S. | | Deposit date: | 2012-02-16 | | Release date: | 2013-03-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification and Structural Characterization of Pde10 Fragment Inhibitors
To be Published
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4AJD
 | | Identification and structural characterization of PDE10 fragment inhibitors | | Descriptor: | 2-ETHYL-4-METHYL-PHTHALAZIN-1-ONE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ... | | Authors: | Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S. | | Deposit date: | 2012-02-16 | | Release date: | 2013-03-06 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification and Structural Characterization of Pde10 Fragment Inhibitors
To be Published
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4AJM
 | | Development of a plate-based optical biosensor methodology to identify PDE10 fragment inhibitors | | Descriptor: | 3-AMINO-6-FLUORO-2-[4-(2-METHYLPYRIDIN-4-YL)PHENYL]-N-(METHYLSULFONYL)QUINOLINE-4-CARBOXAMIDE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ... | | Authors: | Geschwindner, S, Johansson, P, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Albert, J.S. | | Deposit date: | 2012-02-16 | | Release date: | 2013-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Development of a Plate-Based Optical Biosensor Methodology to Identify Pde10 Fragment Inhibitors
To be Published
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4UY1
 | | Novel pyrazole series of group X Secretory Phospholipase A2 (sPLA2-X) inhibitors | | Descriptor: | 5-(2,5-DIMETHYL-3-THIENYL)-1H-PYRAZOLE-3-CARBOXAMIDE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sandmark, J, Oster, L, Hallberg, K, Bodin, C, Chen, H. | | Deposit date: | 2014-08-28 | | Release date: | 2014-10-15 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of a Novel Pyrazole Series of Group X Secreted Phospholipase A2 Inhibitor (Spla2X) Via Fragment Based Virtual Screening
Bioorg.Med.Chem.Lett., 24, 2014
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6G5J
 | | Secreted phospholipase A2 type X in complex with ligand | | Descriptor: | (3~{R})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sandmark, J, Oster, L. | | Deposit date: | 2018-03-29 | | Release date: | 2018-09-05 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Design of Selective sPLA2-X Inhibitor (-)-2-{2-[Carbamoyl-6-(trifluoromethoxy)-1H-indol-1-yl]pyridine-2-yl}propanoic Acid.
ACS Med Chem Lett, 9, 2018
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5OW8
 | | Indole-2 carboxamides as selective secreted phospholipase A2 type X (sPLA2-X) inhibitors | | Descriptor: | 1-[3-(trifluoromethyl)phenyl]indole-2-carboxamide, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Sandmark, J.S, Roth, R.G, Knerr, L, Bodin, C, Pettersen, D. | | Deposit date: | 2017-08-31 | | Release date: | 2018-08-01 | | Last modified: | 2021-05-05 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of a Series of Indole-2 Carboxamides as Selective Secreted Phospholipase A2Type X (sPLA2-X) Inhibitors.
Acs Med.Chem.Lett., 9, 2018
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5OWC
 | | Indole-2 carboxamides as selective secreted phospholipase A2 type X (sPLA2-X) inhibitors | | Descriptor: | 3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]propanoic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sandmark, J.S, Roth, R.G, Knerr, L, Bodin, C, Pettersen, D. | | Deposit date: | 2017-08-31 | | Release date: | 2018-08-01 | | Last modified: | 2021-05-05 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of a Series of Indole-2 Carboxamides as Selective Secreted Phospholipase A2Type X (sPLA2-X) Inhibitors.
Acs Med.Chem.Lett., 9, 2018
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5MR4
 | | Ligand-receptor complex. | | Descriptor: | DI(HYDROXYETHYL)ETHER, FORMIC ACID, GDNF family receptor alpha-2, ... | | Authors: | Sandmark, J, Oster, L, Aagaard, A, Roth, R.G, Dahl, G. | | Deposit date: | 2016-12-21 | | Release date: | 2018-01-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure and biophysical characterization of the human full-length neurturin-GFRa2 complex: A role for heparan sulfate in signaling.
J. Biol. Chem., 293, 2018
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5MR9
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5MR5
 | | Ligand-receptor complex. | | Descriptor: | GDNF family receptor alpha-2, GLYCEROL, Neurturin, ... | | Authors: | Sandmark, J, Oster, L, Aagaard, A, Roth, R, Dahl, G. | | Deposit date: | 2016-12-21 | | Release date: | 2018-01-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and biophysical characterization of the human full-length neurturin-GFRa2 complex: A role for heparan sulfate in signaling.
J. Biol. Chem., 293, 2018
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5NMZ
 | | human Neurturin (97-197) | | Descriptor: | GLYCEROL, Neurturin | | Authors: | Bigalke, J.M, Sandmark, J, Roth, R. | | Deposit date: | 2017-04-07 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and biophysical characterization of the human full-length neurturin-GFRa2 complex: A role for heparan sulfate in signaling.
J. Biol. Chem., 293, 2018
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