Author results

4CRG
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CREATING NOVEL F1 INHIBITORS THROUGH FRAGMENT BASED LEAD GENERATION AND STRUCTURE AIDED DRUG DESIGN
Descriptor:COAGULATION FACTOR XI, GLYCEROL, 6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide, ...
Authors:Sandmark, J., Oster, L., Fjellstrom, O., Akkaya, S., Beisel, H.G., Eriksson, P.O., Erixon, K., Gustafsson, D., Jurva, U., Kang, D., Karis, D., Knecht, W., Nerme, V., Nilsson, I., Olsson, T., Redzic, A., Roth, R., Tigerstrom, A.
Deposit date:2014-02-26
Release date:2015-02-11
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4D76
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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
4D7F
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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
4D7G
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HUMAN FXIA IN COMPLEX WITH SMALL MOLECULE INHIBITORS.
Descriptor:COAGULATION FACTOR XIA, GLYCEROL, N-[(1S)-1-benzyl-2-(3-guanidinopropylamino)-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-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 (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
4UY1
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NOVEL PYRAZOLE SERIES OF GROUP X SECRETORY PHOSPHOLIPASE A2 (SPLA2-X) INHIBITORS
Descriptor:GROUP 10 SECRETORY PHOSPHOLIPASE A2, CALCIUM ION, PENTAETHYLENE GLYCOL, ...
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
5G3M
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DISCOVERY OF A NOVEL SECRETED PHOSPHOLIPASE A2 (SPLA2) INHIBITOR.
Descriptor:GROUP 10 SECRETORY PHOSPHOLIPASE A2, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Sandmark, J., Bodin, C., Hallberg, K.
Deposit date:2016-04-29
Release date:2016-09-14
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of Azd2716: A Novel Secreted Phospholipase A2 (Spla2) Inhibitor for the Treatment of Coronary Artery Disease
Acs Med.Chem.Lett., 7, 2016
5G3N
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DISCOVERY OF A NOVEL SECRETED PHOSPHOLIPASE A2 (SPLA2) INHIBITOR.
Descriptor:PHOSPHOLIPASE A2, MEMBRANE ASSOCIATED, CALCIUM ION, ...
Authors:Sandmark, J., Bodin, C., Hallberg, K.
Deposit date:2016-04-29
Release date:2016-09-14
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Azd2716: A Novel Secreted Phospholipase A2 (Spla2) Inhibitor for the Treatment of Coronary Artery Disease
Acs Med.Chem.Lett., 7, 2016
5NMZ
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HUMAN NEURTURIN (97-197)
Descriptor:Neurturin, GLYCEROL
Authors:Bigalke, J.M., Sandmark, J., Roth, R.
Deposit date:2017-04-07
Release date:2018-02-14
Last modified:2018-04-25
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
1BS1
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DETHIOBIOTIN SYNTHETASE COMPLEXED WITH DETHIOBIOTIN, ADP , INORGANIC PHOSPHATE AND MAGNESIUM
Descriptor:PROTEIN (DETHIOBIOTIN SYNTHETASE), MAGNESIUM ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Kaeck, H., Sandmark, J., Gibson, K.J., Schneider, G., Lindqvist, Y.
Deposit date:1998-08-31
Release date:1999-01-13
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of two quaternary complexes of dethiobiotin synthetase, enzyme-MgADP-AlF3-diaminopelargonic acid and enzyme-MgADP-dethiobiotin-phosphate; implications for catalysis.
Protein Sci., 7, 1998
1DAM
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DETHIOBIOTIN SYNTHETASE COMPLEXED WITH DETHIOBIOTIN, ADP, INORGANIC PHOSPHATE AND MAGNESIUM
Descriptor:PROTEIN (DETHIOBIOTIN SYNTHETASE), MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Kaeck, H., Sandmark, J., Gibson, K.J., Schneider, G., Lindqvist, Y.
Deposit date:1998-08-31
Release date:1999-01-13
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of two quaternary complexes of dethiobiotin synthetase, enzyme-MgADP-AlF3-diaminopelargonic acid and enzyme-MgADP-dethiobiotin-phosphate; implications for catalysis.
Protein Sci., 7, 1998
1MGV
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CRYSTAL STRUCTURE OF THE R391A MUTANT OF 7,8-DIAMINOPELARGONIC ACID SYNTHASE
Descriptor:7,8-diamino-pelargonic acid aminotransferase, SODIUM ION, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Eliot, A.C., Sandmark, J., Schneider, G., Kirsch, J.F.
Deposit date:2002-08-16
Release date:2002-11-27
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Dual-Specific Active Site of 7,8-Diaminopelargonic Acid Synthase and the Effect of the R391A Mutation
Biochemistry, 41, 2002
1QJ3
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CRYSTAL STRUCTURE OF 7,8-DIAMINOPELARGONIC ACID SYNTHASE IN COMPLEX WITH 7-KETO-8-AMINOPELARGONIC ACID
Descriptor:7,8-DIAMINOPELARGONIC ACID SYNTHASE, PYRIDOXAL-5'-PHOSPHATE, 7-KETO-8-AMINOPELARGONIC ACID, ...
Authors:Kaeck, H., Sandmark, J., Gibson, K.J., Lindqvist, Y., Schneider, G.
Deposit date:1999-06-21
Release date:2000-06-22
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Diaminopelargonic Acid Synthase; Evolutionary Relationships between Pyridoxal-5'-Phosphate Dependent Enzymes
J.Mol.Biol., 291, 1999
1QJ5
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CRYSTAL STRUCTURE OF 7,8-DIAMINOPELARGONIC ACID SYNTHASE
Descriptor:7,8-DIAMINOPELARGONIC ACID SYNTHASE, POTASSIUM ION, PYRIDOXAL-5'-PHOSPHATE
Authors:Kack, H., Sandmark, J., Gibson, K.J., Lindqvist, Y., Schneider, G.
Deposit date:1999-06-21
Release date:2000-06-22
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Diaminopelargonic Acid Synthase; Evolutionary Relationships between Pyridoxal-5'-Phosphate Dependent Enzymes
J.Mol.Biol., 291, 1999
5OW8
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INDOLE-2 CARBOXAMIDES AS SELECTIVE SECRETED PHOSPHOLIPASE A2 TYPE X (SPLA2-X) INHIBITORS
Descriptor:Group 10 secretory phospholipase A2, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Sandmark, J.S., Roth, R.G., Knerr, L., Bodin, C., Pettersen, D.
Deposit date:2017-08-31
Release date:2018-08-01
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
5OWC
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INDOLE-2 CARBOXAMIDES AS SELECTIVE SECRETED PHOSPHOLIPASE A2 TYPE X (SPLA2-X) INHIBITORS
Descriptor:Group 10 secretory phospholipase A2, CALCIUM ION, 3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]propanoic acid, ...
Authors:Sandmark, J.S., Roth, R.G., Knerr, L., Bodin, C., Pettersen, D.
Deposit date:2017-08-31
Release date:2018-08-01
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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