5ALI
 
 | | ligand complex structure of soluble epoxide hydrolase | | Descriptor: | 1-[3-[5-(7-aminothiazolo[5,4-d]pyrimidin-2-yl)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]phenyl]-3-(4-methoxyphenyl)urea, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | | Deposit date: | 2015-03-08 | | Release date: | 2015-05-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5AIA
 | | ligand complex structure of soluble epoxide hydrolase | | Descriptor: | 5-cyclohexyl-2-hydroxybenzoate, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | | Deposit date: | 2015-02-12 | | Release date: | 2015-05-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5ALJ
 | | ligand complex structure of soluble epoxide hydrolase | | Descriptor: | 2-(3-fluoro-4-methyl-anilino)-4-methyl-quinolin-5-ol, BIFUNCTIONAL EPOXIDE HYDROLASE 2, GLYCEROL, ... | | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | | Deposit date: | 2015-03-08 | | Release date: | 2015-05-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5AKL
 | | ligand complex structure of soluble epoxide hydrolase | | Descriptor: | BIFUNCTIONAL EPOXIDE HYDROLASE 2, N-(3,3-DIPHENYLPROPYL)PYRROLIDINE-1-CARBOXAMIDE, SULFATE ION | | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | | Deposit date: | 2015-03-03 | | Release date: | 2015-05-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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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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7PAW
 | | MALT1 in complex with compound 1 | | Descriptor: | Mucosa-associated lymphoid tissue lymphoma translocation protein 1, ~{N}1-(3-chloranyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-~{N}4-[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine | | Authors: | Kack, H, Oster, L. | | Deposit date: | 2021-07-30 | | Release date: | 2021-11-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Discovery and optimization of cyclohexane-1,4-diamines as allosteric MALT1 inhibitors.
Eur.J.Med.Chem., 227, 2021
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7PAV
 | | MALT1 in complex with compound 1 | | Descriptor: | Mucosa-associated lymphoid tissue lymphoma translocation protein 1, ~{N}1,~{N}4-bis[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine | | Authors: | Kack, H, Oster, L. | | Deposit date: | 2021-07-30 | | Release date: | 2021-11-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.199 Å) | | Cite: | Discovery and optimization of cyclohexane-1,4-diamines as allosteric MALT1 inhibitors.
Eur.J.Med.Chem., 227, 2021
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5FP0
 | | ligand complex structure of soluble epoxide hydrolase | | Descriptor: | BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, N-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-4-sulfonamide | | Authors: | Xue, Y, Olsson, T, Johansson, C.A, Oster, L, Beisel, H.G, Rohman, M, Karis, D, Backstrom, S. | | Deposit date: | 2015-11-26 | | Release date: | 2016-03-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Fragment Screening of Soluble Epoxide Hydrolase for Lead Generation-Structure-Based Hit Evaluation and Chemistry Exploration.
Chemmedchem, 11, 2016
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7B9L
 | | MEK1 in complex with compound 23 | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1,Dual specificity mitogen-activated protein kinase kinase 1, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Kack, H, Oster, L. | | Deposit date: | 2020-12-14 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Fragment-Based Discovery of Novel Allosteric MEK1 Binders.
Acs Med.Chem.Lett., 12, 2021
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7B94
 | | MEK1 in complex with compound 6 | | Descriptor: | 2-(4-iodophenyl)-8~{H}-imidazo[1,2-c]pyrimidin-5-one, Dual specificity mitogen-activated protein kinase kinase 1,Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | Authors: | Kack, H, Oster, L. | | Deposit date: | 2020-12-14 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Fragment-Based Discovery of Novel Allosteric MEK1 Binders.
Acs Med.Chem.Lett., 12, 2021
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8R4U
 | | Structure of salt-inducible kinase 3 with inhibitors | | Descriptor: | 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, SULFATE ION, Serine/threonine-protein kinase SIK3, ... | | Authors: | Kack, H, Oster, L. | | Deposit date: | 2023-11-14 | | Release date: | 2024-03-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.416 Å) | | Cite: | The structures of salt-inducible kinase 3 in complex with inhibitors reveal determinants for binding and selectivity.
J.Biol.Chem., 300, 2024
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8R4Q
 | | Salt inducible kinase 3 in complex with inhibitor | | Descriptor: | 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, SULFATE ION, Serine/threonine-protein kinase SIK3, ... | | Authors: | Kack, H, Oster, L. | | Deposit date: | 2023-11-14 | | Release date: | 2024-03-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.838 Å) | | Cite: | The structures of salt-inducible kinase 3 in complex with inhibitors reveal determinants for binding and selectivity.
J.Biol.Chem., 300, 2024
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8R4V
 | | Structure of Salt-inducible kinase 3 in complex with inhibitor | | Descriptor: | 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-[6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]urea, Serine/threonine-protein kinase SIK3 | | Authors: | Kack, H, Oster, L. | | Deposit date: | 2023-11-14 | | Release date: | 2024-03-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The structures of salt-inducible kinase 3 in complex with inhibitors reveal determinants for binding and selectivity.
J.Biol.Chem., 300, 2024
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8R4O
 | | Salt inducible kinase 3 in complex with inhibitor | | Descriptor: | 2-[bis(fluoranyl)methoxy]-4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-~{N}-[(1~{R},2~{S})-2-fluoranylcyclopropyl]-6-methoxy-benzamide, SULFATE ION, Serine/threonine-protein kinase SIK3, ... | | Authors: | Kack, H, Oster, L. | | Deposit date: | 2023-11-14 | | Release date: | 2024-03-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.725 Å) | | Cite: | The structures of salt-inducible kinase 3 in complex with inhibitors reveal determinants for binding and selectivity.
J.Biol.Chem., 300, 2024
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2YOP
 | | Long wavelength S-SAD structure of FAM3B PANDER | | Descriptor: | GLYCEROL, PROTEIN FAM3B | | Authors: | Johansson, P, Bernstrom, J, Gorman, T, Oster, L, Backstrom, S, Schweikart, F, Xu, B, Xue, Y, Holmberg Schiavone, L. | | Deposit date: | 2012-10-26 | | Release date: | 2013-01-30 | | Last modified: | 2013-02-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Fam3B Pander and Fam3C Ilei Represent a Distinct Class of Signaling Molecules with a Non-Cytokine-Like Fold.
Structure, 21, 2013
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2YOQ
 | | Structure of FAM3B PANDER E30 construct | | Descriptor: | GLYCEROL, PROTEIN FAM3B | | Authors: | Johansson, P, Bernstrom, J, Gorman, T, Oster, L, Backstrom, S, Schweikart, F, Xu, B, Xue, Y, Holmberg Schiavone, L. | | Deposit date: | 2012-10-26 | | Release date: | 2013-01-30 | | Last modified: | 2013-02-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Fam3B Pander and Fam3C Ilei Represent a Distinct Class of Signaling Molecules with a Non-Cytokine-Like Fold.
Structure, 21, 2013
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3BG8
 | | Crystal structure of Factor XIa in complex with Clavatadine A | | Descriptor: | BENZAMIDINE, Coagulation factor XIa light chain, N-(4-carbamimidamidobutyl)ethanamide, ... | | Authors: | Xue, Y, Oster, L. | | Deposit date: | 2007-11-26 | | Release date: | 2008-12-09 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Clavatadine A, a natural product with selective recognition and irreversible inhibition of factor XIa.
J.Med.Chem., 51, 2008
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7B7R
 | | MEK1 in complex with compound 4 | | Descriptor: | 2-[5-[ethyl(methyl)amino]imidazo[1,2-a]pyrimidin-7-yl]phenol, Dual specificity mitogen-activated protein kinase kinase 1,Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | Authors: | Kack, H, Oster, L. | | Deposit date: | 2020-12-11 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Fragment-Based Discovery of Novel Allosteric MEK1 Binders.
Acs Med.Chem.Lett., 12, 2021
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7B3M
 | | MEK1 in complex with compound 6 | | Descriptor: | 1~{H}-indol-2-yl(pyridin-3-yl)methanone, Dual specificity mitogen-activated protein kinase kinase 1,Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | Authors: | Kack, H, Oster, L. | | Deposit date: | 2020-12-01 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Fragment-Based Discovery of Novel Allosteric MEK1 Binders.
Acs Med.Chem.Lett., 12, 2021
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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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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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