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5MR4
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BU of 5mr4 by Molmil
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
8QA7
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BU of 8qa7 by Molmil
Crystal structure of HDAC6 catalytic domain 2 from zebrafish in complex with buffer component.
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Histone deacetylase 6, POTASSIUM ION, ...
Authors:Sandmark, J, Ek, M.
Deposit date:2023-08-22
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystal structure of HDAC6 catalytic domain 2 from zebrafish in complex with buffer component.
To Be Published
5MR9
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BU of 5mr9 by Molmil
Ligand-receptor complex.
Descriptor: Neurturin
Authors:Sandmark, J, Oster, L, Aagaard, A, Roth, R.G, Dahl, G.
Deposit date:2016-12-21
Release date:2018-01-17
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure and biophysical characterisation of the human complex - a role for heparan sulfate
To Be Published
5MR5
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BU of 5mr5 by Molmil
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
1MLZ
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BU of 1mlz by Molmil
Crystal Structure of 7,8-Diaminopelargonic Acid Synthase in complex with the trans-isomer of amiclenomycin.
Descriptor: 7,8-diamino-pelargonic acid aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
Authors:Sandmark, J, Mann, S, Marquet, A, Schneider, G.
Deposit date:2002-09-02
Release date:2002-12-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis for the inhibition of the biosynthesis of biotin by the antibiotic amiclenomycin
J.Biol.Chem., 277, 2002
1MLY
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BU of 1mly by Molmil
Crystal Structure of 7,8-Diaminopelargonic Acid Synthase in complex with the cis isomer of amiclenomycin
Descriptor: 7,8-diamino-pelargonic acid aminotransferase, CIS-AMICLENOMYCIN, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Sandmark, J, Mann, S, Marquet, A, Schneider, G.
Deposit date:2002-09-02
Release date:2002-12-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural basis for the inhibition of the biosynthesis of biotin by the antibiotic amiclenomycin
J.Biol.Chem., 277, 2002
1S08
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BU of 1s08 by Molmil
Crystal Structure of the D147N Mutant of 7,8-Diaminopelargonic Acid Synthase
Descriptor: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, SODIUM ION
Authors:Sandmark, J, Eliot, A.C, Famm, K, Schneider, G, Kirsch, J.F.
Deposit date:2003-12-30
Release date:2004-03-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conserved and nonconserved residues in the substrate binding site of 7,8-diaminopelargonic acid synthase from Escherichia coli are essential for catalysis.
Biochemistry, 43, 2004
1S0A
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BU of 1s0a by Molmil
Crystal Structure of the Y17F Mutant of 7,8-Diaminopelargonic Acid Synthase
Descriptor: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, SODIUM ION
Authors:Sandmark, J, Eliot, A.C, Famm, K, Schneider, G, Kirsch, J.F.
Deposit date:2003-12-30
Release date:2004-03-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Conserved and nonconserved residues in the substrate binding site of 7,8-diaminopelargonic acid synthase from Escherichia coli are essential for catalysis.
Biochemistry, 43, 2004
1S09
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BU of 1s09 by Molmil
Crystal Structure of the Y144F Mutant of 7,8-Diaminopelargonic Acid Synthase
Descriptor: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, SODIUM ION
Authors:Sandmark, J, Eliot, A.C, Famm, K, Schneider, G, Kirsch, J.F.
Deposit date:2003-12-30
Release date:2004-03-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Conserved and nonconserved residues in the substrate binding site of 7,8-diaminopelargonic acid synthase from Escherichia coli are essential for catalysis.
Biochemistry, 43, 2004
1S06
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BU of 1s06 by Molmil
Crystal Structure of the R253K Mutant of 7,8-Diaminopelargonic Acid Synthase
Descriptor: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, SODIUM ION
Authors:Sandmark, J, Eliot, A.C, Famm, K, Schneider, G, Kirsch, J.F.
Deposit date:2003-12-30
Release date:2004-03-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conserved and nonconserved residues in the substrate binding site of 7,8-diaminopelargonic acid synthase from Escherichia coli are essential for catalysis.
Biochemistry, 43, 2004
1S07
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BU of 1s07 by Molmil
Crystal Structure of the R253A Mutant of 7,8-Diaminopelargonic Acid Synthase
Descriptor: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ISOPROPYL ALCOHOL, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Sandmark, J, Eliot, A.C, Famm, K, Schneider, G, Kirsch, J.F.
Deposit date:2003-12-30
Release date:2004-03-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Conserved and nonconserved residues in the substrate binding site of 7,8-diaminopelargonic acid synthase from Escherichia coli are essential for catalysis.
Biochemistry, 43, 2004
4BV5
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BU of 4bv5 by Molmil
Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
Descriptor: 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide, APOLIPOPROTEIN(A)
Authors:Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W.
Deposit date:2013-06-25
Release date:2014-07-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
4BVD
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BU of 4bvd by Molmil
Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
Descriptor: 5-chloro-2-fluoro-N-[1-(4-piperidyl)pyrazol-4-yl]benzenesulfonamide, APOLIPOPROTEIN(A), CHLORIDE ION
Authors:Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W.
Deposit date:2013-06-25
Release date:2014-07-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
4BV7
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BU of 4bv7 by Molmil
Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
Descriptor: 3-(4-piperidyl)propanoic acid, ACETATE ION, APOLIPOPROTEIN(A)
Authors:Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W.
Deposit date:2013-06-25
Release date:2014-07-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
4BVC
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BU of 4bvc by Molmil
Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
Descriptor: 3-(4-PIPERIDYL)-N-[2-(TRIFLUOROMETHOXY)PHENYL]SULFONYL-PROPANAMIDE, APOLIPOPROTEIN(A), CHLORIDE ION, ...
Authors:Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W.
Deposit date:2013-06-25
Release date:2014-07-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
4BVW
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BU of 4bvw by Molmil
Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
Descriptor: 1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid, 1,2-ETHANEDIOL, APOLIPOPROTEIN(A), ...
Authors:Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W.
Deposit date:2013-06-28
Release date:2014-07-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
4BVV
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BU of 4bvv by Molmil
Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
Descriptor: 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, APOLIPOPROTEIN(A), SULFATE ION
Authors:Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W.
Deposit date:2013-06-28
Release date:2014-07-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
4UY1
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BU of 4uy1 by Molmil
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
8CJ7
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BU of 8cj7 by Molmil
HDAC6 selective degraded (difluoromethyl)-1,3,4-oxadiazole substrate inhibitor
Descriptor: 6-[(5-pyridin-2-yl-1,2$l^{4},3,4-tetrazacyclopenta-1,3-dien-2-yl)methyl]pyridine-3-carbohydrazide, Histone deacetylase 6, IODIDE ION, ...
Authors:Sandmark, J, Ek, M, Ripa, L.
Deposit date:2023-02-12
Release date:2023-10-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Selective and Bioavailable HDAC6 2-(Difluoromethyl)-1,3,4-oxadiazole Substrate Inhibitors and Modeling of Their Bioactivation Mechanism.
J.Med.Chem., 66, 2023
4D7F
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BU of 4d7f by Molmil
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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BU of 4d7g by Molmil
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
4CRF
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BU of 4crf by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
Descriptor: CHLORIDE ION, Coagulation factor XIa light chain, GLYCEROL, ...
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
Last modified:2022-05-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
6G5J
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BU of 6g5j by Molmil
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
5G3N
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BU of 5g3n by Molmil
Discovery of a novel secreted phospholipase A2 (sPLA2) inhibitor.
Descriptor: 3-(5'-BENZYL-2'-CARBAMOYLBIPHENYL-3-YL)PROPANOIC ACID, CALCIUM ION, FORMIC ACID, ...
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
5G3M
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BU of 5g3m by Molmil
Discovery of a novel secreted phospholipase A2 (sPLA2) inhibitor.
Descriptor: 4-BENZYLBENZAMIDE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
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

 

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