Author results

1H59
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COMPLEX OF IGFBP-5 WITH IGF-I
Descriptor:INSULIN-LIKE GROWTH FACTOR IA, INSULIN-LIKE GROWTH FACTOR BINDING PROTEIN 5
Authors:Zeslawski, W., Beisel, H.G., Kamionka, M., Kalus, W., Engh, R.A., Huber, R., Holak, T.A.
Deposit date:2001-05-21
Release date:2002-05-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Interaction of Insulin-Like Growth Factor-I with the N-Terminal Domain of Igfbp-5
Embo J., 20, 2001
1TL2
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TACHYLECTIN-2 FROM TACHYPLEUS TRIDENTATUS (JAPANESE HORSESHOE CRAB)
Descriptor:PROTEIN (TACHYLECTIN-2), 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE
Authors:Beisel, H.-G., Kawabata, S., Iwanaga, S., Huber, R., Bode, W.
Deposit date:1998-12-14
Release date:1999-12-15
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Tachylectin-2: crystal structure of a specific GlcNAc/GalNAc-binding lectin involved in the innate immunity host defense of the Japanese horseshoe crab Tachypleus tridentatus.
EMBO J., 18, 1999
1CFZ
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HYDROGENASE MATURATING ENDOPEPTIDASE HYBD FROM E. COLI
Descriptor:HYDROGENASE 2 MATURATION PROTEASE, CADMIUM ION
Authors:Fritsche, E., Paschos, A., Beisel, H.-G., Boeck, A., Huber, R.
Deposit date:1999-03-23
Release date:2000-03-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the hydrogenase maturating endopeptidase HYBD from Escherichia coli.
J.Mol.Biol., 288, 1999
1CVR
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CRYSTAL STRUCTURE OF THE ARG SPECIFIC CYSTEINE PROTEINASE GINGIPAIN R (RGPB)
Descriptor:GINGIPAIN R, D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-phenylalaninamide, CALCIUM ION, ...
Authors:Eichinger, A., Beisel, H.-G.
Deposit date:1999-08-24
Release date:2000-03-01
Last modified:2013-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of gingipain R: an Arg-specific bacterial cysteine proteinase with a caspase-like fold.
EMBO J., 18, 1999
1JC9
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TACHYLECTIN 5A FROM TACHYPLEUS TRIDENTATUS (JAPANESE HORSESHOE CRAB)
Descriptor:techylectin-5A, N-ACETYL-D-GLUCOSAMINE, CALCIUM ION
Authors:Kairies, N., Beisel, H.-G., Fuentes-Prior, P., Tsuda, R., Muta, T., Iwanaga, S., Bode, W., Huber, R., Kawabata, S.
Deposit date:2001-06-08
Release date:2001-11-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The 2.0-A crystal structure of tachylectin 5A provides evidence for the common origin of the innate immunity and the blood coagulation systems.
Proc.Natl.Acad.Sci.USA, 98, 2001
4CR5
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CREATING NOVEL F1 INHIBITORS THROUGH FRAGMENT BASED LEAD GENERATION AND STRUCTURE AIDED DRUG DESIGN
Descriptor:COAGULATION FACTOR XIA, 6-chloroquinolin-2(1H)-one, SULFATE ION
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:2014-02-25
Release date:2015-02-11
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CR9
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CREATING NOVEL F1 INHIBITORS THROUGH FRAGMENT BASED LEAD GENERATION AND STRUCTURE AIDED DRUG DESIGN
Descriptor:COAGULATION FACTOR XI, 4-methylquinoline-2,6-diamine, SULFATE ION
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:2018-04-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRA
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CREATING NOVEL F1 INHIBITORS THROUGH FRAGMENT BASED LEAD GENERATION AND STRUCTURE AIDED DRUG DESIGN
Descriptor:COAGULATION FACTOR XI, GLYCEROL, N-[(1S)-2-[(2-amino-5-quinolyl)methylamino]-1-benzyl-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-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
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRB
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CREATING NOVEL F1 INHIBITORS THROUGH FRAGMENT BASED LEAD GENERATION AND STRUCTURE AIDED DRUG DESIGN
Descriptor:COAGULATION FACTOR XI, GLYCEROL, N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-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 (1.85 Å)
Cite:Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRC
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CREATING NOVEL F1 INHIBITORS THROUGH FRAGMENT BASED LEAD GENERATION AND STRUCTURE AIDED DRUG DESIGN
Descriptor:COAGULATION FACTOR XI, (2S)-2-[[(E)-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenyl-N-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]propanamide, SULFATE ION
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:2015-08-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRD
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CREATING NOVEL F1 INHIBITORS THROUGH FRAGMENT BASED LEAD GENERATION AND STRUCTURE AIDED DRUG DESIGN
Descriptor:COAGULATION FACTOR XI, Methyl N-[4-[5-chloro-2-[[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]methyl]-1H-imidazol-4-yl]phenyl]carbamate, SULFATE ION
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 (2.1 Å)
Cite:Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRE
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CREATING NOVEL F1 INHIBITORS THROUGH FRAGMENT BASED LEAD GENERATION AND STRUCTURE AIDED DRUG DESIGN
Descriptor:COAGULATION FACTOR XI, 6-chloro-4-methyl-1H-quinolin-2-one, SULFATE ION
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:2018-04-04
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRF
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CREATING NOVEL F1 INHIBITORS THROUGH FRAGMENT BASED LEAD GENERATION AND STRUCTURE AIDED DRUG DESIGN
Descriptor:COAGULATION FACTOR XI, ALANINE, 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:2019-03-06
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
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
5FP0
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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:2016-03-16
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
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
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
6G5J
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SECRETED PHOSPHOLIPASE A2 TYPE X IN COMPLEX WITH LIGAND
Descriptor:Group 10 secretory phospholipase A2, CALCIUM ION, (3~{R})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic acid, ...
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