Author results

4CDC
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HUMAN DPP1 IN COMPLEX WITH (2S)-2-AMINO-N-((1S)-1-CYANO-2-(4- PHENYLPHENYL)ETHYL)BUTANAMIDE
Descriptor:DIPEPTIDYL PEPTIDASE 1 EXCLUSION DOMAIN CHAIN, DIPEPTIDYL PEPTIDASE 1 HEAVY CHAIN, DIPEPTIDYL PEPTIDASE 1 LIGHT CHAIN, ...
Authors:Debreczeni, J., Edman, K., Furber, M., Tiden, A., Gardiner, P., Mete, T., Ford, R., Millichip, I., Stein, L., Mather, A., Kinchin, E., Luckhurst, C., Cage, P., Sanghanee, H., Breed, J., Wissler, L.
Deposit date:2013-10-31
Release date:2014-03-19
Last modified:2014-04-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57, 2014
4CDD
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HUMAN DPP1 IN COMPLEX WITH (2S)-N-((1S)-1-CYANO-2-(4-(4-CYANOPHENYL) PHENYL)ETHYL)PIPERIDINE-2-CARBOXAMIDE
Descriptor:DIPEPTIDYL PEPTIDASE 1 EXCLUSION DOMAIN CHAIN, DIPEPTIDYL PEPTIDASE 1 HEAVY CHAIN, DIPEPTIDYL PEPTIDASE 1 LIGHT CHAIN, ...
Authors:Debreczeni, J., Edman, K., Furber, M., Tiden, A., Gardiner, P., Mete, T., Ford, R., Millichip, I., Stein, L., Mather, A., Kinchin, E., Luckhurst, C., Cage, P., Sanghanee, H., Breed, J., Wissler, L.
Deposit date:2013-10-31
Release date:2014-03-19
Last modified:2014-04-09
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57, 2014
4CDE
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HUMAN DPP1 IN COMPLEX WITH 4-AMINO-N-((1S)-1-CYANO-2-(4-(4- CYANOPHENYL)PHENYL)ETHYL)TETRAHYDROPYRAN-4-CARBOXAMIDE
Descriptor:DIPEPTIDYL PEPTIDASE 1 EXCLUSION DOMAIN CHAIN, DIPEPTIDYL PEPTIDASE 1 HEAVY CHAIN, DIPEPTIDYL PEPTIDASE 1 LIGHT CHAIN, ...
Authors:Debreczeni, J., Edman, K., Furber, M., Tiden, A., Gardiner, P., Mete, T., Ford, R., Millichip, I., Stein, L., Mather, A., Kinchin, E., Luckhurst, C., Cage, P., Sanghanee, H., Breed, J., Wissler, L.
Deposit date:2013-10-31
Release date:2014-03-19
Last modified:2017-03-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57, 2014
4CDF
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HUMAN DPP1 IN COMPLEX WITH (2S,4S)-N-((1S)-1-CYANO-2-(4-(4- CYANOPHENYL)PHENYL)ETHYL)-4-HYDROXY-PIPERIDINE-2-CARBOXAMIDE
Descriptor:DIPEPTIDYL PEPTIDASE 1 EXCLUSION DOMAIN CHAIN, DIPEPTIDYL PEPTIDASE 1 HEAVY CHAIN, DIPEPTIDYL PEPTIDASE 1 LIGHT CHAIN, ...
Authors:Debreczeni, J., Edman, K., Furber, M., Tiden, A., Gardiner, P., Mete, T., Ford, R., Millichip, I., Stein, L., Mather, A., Kinchin, E., Luckhurst, C., Cage, P., Sanghanee, H., Breed, J., Wissler, L.
Deposit date:2013-10-31
Release date:2014-03-19
Last modified:2014-04-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57, 2014
4CSJ
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THE DISCOVERY OF POTENT SELECTIVE GLUCOCORTICOID RECEPTOR MODULATORS, SUITABLE FOR INHALATION
Descriptor:GLUCOCORTICOID RECEPTOR, NUCLEAR RECEPTOR COACTIVATOR 2, 1,2-ETHANEDIOL, ...
Authors:Edman, K., Ahlgren, R., Bengtsson, M., Bladh, H., Backstrom, S., Dahmen, J., Henriksson, K., Hillertz, P., Hulikal, V., Jerre, A., Kinchin, L., Kase, C., Lepisto, M., Mile, I., Nilsson, S., Smailagic, A., Taylor, J., Tjornebo, A., Wissler, L., Hansson, T.
Deposit date:2014-03-07
Release date:2014-05-07
Last modified:2014-05-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Discovery of Potent and Selective Non-Steroidal Glucocorticoid Receptor Modulators, Suitable for Inhalation.
Bioorg.Med.Chem.Lett., 24, 2014
5ANS
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POTENT AND SELECTIVE INHIBITORS OF MTH1 PROBE ITS ROLE IN CANCER CELL SURVIVAL
Descriptor:7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
Authors:Kettle, J.G., Alwan, H., Bista, M., Breed, J., Kack, H., Eckersley, K., Foote, K.M., Fillery, S., Goodwin, L., Jones, D., Lau, A., Nissink, J.W.M., Read, J., Scott, J., Taylor, B., Walker, G., Wissler, L.
Deposit date:2015-09-08
Release date:2016-03-02
Last modified:2016-04-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
5ANT
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POTENT AND SELECTIVE INHIBITORS OF MTH1 PROBE ITS ROLE IN CANCER CELL SURVIVAL
Descriptor:7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7H-purin-8-one
Authors:Kettle, J.G., Alwan, H., Bista, M., Breed, J., Kack, H., Eckersley, K., Foote, K.M., Fillery, S., Goodwin, L., Jones, D., Lau, A., Nissink, J.W.M., Read, J., Scott, J., Taylor, B., Walker, G., Wissler, L.
Deposit date:2015-09-08
Release date:2016-03-02
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
6EL6
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GLUCOCORTICOID RECEPTOR IN COMPLEX WITH COMPOUND 4
Descriptor:Glucocorticoid receptor, Nuclear receptor coactivator 2, 1,2-ETHANEDIOL, ...
Authors:Edman, K., Wissler, L.
Deposit date:2017-09-28
Release date:2018-02-21
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile.
J. Med. Chem., 61, 2018
6EL7
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GLUCOCORTICOID RECEPTOR IN COMPLEX WITH COMPOUND 31
Descriptor:Glucocorticoid receptor, Nuclear receptor coactivator 2, 1,2-ETHANEDIOL, ...
Authors:Edman, K., Wissler, L.
Deposit date:2017-09-28
Release date:2018-02-21
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile.
J. Med. Chem., 61, 2018
6EL9
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GLUCOCORTICOID RECEPTOR IN COMPLEX WITH AZD9567
Descriptor:Glucocorticoid receptor, Nuclear receptor coactivator 2, 1,2-ETHANEDIOL, ...
Authors:Edman, K., Wissler, L.
Deposit date:2017-09-28
Release date:2018-02-21
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile.
J. Med. Chem., 61, 2018
2Y6C
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THE DISCOVERY OF MMP7 INHIBITORS EXPLOITING A NOVEL SELECTIVITY TRIGGER
Descriptor:MATRILYSIN, CALCIUM ION, ZINC ION, ...
Authors:Edman, K., Furber, M., Hemsley, P., Johansson, C., Pairaudeau, G., Petersen, J., Stocks, M., Tervo, A., Ward, A., Wells, E., Wissler, L.
Deposit date:2011-01-20
Release date:2011-05-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Discovery of Mmp7 Inhibitors Exploiting a Novel Selectivity Trigger.
Chemmedchem, 6, 2011
2Y6D
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THE DISCOVERY OF MMP7 INHIBITORS EXPLOITING A NOVEL SELECTIVITY TRIGGER
Descriptor:MATRILYSIN, CALCIUM ION, ZINC ION, ...
Authors:Edman, K., Furber, M., Hemsley, P., Johansson, C., Pairaudeau, G., Petersen, J., Stocks, M., Tervo, A., Ward, A., Wells, E., Wissler, L.
Deposit date:2011-01-20
Release date:2011-05-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Discovery of Mmp7 Inhibitors Exploiting a Novel Selectivity Trigger.
Chemmedchem, 6, 2011
4BTJ
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TTBK1 IN COMPLEX WITH ATP
Descriptor:TAU-TUBULIN KINASE 1, ADENOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, ...
Authors:Xue, Y., Wan, P., Hillertz, P., Schweikart, F., Zhao, Y., Wissler, L., Dekker, N.
Deposit date:2013-06-18
Release date:2013-09-25
Last modified:2017-03-29
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:X-Ray Structural Analysis of Tau-Tubulin Kinase 1 and its Interactions with Small Molecular Inhibitors.
Chemmedchem, 8, 2013
4BTK
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TTBK1 IN COMPLEX WITH INHIBITOR
Descriptor:TAU-TUBULIN KINASE 1, DIMETHYL SULFOXIDE, 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE
Authors:Xue, Y., Wan, P., Hillertz, P., Schweikart, F., Zhao, Y., Wissler, L., Dekker, N.
Deposit date:2013-06-18
Release date:2013-09-25
Last modified:2017-03-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-Ray Structural Analysis of Tau-Tubulin Kinase 1 and its Interactions with Small Molecular Inhibitors.
Chemmedchem, 8, 2013
4BTM
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TTBK1 IN COMPLEX WITH INHIBITOR
Descriptor:TAU-TUBULIN KINASE 1, SULFATE ION, methyl 2-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoate, ...
Authors:Xue, Y., Wan, P., Hillertz, P., Schweikart, F., Zhao, Y., Wissler, L., Dekker, N.
Deposit date:2013-06-18
Release date:2013-09-25
Last modified:2017-03-29
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:X-Ray Structural Analysis of Tau-Tubulin Kinase 1 and its Interactions with Small Molecular Inhibitors.
Chemmedchem, 8, 2013
4QE6
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FXR WITH CDCA AND NCOA-2 PEPTIDE
Descriptor:Bile acid receptor, Nuclear receptor coactivator 2, CHENODEOXYCHOLIC ACID, ...
Authors:Kudlinzki, D., Merk, D., Linhard, V.L., Saxena, K., Sreeramulu, S., Nilsson, E., Dekker, N., Wissler, L., Bamberg, K., Schubert-Zsilavecz, M., Schwalbe, H.
Deposit date:2014-05-15
Release date:2015-08-12
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.648 Å)
Cite:FXR with CDCA and NCoA-2 peptide
To be Published
4QE8
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FXR WITH DM175 AND NCOA-2 PEPTIDE
Descriptor:Bile acid receptor, Nuclear receptor coactivator 2, 4-({2-[(4-tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid, ...
Authors:Kudlinzki, D., Merk, D., Linhard, V.L., Saxena, K., Sreeramulu, S., Nilsson, E., Dekker, N., Wissler, L., Bamberg, K., Schubert-Zsilavecz, M., Schwalbe, H.
Deposit date:2014-05-15
Release date:2015-08-12
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:FXR with DM175 and NCoA-2 peptide
To be Published
4UDA
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MR IN COMPLEX WITH DEXAMETHASONE
Descriptor:MINERALOCORTICOID RECEPTOR, NUCLEAR RECEPTOR COACTIVATOR 1, GLYCEROL, ...
Authors:Edman, K., Hogner, A., Hussein, A., Bjursell, M., Aagaard, A., Backstrom, S., Bodin, C., Wissler, L., Jellesmark-Jensen, T., Cavallin, A., Karlsson, U., Nilsson, E., Lecina, D., Takahashi, R., Grebner, C., Lepisto, M., Guallar, V.
Deposit date:2014-12-09
Release date:2015-11-25
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
4UDB
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MR IN COMPLEX WITH DESISOBUTYRYLCICLESONIDE
Descriptor:MINERALOCORTICOID RECEPTOR, NUCLEAR RECEPTOR COACTIVATOR 1, DIMETHYL SULFOXIDE, ...
Authors:Edman, K., Hogner, A., Hussein, A., Aagaard, A., Backstrom, S., Bodin, C., Wissler, L., JellesmarkJensen, T., Cavallin, A., Nilsson, E., Lepisto, M., Guallar, V.
Deposit date:2014-12-09
Release date:2015-11-25
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
4UDC
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GR IN COMPLEX WITH DEXAMETHASONE
Descriptor:GLUCOCORTICOID RECEPTOR, NUCLEAR RECEPTOR COACTIVATOR 2, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ...
Authors:Edman, K., Hogner, A., Hussein, A., Bjursell, M., Aagaard, A., Backstrom, S., Bodin, C., Wissler, L., Jellesmark-Jensen, T., Cavallin, A., Karlsson, U., Nilsson, E., Lecina, D., Takahashi, R., Grebner, C., Lepisto, M., Guallar, V.
Deposit date:2014-12-09
Release date:2015-11-25
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
4UDD
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GR IN COMPLEX WITH DESISOBUTYRYLCICLESONIDE
Descriptor:GLUCOCORTICOID RECEPTOR, NUCLEAR RECEPTOR COACTIVATOR 2, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ...
Authors:Edman, K., Hogner, A., Hussein, A., Bjursell, M., Aagaard, A., Backstrom, S., Bodin, C., Wissler, L., Jellesmark-Jensen, T., Cavallin, A., Karlsson, U., Nilsson, E., Lecina, D., Takahashi, R., Grebner, C., Lepisto, M., Guallar, V.
Deposit date:2014-12-09
Release date:2015-11-25
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
5AIS
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COMPLEX OF HUMAN HEMATOPOIETIC PROSTAGANDIN D2 SYNTHASE (HH-PGDS) IN COMPLEX WITH AN ACTIVE SITE INHIBITOR.
Descriptor:HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, 4-(dimethylamino)-N-[5-(1H-indol-4-yl)pyridin-3-yl]butanamide, GLUTATHIONE, ...
Authors:Edfeldt, F., Evenas, J., Lepisto, M., Ward, A., Petersen, J., Wissler, L., Rohman, M., Sivars, U., Svensson, K., Perry, M., Feierberg, I., Zhou, X., Hansson, T., Narjes, F.
Deposit date:2015-02-17
Release date:2015-06-03
Last modified:2015-06-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of Indole Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase (Hh-Pgds).
Bioorg.Med.Chem.Lett., 25, 2015
5AIV
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COMPLEX OF HUMAN HEMATOPOIETIC PROSTAGANDIN D2 SYNTHASE (HH-PGDS) IN COMPLEX WITH AN ACTIVE SITE INHIBITOR.
Descriptor:HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, 3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide, GLUTATHIONE, ...
Authors:Edfeldt, F., Evenas, J., Lepisto, M., Ward, A., Petersen, J., Wissler, L., Rohman, M., Sivars, U., Svensson, K., Perry, M., Feierberg, I., Zhou, X., Hansson, T., Narjes, F.
Deposit date:2015-02-17
Release date:2015-06-03
Last modified:2015-06-10
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Identification of Indole Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase (Hh-Pgds).
Bioorg.Med.Chem.Lett., 25, 2015
5AIX
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COMPLEX OF HUMAN HEMATOPOIETIC PROSTAGANDIN D2 SYNTHASE (HH-PGDS) IN COMPLEX WITH AN ACTIVE SITE INHIBITOR.
Descriptor:HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, MAGNESIUM ION, GLUTATHIONE, ...
Authors:Edfeldt, F., Evenas, J., Lepisto, M., Ward, A., Petersen, J., Wissler, L., Rohman, M., Sivars, U., Svensson, K., Perry, M., Feierberg, I., Zhou, X., Hansson, T., Narjes, F.
Deposit date:2015-02-18
Release date:2015-06-03
Last modified:2015-06-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of Indole Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase (Hh-Pgds).
Bioorg.Med.Chem.Lett., 25, 2015
5G3J
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DISCOVERY OF NEW SELECTIVE GLUCOCORTICOID RECEPTOR AGONIST LEADS
Descriptor:GLUCOCORTICOID RECEPTOR, NUCLEAR RECEPTOR COACTIVATOR 2, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ...
Authors:Berger, M., Edman, K., Wissler, L., Neuhaus, R., Rehwinkel, H., Schacke, H., Jaroch, S.
Deposit date:2016-04-27
Release date:2017-02-15
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of New Selective Glucocorticoid Receptor Agonist Leads.
Bioorg.Med.Chem.Lett., 27, 2017
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