Author results

6GGG
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MINERALOCORTICOID RECEPTOR IN COMPLEX WITH (S)-13
Descriptor:Mineralocorticoid receptor, NCOA1 peptide, CHLORIDE ION, ...
Authors:Edman, K., Aagaard, A., Tangefjord, S.
Deposit date:2018-05-03
Release date:2019-01-09
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection.
J. Med. Chem., 2019
6GG8
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MINERALOCORTICOID RECEPTOR IN COMPLEX WITH (S)-13
Descriptor:Mineralocorticoid receptor, Nuclear receptor coactivator 1, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Edman, K., Aagaard, A., Tangefjord, S.
Deposit date:2018-05-03
Release date:2019-01-09
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection.
J. Med. Chem., 2019
6GEV
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MINERALOCORTICOID RECEPTOR IN COMPLEX WITH (S)-13
Descriptor:Mineralocorticoid receptor, Nuclear receptor coactivator 1, GLYCEROL, ...
Authors:Edman, K., Aagaard, A., Tangefjord, S.
Deposit date:2018-04-27
Release date:2019-01-09
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection.
J. Med. Chem., 2019
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
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
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
5NJ6
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CRYSTAL STRUCTURE OF A THERMOSTABILISED HUMAN PROTEASE-ACTIVATED RECEPTOR-2 (PAR2) IN TERNARY COMPLEX WITH FAB3949 AND AZ7188 AT 4.0 ANGSTROM RESOLUTION
Descriptor:Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2, Fab3949 H, Fab3949 L
Authors:Cheng, R.K.Y., Fiez-Vandal, C., Schlenker, O., Edman, K., Aggeler, B., Brown, D.G., Brown, G., Cooke, R.M., Dumelin, C.E., Dore, A.S., Geschwindner, S., Grebner, C., Hermansson, N.-O., Jazayeri, A., Johansson, P., Leong, L., Prihandoko, R., Rappas, M., Soutter, H., Snijder, A., Sundstrom, L., Tehan, B., Thornton, P., Troast, D., Wiggin, G., Zhukov, A., Marshall, F.H., Dekker, N.
Deposit date:2017-03-28
Release date:2017-05-03
Last modified:2017-05-17
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
5NFT
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GLUCOCORTICOID RECEPTOR IN COMPLEX WITH AZD5423
Descriptor:Glucocorticoid receptor, Nuclear receptor coactivator 2, 1,2-ETHANEDIOL, ...
Authors:Edman, K., Wissler, L.
Deposit date:2017-03-15
Release date:2017-10-04
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Selective Nonsteroidal Glucocorticoid Receptor Modulators for the Inhaled Treatment of Pulmonary Diseases.
J. Med. Chem., 60, 2017
5NFP
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GLUCOCORTICOID RECEPTOR IN COMPLEX WITH BUDESONIDE
Descriptor:Glucocorticoid receptor, Nuclear receptor coactivator 2, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ...
Authors:Edman, K., Wissler, L.
Deposit date:2017-03-15
Release date:2017-10-04
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Selective Nonsteroidal Glucocorticoid Receptor Modulators for the Inhaled Treatment of Pulmonary Diseases.
J. Med. Chem., 60, 2017
5NDZ
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CRYSTAL STRUCTURE OF A THERMOSTABILISED HUMAN PROTEASE-ACTIVATED RECEPTOR-2 (PAR2) IN COMPLEX WITH AZ3451 AT 3.6 ANGSTROM RESOLUTION
Descriptor:Lysozyme,Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2, 2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{N}-(4-cyanophenyl)-1-[(1~{S})-1-cyclohexylethyl]benzimidazole-5-carboxamide, SODIUM ION
Authors:Cheng, R.K.Y., Fiez-Vandal, C., Schlenker, O., Edman, K., Aggeler, B., Brown, D.G., Brown, G., Cooke, R.M., Dumelin, C.E., Dore, A.S., Geschwindner, S., Grebner, C., Hermansson, N.-O., Jazayeri, A., Johansson, P., Leong, L., Prihandoko, R., Rappas, M., Soutter, H., Snijder, A., Sundstrom, L., Tehan, B., Thornton, P., Troast, D., Wiggin, G., Zhukov, A., Marshall, F.H., Dekker, N.
Deposit date:2017-03-09
Release date:2017-05-03
Last modified:2017-05-17
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
5NDD
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CRYSTAL STRUCTURE OF A THERMOSTABILISED HUMAN PROTEASE-ACTIVATED RECEPTOR-2 (PAR2) IN COMPLEX WITH AZ8838 AT 2.8 ANGSTROM RESOLUTION
Descriptor:Lysozyme,Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2, (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol, SODIUM ION, ...
Authors:Cheng, R.K.Y., Fiez-Vandal, C., Schlenker, O., Edman, K., Aggeler, B., Brown, D.G., Brown, G., Cooke, R.M., Dumelin, C.E., Dore, A.S., Geschwindner, S., Grebner, C., Hermansson, N.-O., Jazayeri, A., Johansson, P., Leong, L., Prihandoko, R., Rappas, M., Soutter, H., Snijder, A., Sundstrom, L., Tehan, B., Thornton, P., Troast, D., Wiggin, G., Zhukov, A., Marshall, F.H., Dekker, N.
Deposit date:2017-03-08
Release date:2017-05-03
Last modified:2017-05-17
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
5MWY
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THE STRUCTURE OF MR IN COMPLEX WITH EPLERENONE.
Descriptor:Mineralocorticoid receptor, NCOA1, eplerenone
Authors:Edman, K., Aagaard, A., Backstrom, S.
Deposit date:2017-01-20
Release date:2018-03-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Preclinical pharmacology of AZD9977: A novel mineralocorticoid receptor modulator separating organ protection from effects on electrolyte excretion.
PLoS ONE, 13, 2018
5MWP
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THE STRUCTURE OF MR IN COMPLEX WITH AZD9977.
Descriptor:Mineralocorticoid receptor, NCOA1 peptide, 2-[(3~{S})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide
Authors:Edman, K., Aagaard, A., Backstrom, S.
Deposit date:2017-01-19
Release date:2018-03-07
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Preclinical pharmacology of AZD9977: A novel mineralocorticoid receptor modulator separating organ protection from effects on electrolyte excretion.
PLoS ONE, 13, 2018
5L7H
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MCR IN COMPLEX WITH LIGAND
Descriptor:Mineralocorticoid receptor, NCOA1 peptide, 3-methyl-5,8-dioxa-17lambda-thia-4,18-diazatetracyclo[18.2.2.1,.0]pentacosa-1(22),2(6),3,9,11,13(25),20,23-octaene-17,17-dione, ...
Authors:Xue, Y., Aagaard, A., Backstrom, S., Edman, K.
Deposit date:2016-06-03
Release date:2016-12-07
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structure-Based Drug Design of Mineralocorticoid Receptor Antagonists to Explore Oxosteroid Receptor Selectivity.
ChemMedChem, 12, 2017
5L7G
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MCR IN COMPLEX WITH LIGAND
Descriptor:Mineralocorticoid receptor, NCOA1 peptide, 1,2-ETHANEDIOL, ...
Authors:Edman, K., Aagaard, A., Backstrom, S., Xue, Y.
Deposit date:2016-06-03
Release date:2016-12-07
Last modified:2017-01-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structure-Based Drug Design of Mineralocorticoid Receptor Antagonists to Explore Oxosteroid Receptor Selectivity.
ChemMedChem, 12, 2017
5L7E
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MCR IN COMPLEX WITH LIGAND
Descriptor:Mineralocorticoid receptor, NCOA1 peptide, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ...
Authors:Edman, K., Aagaard, A., Backstrom, S., Xue, Y.
Deposit date:2016-06-03
Release date:2016-12-07
Last modified:2017-01-18
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure-Based Drug Design of Mineralocorticoid Receptor Antagonists to Explore Oxosteroid Receptor Selectivity.
ChemMedChem, 12, 2017
5G5W
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STRUCTURE GUIDED DESIGN AND DISCOVERY OF INDAZOLE ETHERS AS HIGHLY POTENT, NON-STEROIDAL GLUCOCORTICOID RECEPTOR MODULATORS
Descriptor:GLUCOCORTICOID RECEPTOR, NUCLEAR RECEPTOR COACTIVATOR 2, 1,2-ETHANEDIOL, ...
Authors:Hemmerling, M., Edman, K., Lepisto, M., Eriksson, A., Ivanova, S., Dahmen, J., Rehwinkel, H., Berger, M., Hendrickx, R., Dearman, M., Jellesmark-Jensen, T., Wissler, L., Hansson, T.
Deposit date:2016-06-08
Release date:2017-02-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Indazole Ethers as Novel, Potent, Non-Steroidal Glucocorticoid Receptor Modulators.
Bioorg.Med.Chem.Lett., 26, 2017
5G55
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3-QUINOLINE CARBOXAMIDES INHIBITORS OF PI3K
Descriptor:PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, 6-cyano-4-[[(1R)-1-(4-methylphenyl)ethyl]amino]quinoline-3-carboxamide, SULFATE ION
Authors:Edman, K., Phillips, C.
Deposit date:2016-05-20
Release date:2016-08-03
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery of Novel 3-Quinoline Carboxamides as Potent, Selective and Orally Bioavailable Inhibitors of Ataxia Telangiectasia Mutated (Atm) Kinase.
J.Med.Chem., 59, 2016
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
4URK
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PI3KG IN COMPLEX WITH AZD6482
Descriptor:PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid
Authors:Giordanetto, F., Barlaam, B., Berglund, S., Edman, K., Karlsson, O., Lindberg, J., Nylander, S., Inghardt, T.
Deposit date:2014-06-30
Release date:2014-10-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of 9-(1-Phenoxyethyl)-2-Morpholino-4-Oxo-Pyrido[1, 2-A]Pyrimidine-7-Carboxamides as Oral Pi3Kbeta Inhibitors, Useful as Antiplatelet Agents.
Bioorg.Med.Chem.Lett., 24, 2014
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
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
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
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
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
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