Author results

1HAZ
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SNAPSHOTS OF SERINE PROTEASE CATALYSIS: (C) ACYL-ENZYME INTERMEDIATE BETWEEN PORCINE PANCREATIC ELASTASE AND HUMAN BETA-CASOMORPHIN-7 JUMPED TO PH 9 FOR 1 MINUTE
Descriptor:BETA-CASOMORPHIN-7, ELASTASE 1, CALCIUM ION, ...
Authors:Wilmouth, R.C., Edman, K., Neutze, R., Wright, P.A., Clifton, I.J., Schneider, T.R., Schofield, C.J., Hajdu, J.
Deposit date:2001-04-10
Release date:2001-08-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate
Nat.Struct.Biol., 8, 2001
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
1HAX
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SNAPSHOTS OF SERINE PROTEASE CATALYSIS: (A) ACYL-ENZYME INTERMEDIATE BETWEEN PORCINE PANCREATIC ELASTASE AND HUMAN BETA-CASOMORPHIN-7 AT PH 5
Descriptor:BETA-CASOMORPHIN-7, ELASTASE 1, CALCIUM ION, ...
Authors:Wilmouth, R.C., Edman, K., Neutze, R., Wright, P.A., Clifton, I.J., Schneider, T.R., Schofield, C.J., Hajdu, J.
Deposit date:2001-04-10
Release date:2001-08-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate
Nat.Struct.Biol., 8, 2001
2BB4
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PORCINE PANCREATIC ELASTASE COMPLEXED WITH BETA-CASOMORPHIN-7 AND ASP-PHE AT PH 5.0
Descriptor:beta-casomorphin-7, Elastase-1, ASPARTIC ACID, ...
Authors:Liu, B., Schofield, C.J., Wilmouth, R.C.
Deposit date:2005-10-17
Release date:2006-05-30
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2BD3
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PORCINE PANCREATIC ELASTASE COMPLEXED WITH BETA-CASOMORPHIN-7 AND LYS-ALA-NH2 AT PH 5.0
Descriptor:beta-casomorphin-7, Elastase-1, LYSINE, ...
Authors:Liu, B., Schofield, C.J., Wilmouth, R.C.
Deposit date:2005-10-20
Release date:2006-05-30
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2BD7
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PORCINE PANCREATIC ELASTASE COMPLEXED WITH BETA-CASOMORPHIN-7 AND ARG-PHE AT PH 5.0 (50 MIN SOAK)
Descriptor:beta-casomorphin-7, Elastase-1, ARGININE, ...
Authors:Liu, B., Schofield, C.J., Wilmouth, R.C.
Deposit date:2005-10-20
Release date:2006-05-30
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
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
1HAY
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SNAPSHOTS OF SERINE PROTEASE CATALYSIS: (B) ACYL-ENZYME INTERMEDIATE BETWEEN PORCINE PANCREATIC ELASTASE AND HUMAN BETA-CASOMORPHIN-7 JUMPED TO PH 10 FOR 10 SECONDS
Descriptor:ELASTASE 1, CALCIUM ION, SULFATE ION
Authors:Wilmouth, R.C., Edman, K., Neutze, R., Wright, P.A., Clifton, I.J., Schneider, T.R., Schofield, C.J., Hajdu, J.
Deposit date:2001-04-10
Release date:2001-08-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate
Nat.Struct.Biol., 8, 2001
2BD2
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PORCINE PANCREATIC ELASTASE COMPLEXED WITH BETA-CASOMORPHIN-7 AND ARG-PHE AT PH 5.0
Descriptor:beta-casomorphin-7, Elastase-1, ARGININE, ...
Authors:Liu, B., Schofield, C.J., Wilmouth, R.C.
Deposit date:2005-10-20
Release date:2006-05-30
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2BD4
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PORCINE PANCREATIC ELASTASE COMPLEXED WITH BETA-CASOMORPHIN-7 AND LYS-SER AT PH 5.0
Descriptor:beta-casomorphin-7, Elastase-1, LYSINE, ...
Authors:Liu, B., Schofield, C.J., Wilmouth, R.C.
Deposit date:2005-10-20
Release date:2006-05-30
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2BD8
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PORCINE PANCREATIC ELASTASE COMPLEXED WITH BETA-CASOMORPHIN-7 AND ARG-PHE AT PH 5.0 (50 MIN SOAK) AND IMMERSED IN PH 9 BUFFER FOR 30 SECONDS
Descriptor:beta-casomorphin-7, Elastase-1, ARGININE, ...
Authors:Liu, B., Schofield, C.J., Wilmouth, R.C.
Deposit date:2005-10-20
Release date:2006-05-30
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2BDB
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PORCINE PANCREATIC ELASTASE COMPLEXED WITH ASN-PRO-ILE AND ALA-ALA AT PH 5.0
Descriptor:Elastase-1, CALCIUM ION, SULFATE ION, ...
Authors:Liu, B., Schofield, C.J., Wilmouth, R.C.
Deposit date:2005-10-20
Release date:2006-05-30
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
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
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
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
2BD5
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PORCINE PANCREATIC ELASTASE COMPLEXED WITH BETA-CASOMORPHIN-7 AND LYS-SER AT PH 5 AND IMMERSED IN PH 9 BUFFER FOR 30 SECONDS
Descriptor:beta-casomorphin-7, Elastase-1, LYSINE, ...
Authors:Liu, B., Schofield, C.J., Wilmouth, R.C.
Deposit date:2005-10-20
Release date:2006-05-30
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2BDA
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PORCINE PANCREATIC ELASTASE COMPLEXED WITH N-ACETYL-NPI AND ALA-ALA AT PH 5.0
Descriptor:NPI, Elastase-1, ALANINE, ...
Authors:Liu, B., Schofield, C.J., Wilmouth, R.C.
Deposit date:2005-10-20
Release date:2006-05-30
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2BDC
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PORCINE PANCREATIC ELASTASE COMPLEXED WITH ASN-PRO-ILE AT PH 5.0
Descriptor:Elastase-1, CALCIUM ION, SULFATE ION
Authors:Liu, B., Schofield, C.J., Wilmouth, R.C.
Deposit date:2005-10-20
Release date:2006-05-30
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
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
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
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
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
2BD9
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PORCINE PANCREATIC ELASTASE COMPLEXED WITH BETA-CASOMORPHIN-7 AND ARG-PHE AT PH 5.0 (50 MIN SOAK) AND IMMERSED IN PH 9 BUFFER FOR 28 SECONDS (2ND PH JUMP)
Descriptor:Elastase-1, CALCIUM ION, SULFATE ION
Authors:Liu, B., Schofield, C.J., Wilmouth, R.C.
Deposit date:2005-10-20
Release date:2006-05-30
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
2VCQ
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COMPLEX STRUCTURE OF PROSTAGLANDIN D2 SYNTHASE AT 1.95A.
Descriptor:GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE, GLUTATHIONE, 3-phenyl-5-(1H-pyrazol-3-yl)isoxazole
Authors:Hohwy, M., Spadola, L., Lundquist, B., von Wachenfeldt, K., Persdotter, S., Hawtin, P., Dahmen, J., Groth-Clausen, I., Folmer, R.H.A., Edman, K.
Deposit date:2007-09-26
Release date:2008-04-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Novel Prostaglandin D Synthase Inhibitors Generated by Fragment-Based Drug Design.
J.Med.Chem., 51, 2008
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