Author results

4FN6
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STRUCTURAL CHARACTERIZATION OF THIAMINASE TYPE II TENA FROM STAPHYLOCOCCUS AUREUS
Descriptor:thiaminase-2, ACETATE ION, GLYCEROL
Authors:Begum, A., Drebes, J., Perbandt, M., Wrenger, C., Betzel, C.
Deposit date:2012-06-19
Release date:2012-12-19
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural Characterization of Thiaminase type II TenA from Staphylococcus aureus
TO BE PUBLISHED
4GY7
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CRYSTALLOGRAPHIC STRUCTURE ANALYSIS OF UREASE FROM JACK BEAN (CANAVALIA ENSIFORMIS) AT 1.49 A RESOLUTION
Descriptor:Urease, NICKEL (II) ION, PHOSPHATE ION, ...
Authors:Begum, A., Banumathi, S., Choudhary, M.I., Betzel, C.
Deposit date:2012-09-05
Release date:2012-11-07
Method:X-RAY DIFFRACTION (1.492 Å)
Cite:Crystallographic structure analysis of urease from Jack bean (Canavalia ensiformis) at 1.49 A Resolution
To be Published
4H9M
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THE FIRST JACK BEAN UREASE (CANAVALIA ENSIFORMIS) COMPLEX OBTAINED AT 1.52 RESOLUTION
Descriptor:Urease, NICKEL (II) ION, 1,2-ETHANEDIOL, ...
Authors:Begum, A., Choudhary, M.I., Betzel, C.
Deposit date:2012-09-24
Release date:2012-10-24
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The first Jack bean urease (Canavalia ensiformis) complex obtained at 1.52 resolution
TO BE PUBLISHED
5JID
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CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH PERFLUOROOCTANOIC ACID (PFOA)
Descriptor:Transthyretin, pentadecafluorooctanoic acid, SODIUM ION
Authors:Begum, A., Zhang, J., Olofsson, A., Andersson, P., Sauer-Eriksson, A.E.
Deposit date:2016-04-22
Release date:2016-10-05
Last modified:2016-11-09
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin.
Environ. Sci. Technol., 50, 2016
5JIM
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CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH PERFLUOROKTANSULFONSYRA (PFOS)
Descriptor:Transthyretin, heptadecafluoro-1-octanesulfonic acid, SODIUM ION
Authors:Begum, A., Zhang, J., Olofsson, A., Andersson, P., Sauer-Eriksson, A.E.
Deposit date:2016-04-22
Release date:2016-10-05
Last modified:2016-11-09
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin.
Environ. Sci. Technol., 50, 2016
5JIQ
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CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH 2,2',4,4'-TETRAHYDROXYBENZOPHENONE (BP2)
Descriptor:Transthyretin, bis(2,4-dihydroxyphenyl)methanone, SODIUM ION, ...
Authors:Begum, A., Zhang, J., Olofsson, A., Andersson, P., Sauer-Eriksson, A.E.
Deposit date:2016-04-22
Release date:2016-10-05
Last modified:2016-11-09
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin.
Environ. Sci. Technol., 50, 2016
6EUT
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THE TRANSCRIPTIONAL REGULATOR PRFA FROM LISTERIA MONOCYTOGENES IN COMPLEX WITH A RING-FUSED 2-PYRIDONE (KSK67)
Descriptor:Listeriolysin regulatory protein, (3~{R})-8-cyclopropyl-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, SODIUM ION, ...
Authors:Begum, A., Hall, M., Grundstrom, C., Kulen, M., Lindgren, M., Johansson, J., Almqvist, F., Sauer, U.H., Sauer-Eriksson, A.E.
Deposit date:2017-10-31
Release date:2018-05-02
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
6EUU
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THE TRANSCRIPTIONAL REGULATOR PRFA FROM LISTERIA MONOCYTOGENES IN COMPLEX WITH A RING-FUSED 2-PYRIDONE (KSK29)
Descriptor:Listeriolysin positive regulatory factor A, SODIUM ION, ISOPROPYL ALCOHOL, ...
Authors:Begum, A., Hall, M., Grundstrom, C., Kulen, M., Lindgren, M., Johansson, J., Almqvist, F., Sauer, U.H., Sauer-Eriksson, A.E.
Deposit date:2017-10-31
Release date:2018-05-02
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
6EUZ
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THE TRANSCRIPTIONAL REGULATOR PRFA FROM LISTERIA MONOCYTOGENES IN COMPLEX WITH A RING-FUSED 2-PYRIDONE (MK37)
Descriptor:Listeriolysin positive regulatory factor A, ISOPROPYL ALCOHOL, SODIUM ION, ...
Authors:Begum, A., Hall, M., Grundstrom, C., Kulen, M., Lindgren, M., Johansson, J., Almqvist, F., Sauer, U.H., Sauer-Eriksson, A.E.
Deposit date:2017-10-31
Release date:2018-05-02
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
6EV0
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THE TRANSCRIPTIONAL REGULATOR PRFA FROM LISTERIA MONOCYTOGENES IN COMPLEX WITH A RING-FUSED 2-PYRIDONE (AC129)
Descriptor:Listeriolysin regulatory protein, [(3~{R})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium, ISOPROPYL ALCOHOL, ...
Authors:Begum, A., Hall, M., Grundstrom, C., Cairns, A.G., Kulen, M., Lindgren, M., Johansson, J., Almqvist, F., Sauer, U.H., Sauer-Eriksson, A.E.
Deposit date:2017-10-31
Release date:2018-05-02
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
4QXV
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CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH LUTEOLIN AT 1.1 A RESOLUTION
Descriptor:Transthyretin, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, GLYCEROL, ...
Authors:Begum, A., Olofsson, A., Sauer-Eriksson, A.E.
Deposit date:2014-07-22
Release date:2015-06-03
Last modified:2015-06-17
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:The flavonoid luteolin, but not luteolin-7-o-glucoside, prevents a transthyretin mediated toxic response.
Plos One, 10, 2015
4QYA
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CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN VARIANT V30M IN COMPLEX WITH LUTEOLIN
Descriptor:Transthyretin, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, SODIUM ION
Authors:Begum, A., Olofsson, A., Sauer-Eriksson, A.E.
Deposit date:2014-07-24
Release date:2015-06-03
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The flavonoid luteolin, but not luteolin-7-o-glucoside, prevents a transthyretin mediated toxic response.
Plos One, 10, 2015
5BOJ
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CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH GEMFIBROZIL
Descriptor:Transthyretin, 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid, SODIUM ION
Authors:Begum, A., Olofsson, A., Sauer-Eriksson, A.E.
Deposit date:2015-05-27
Release date:2015-08-05
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Enthalpic Forces Correlate with the Selectivity of Transthyretin-Stabilizing Ligands in Human Plasma.
J.Med.Chem., 58, 2015
5EN3
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CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH LUTEOLIN-CL AT 1.25 A RESOLUTION
Descriptor:Transthyretin, 2-[3,4-bis(oxidanyl)phenyl]-7-chloranyl-5-oxidanyl-chromen-4-one, SODIUM ION, ...
Authors:Begum, A., Nilsson, L., Olofsson, A., Sauer-Eriksson, A.E.
Deposit date:2015-11-09
Release date:2016-04-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Modifications of the 7-Hydroxyl Group of the Transthyretin Ligand Luteolin Provide Mechanistic Insights into Its Binding Properties and High Plasma Specificity.
Plos One, 11, 2016
5HJG
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CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH TETRABROMOBISPHENOL A (TBBPA)
Descriptor:Transthyretin, 4,4'-propane-2,2-diylbis(2,6-dibromophenol), SODIUM ION
Authors:Begum, A., Iakovleva, I., Brannstrom, K., Zhang, J., Andersson, P., Olofsson, A., Sauer-Eriksson, A.E.
Deposit date:2016-01-13
Release date:2016-05-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Tetrabromobisphenol A Is an Efficient Stabilizer of the Transthyretin Tetramer.
Plos One, 11, 2016
5IHH
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CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH LUTEOLIN-MEO AT 1.35 A RESOLUTION
Descriptor:Transthyretin, 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-chromen-4-one, SODIUM ION
Authors:Begum, A., Nilsson, L., Olofsson, A., Sauer-Eriksson, A.E.
Deposit date:2016-02-29
Release date:2016-04-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Modifications of the 7-Hydroxyl Group of the Transthyretin Ligand Luteolin Provide Mechanistic Insights into Its Binding Properties and High Plasma Specificity.
Plos One, 11, 2016
5F1R
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THE TRANSCRIPTIONAL REGULATOR PRFA FROM LISTERIA MONOCYTOGENES IN COMPLEX WITH A RING-FUSED 2-PYRIDONE (C10)
Descriptor:Listeriolysin regulatory protein, (3~{R})-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
Authors:Begum, A., Grundstrom, C., Good, J.A.D., Andersson, C., ALmqvist, F., Johansson, J., Sauer, U.H., Sauer-Eriksson, A.E.
Deposit date:2015-11-30
Release date:2016-03-16
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Attenuating Listeria monocytogenes Virulence by Targeting the Regulatory Protein PrfA.
Cell Chem Biol, 23, 2016
6EXK
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THE TRANSCRIPTIONAL REGULATOR PRFA FROM LISTERIA MONOCYTOGENES IN COMPLEX WITH A RING-FUSED 2-PYRIDONE (MK206) - UNFOLDED HTH MOTIF
Descriptor:Listeriolysin regulatory protein, [(3~{R})-3-carboxy-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium, SODIUM ION, ...
Authors:Hall, M., Grundstrom, C., Begum, A., Kulen, M., Lindgren, M., Johansson, J., Almqvist, F., Sauer, U.H., Sauer-Eriksson, A.E.
Deposit date:2017-11-08
Release date:2018-05-02
Last modified:2018-11-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
6EXL
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THE TRANSCRIPTIONAL REGULATOR PRFA FROM LISTERIA MONOCYTOGENES IN COMPLEX WITH A RING-FUSED 2-PYRIDONE (MK206) - FOLDED HTH MOTIF
Descriptor:Listeriolysin positive regulatory factor A, [(3~{R})-3-carboxy-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium, SODIUM ION, ...
Authors:Hall, M., Grundstrom, C., Begum, A., Kulen, M., Lindgren, M., Johansson, J., Almqvist, F., Sauer, U.H., Sauer-Eriksson, A.E.
Deposit date:2017-11-08
Release date:2018-05-02
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
6EXM
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THE TRANSCRIPTIONAL REGULATOR PRFA FROM LISTERIA MONOCYTOGENES IN COMPLEX WITH A RING-FUSED 2-PYRIDONE (MK202)
Descriptor:Listeriolysin positive regulatory factor A, [(3~{R})-3-carboxy-7-[(2,3-dimethylphenyl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium, SODIUM ION, ...
Authors:Grundstrom, C., Begum, A., Hall, M., Kulen, M., Lindgren, M., Johansson, J., Almqvist, F., Sauer, U.H., Sauer-Eriksson, A.E.
Deposit date:2017-11-08
Release date:2018-05-02
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
1XGZ
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STRUCTURE OF THE N298S VARIANT OF HUMAN PANCREATIC ALPHA-AMYLASE
Descriptor:Alpha-amylase, pancreatic, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Maurus, R., Begum, A., Kuo, H.H., Racaza, A., Numao, S., Overall, C.M., Withers, S.G., Brayer, G.D.
Deposit date:2004-09-17
Release date:2005-05-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and mechanistic studies of chloride induced activation of human pancreatic alpha-amylase
PROTEIN SCI., 14, 2005
1XH0
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STRUCTURE OF THE N298S VARIANT OF HUMAN PANCREATIC ALPHA-AMYLASE COMPLEXED WITH ACARBOSE
Descriptor:Alpha-amylase, pancreatic, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Maurus, R., Begum, A., Kuo, H.H., Racaza, A., Numao, S., Overall, C.M., Withers, S.G., Brayer, G.D.
Deposit date:2004-09-17
Release date:2005-05-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and mechanistic studies of chloride induced activation of human pancreatic alpha-amylase
PROTEIN SCI., 14, 2005
1XH1
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STRUCTURE OF THE N298S VARIANT OF HUMAN PANCREATIC ALPHA-AMYLASE COMPLEXED WITH CHLORIDE
Descriptor:Alpha-amylase, pancreatic, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Maurus, R., Begum, A., Kuo, H.H., Racaza, A., Numao, S., Overall, C.M., Withers, S.G., Brayer, G.D.
Deposit date:2004-09-17
Release date:2005-05-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structural and mechanistic studies of chloride induced activation of human pancreatic alpha-amylase
PROTEIN SCI., 14, 2005
1XH2
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STRUCTURE OF THE N298S VARIANT OF HUMAN PANCREATIC ALPHA-AMYLASE COMPLEXED WITH CHLORIDE AND ACARBOSE
Descriptor:Alpha-amylase, pancreatic, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Maurus, R., Begum, A., Kuo, H.H., Racaza, A., Numao, S., Overall, C.M., Withers, S.G., Brayer, G.D.
Deposit date:2004-09-17
Release date:2005-05-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and mechanistic studies of chloride induced activation of human pancreatic alpha-amylase
PROTEIN SCI., 14, 2005
1U2Y
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IN SITU EXTENSION AS AN APPROACH FOR IDENTIFYING NOVEL ALPHA-AMYLASE INHIBITORS, STRUCTURE CONTAINING D-GLUCONHYDROXIMO-1,5-LACTAM
Descriptor:Alpha-amylase, pancreatic, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Numao, S., Li, C., Damager, I., Wrodnigg, T.M., Begum, A., Overall, C.M., Brayer, G.D., Withers, S.G.
Deposit date:2004-07-20
Release date:2004-09-07
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:In Situ Extension as an Approach for Identifying Novel alpha-Amylase Inhibitors.
J.Biol.Chem., 279, 2004
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