Author results

4WN0
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XENOPUS LAEVIS EMBRYONIC EPIDERMAL LECTIN IN COMPLEX WITH GLYCEROL PHOSPHATE
Descriptor:XEEL protein, CALCIUM ION, PHOSPHATE ION, ...
Authors:Wangkanont, K., Kiessling, L.L., Forest, K.T.
Deposit date:2014-10-10
Release date:2016-01-20
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of Xenopus Embryonic Epidermal Lectin Reveal a Conserved Mechanism of Microbial Glycan Recognition.
J.Biol.Chem., 291, 2016
4WPB
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VASCULAR ENDOTHELIAL GROWTH FACTOR IN COMPLEX WITH ALPHA/BETA-VEGF-1
Descriptor:Vascular endothelial growth factor A, alpha/beta-VEGF-1
Authors:Kreitler, D.F., Checco, J.W., Gellman, S.H., Forest, K.T.
Deposit date:2014-10-17
Release date:2015-04-15
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Targeting diverse protein-protein interaction interfaces with alpha / beta-peptides derived from the Z-domain scaffold.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XGK
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CRYSTAL STRUCUTRE OF UDP-GALACTOPYRANOSE MUTASE FROM CORYNEBACTERIUM DIPHTHERIAE IN COMPLEX WITH 2-[4-(4-CHLOROPHENYL)-7-(2-THIENYL)-2-THIA-5,6,8,9-TETRAZABICYCLO[4.3.0]NONA-4,7,9-TRIEN-3-YL]ACETIC
Descriptor:UDP-galactopyranose mutase, SULFATE ION, [(7S)-6-(4-chlorophenyl)-3-(thiophen-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid, ...
Authors:Wangkanont, K., Heroux, A., Forest, K.T., Kiessling, L.L.
Deposit date:2014-12-31
Release date:2015-08-12
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.652 Å)
Cite:Virtual Screening for UDP-Galactopyranose Mutase Ligands Identifies a New Class of Antimycobacterial Agents.
Acs Chem.Biol., 10, 2015
4XJJ
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EXTRACELLULAR DOMAIN OF TYPE II TRANSFORMING GROWTH FACTOR BETA RECEPTOR IN COMPLEX WITH 2-(2-HYDROXYETHYL)NDSB-201
Descriptor:TGF-beta receptor type-2, 3-[2-(2-hydroxyethyl)pyridinium-1-yl]propane-1-sulfonate
Authors:Wangkanont, K., Forest, K.T., Kiessling, L.L.
Deposit date:2015-01-08
Release date:2015-06-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Extracellular domain of type II Transforming Growth Factor Beta receptor in complex with 2-(2-Hydroxyethyl)NDSB-201
to be published
4Z1W
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CRYSTAL STRUCTURE OF MONOMERIC BACTERIOPHYTOCHROME MUTANT D207L Y263F FROM SYNCHROTRON
Descriptor:Bacteriophytochrome, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, 3-[2-[(Z)-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
Authors:Bhattacharya, S., Satyshur, K.A., Wangkanont, K., Lehtivuori, H., Forest, K.T.
Deposit date:2015-03-27
Release date:2016-01-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Removal of Chromophore-Proximal Polar Atoms Decreases Water Content and Increases Fluorescence in a Near Infrared Phytofluor.
Front Mol Biosci, 2, 2015
4ZRR
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CRYSTAL STRUCTURE OF MONOMERIC BACTERIOPHYTOCHROME MUTANT D207L Y263F AT 1.5 A RESOLUTION USING A HOME SOURCE.
Descriptor:Bacteriophytochrome, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, 3-[2-[(Z)-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, ...
Authors:Bhattacharya, S., Satyshur, K.A., Lehtivuori, H., Forest, K.T.
Deposit date:2015-05-12
Release date:2016-01-20
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Removal of Chromophore-Proximal Polar Atoms Decreases Water Content and Increases Fluorescence in a Near Infrared Phytofluor.
Front Mol Biosci, 2, 2015
5BR7
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STRUCTURE OF UDP-GALACTOPYRANOSE MUTASE FROM CORYNEBACTERIUM DIPHTHERIAE IN COMPLEX WITH CITRATE ION
Descriptor:UDP-galactopyranose mutase, FLAVIN-ADENINE DINUCLEOTIDE, 1,2-ETHANEDIOL, ...
Authors:Wangkanont, K., Kiessling, L.L., Forest, K.T.
Deposit date:2015-05-29
Release date:2016-06-01
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Conformational Control of UDP-Galactopyranose Mutase Inhibition.
Biochemistry, 56, 2017
5BRJ
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STRUCTURE OF THE BACTERIOPHYTOCHROME RESPONSE REGULATOR ATBRR
Descriptor:Two component response regulator, MAGNESIUM ION
Authors:Baker, A.W., Satyshur, K.A., Forest, K.T.
Deposit date:2015-05-31
Release date:2016-02-24
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.922 Å)
Cite:Arm-in-Arm Response Regulator Dimers Promote Intermolecular Signal Transduction.
J.Bacteriol., 198, 2016
5CGN
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STRUCTURE OF QUASIRACEMIC ALA-MAGAININ 2 WITH A BETA AMINO ACID SUBSTITUTION AT POSITION 8
Descriptor:D-Ala-Magainin Derivative, L-ACPC8-Ala-Magainin, CHLORIDE ION
Authors:Hayouka, Z., Thomas, N.C., Mortenson, D.E., Satyshur, K.A., Weisblum, B., Forest, K.T., Gellman, S.H.
Deposit date:2015-07-09
Release date:2015-09-23
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Quasiracemate Crystal Structures of Magainin 2 Derivatives Support the Functional Significance of the Phenylalanine Zipper Motif.
J.Am.Chem.Soc., 137, 2015
5CGO
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STRUCTURE OF QUASIRACEMIC ALA-MAGAININ 2 WITH A BETA AMINO ACID SUBSTITUTION AT POSITION 13
Descriptor:ACPC-13 derivative of Ala-Magainin 2, D-Ala-Magainin 2
Authors:Hayouka, Z., Thomas, N.C., Mortenson, D.E., Satyshur, K.A., Weisblum, B., Forest, K.T., Gellman, S.H.
Deposit date:2015-07-09
Release date:2015-09-23
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Quasiracemate Crystal Structures of Magainin 2 Derivatives Support the Functional Significance of the Phenylalanine Zipper Motif.
J.Am.Chem.Soc., 137, 2015
5EQD
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STRUCTURE OF OXIDIZED UDP-GALACTOPYRANOSE MUTASE FROM MYCOBACTERIUM SMEGMATIS IN COMPLEX WITH UDP IN OPENED AND CLOSED FORM
Descriptor:UDP-galactopyranose mutase, FLAVIN-ADENINE DINUCLEOTIDE, NITRATE ION, ...
Authors:Wangkanont, K., Kiessling, L.L., Forest, K.T.
Deposit date:2015-11-12
Release date:2016-11-23
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural dynamics of UDP-galactopyranose mutase from Mycobacterium smegmatis
to be published
5EQF
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CRYSTAL STRUCUTRE OF OXIDIZED UDP-GALACTOPYRANOSE MUTASE FROM CORYNEBACTERIUM DIPHTHERIAE WITH UDP BOUND IN CLOSED FORM
Descriptor:UDP-galactopyranose mutase, URIDINE-5'-DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Wangkanont, K., Kiessling, L.L., Forest, K.T.
Deposit date:2015-11-12
Release date:2016-11-23
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.145 Å)
Cite:Conformational Control of UDP-Galactopyranose Mutase Inhibition.
Biochemistry, 56, 2017
5ER9
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STRUCTURE OF OXIDIZED UDP-GALACTOPYRANOSE MUTASE FROM MYCOBACTERIUM SMEGMATIS IN COMPLEX WITH UDP IN MIXED CONFORMATION AND CLOSED FORM
Descriptor:UDP-galactopyranose mutase, URIDINE-5'-DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Wangkanont, K., Kiessling, L.L., Forest, K.T.
Deposit date:2015-11-13
Release date:2016-11-23
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.689 Å)
Cite:Structural dynamics of UDP-galactopyranose mutase from Mycobacterium smegmatis
to be published
5F3R
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STRUCTURE OF OXIDIZED UDP-GALACTOPYRANOSE MUTASE FROM MYCOBACTERIUM SMEGMATIS IN COMPLEX WITH MAGNESIUM ION
Descriptor:UDP-galactopyranose mutase, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
Authors:Wangkanont, K., Kiessling, L.L., Forest, K.T.
Deposit date:2015-12-03
Release date:2016-12-07
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural dynamics of UDP-galactopyranose mutase from Mycobacterium smegmatis
to be published
5I1N
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VILLIN HEADPIECE SUBDOMAIN WITH A GLN26 TO BETA-3-HOMOGLUTAMINE SUBSTITUTION
Descriptor:Villin-1, D-Villin headpiece subdomain
Authors:Kreitler, D.F., Mortenson, D.E., Gellman, S.H., Forest, K.T.
Deposit date:2016-02-05
Release date:2016-05-25
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Effects of Single alpha-to-beta Residue Replacements on Structure and Stability in a Small Protein: Insights from Quasiracemic Crystallization.
J.Am.Chem.Soc., 138, 2016
5I1O
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VILLIN HEADPIECE SUBDOMAIN WITH A GLN26 TO ACPC SUBSTITUTION
Descriptor:Villin-1, D-Villin headpiece subdomain
Authors:Kreitler, D.F., Mortenson, D.E., Gellman, S.H., Forest, K.T.
Deposit date:2016-02-05
Release date:2016-05-25
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.348 Å)
Cite:Effects of Single alpha-to-beta Residue Replacements on Structure and Stability in a Small Protein: Insights from Quasiracemic Crystallization.
J.Am.Chem.Soc., 138, 2016
5I1P
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VILLIN HEADPIECE SUBDOMAIN WITH A LYS30 TO BETA-3-HOMOLYSINE SUBSTITUTION
Descriptor:Villin-1, D-Villin headpiece subdomain, ETHANOL
Authors:Kreitler, D.F., Mortenson, D.E., Gellman, S.H., Forest, K.T.
Deposit date:2016-02-05
Release date:2016-05-25
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Effects of Single alpha-to-beta Residue Replacements on Structure and Stability in a Small Protein: Insights from Quasiracemic Crystallization.
J.Am.Chem.Soc., 138, 2016
5I1S
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VILLIN HEADPIECE SUBDOMAIN WITH A LYS30 TO APC SUBSTITUTION
Descriptor:Villin-1, D-Villin headpiece subdomain
Authors:Kreitler, D.F., Mortenson, D.E., Gellman, S.H., Forest, K.T.
Deposit date:2016-02-05
Release date:2016-05-25
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Effects of Single alpha-to-beta Residue Replacements on Structure and Stability in a Small Protein: Insights from Quasiracemic Crystallization.
J.Am.Chem.Soc., 138, 2016
5IC5
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BACTERIOPHYTOCHROME RESPONSE REGULATOR RTBRR
Descriptor:Candidate response regulator, CheY, ZINC ION, ...
Authors:Baker, A.W., Satyshur, K.A., Forest, K.T.
Deposit date:2016-02-22
Release date:2016-03-02
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Arm-in-Arm Response Regulator Dimers Promote Intermolecular Signal Transduction.
J.Bacteriol., 198, 2016
5U48
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WILD-TYPE TRANSTHYRETIN IN COMPLEX WITH 5-[(1E)-2-(4-BORONIC ACID)ETHENYL]-1,3-BENZENEDIOL
Descriptor:Transthyretin, {4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid
Authors:Windsor, I.W., Smith, T.P., Raines, R.T., Forest, K.T.
Deposit date:2016-12-03
Release date:2017-09-27
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Stilbene Boronic Acids Form a Covalent Bond with Human Transthyretin and Inhibit Its Aggregation.
J. Med. Chem., 60, 2017
5U49
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WILD-TYPE TRANSTHYRETIN IN COMPLEX WITH 5-[(1E)-2-(2-CHLORO-4-HYDROXYPHENYL)ETHENYL]-1,3-BENZENEDIOL
Descriptor:Transthyretin, 5-[(E)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol
Authors:Windsor, I.W., Smith, T.P., Raines, R.T., Forest, K.T.
Deposit date:2016-12-03
Release date:2017-09-27
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Stilbene Boronic Acids Form a Covalent Bond with Human Transthyretin and Inhibit Its Aggregation.
J. Med. Chem., 60, 2017
5U4A
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WILD-TYPE TRANSTHYRETIN IN COMPLEX WITH 5-[(1E)-2-(2-CHLORO-4-BORONIC ACID)ETHENYL]-1,3-BENZENEDIOL
Descriptor:Transthyretin, {3-chloro-4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid
Authors:Windsor, I.W., Smith, T.P., Raines, R.T., Forest, K.T.
Deposit date:2016-12-03
Release date:2017-09-27
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Stilbene Boronic Acids Form a Covalent Bond with Human Transthyretin and Inhibit Its Aggregation.
J. Med. Chem., 60, 2017
5U4B
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WILD-TYPE TRANSTHYRETIN IN COMPLEX WITH 3-[(1E)-2-(4-HYDROXYPHENYL)ETHENYL]BENZOIC ACID
Descriptor:Transthyretin, 3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid
Authors:Windsor, I.W., Smith, T.P., Raines, R.T., Forest, K.T.
Deposit date:2016-12-03
Release date:2017-09-27
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.448 Å)
Cite:Stilbene Boronic Acids Form a Covalent Bond with Human Transthyretin and Inhibit Its Aggregation.
J. Med. Chem., 60, 2017
5U4C
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WILD-TYPE TRANSTHYRETIN IN COMPLEX WITH 3-[(1E)-2-(4-BORONIC ACID)ETHENYL]BENZOIC ACID
Descriptor:Transthyretin, 3-[(E)-2-(4-boronophenyl)ethenyl]benzoic acid
Authors:Windsor, I.W., Smith, T.P., Raines, R.T., Forest, K.T.
Deposit date:2016-12-03
Release date:2017-09-27
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Stilbene Boronic Acids Form a Covalent Bond with Human Transthyretin and Inhibit Its Aggregation.
J. Med. Chem., 60, 2017
5U4D
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WILD-TYPE TRANSTHYRETIN IN COMPLEX WITH 3-[(1E)-2-(2-CHLORO-4-HYDROXYPHENYL)ETHENYL]BENZOIC ACID
Descriptor:Transthyretin, 3-[(E)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzoic acid
Authors:Windsor, I.W., Smith, T.P., Raines, R.T., Forest, K.T.
Deposit date:2016-12-03
Release date:2017-09-27
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Stilbene Boronic Acids Form a Covalent Bond with Human Transthyretin and Inhibit Its Aggregation.
J. Med. Chem., 60, 2017