Author results

5U4E
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WILD-TYPE TRANSTHYRETIN IN COMPLEX WITH 3-[(1E)-2-(2-CHLORO-4-BORONIC ACID)ETHENYL]BENZOIC ACID
Descriptor:Transthyretin, 3-[(E)-2-(4-borono-2-chlorophenyl)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 (1.45 Å)
Cite:Stilbene Boronic Acids Form a Covalent Bond with Human Transthyretin and Inhibit Its Aggregation.
J. Med. Chem., 60, 2017
5U4F
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WILD-TYPE TRANSTHYRETIN IN COMPLEX WITH 1,1'-(1E)-(1,2-ETHENEDIYL)BIS[2-CHLORO-4-BORONIC ACID]BENZENE
Descriptor:Transthyretin, [(E)-ethene-1,2-diylbis(3-chloro-4,1-phenylene)]diboronic 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 (1.5 Å)
Cite:Stilbene Boronic Acids Form a Covalent Bond with Human Transthyretin and Inhibit Its Aggregation.
J. Med. Chem., 60, 2017
5U4G
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WILD-TYPE TRANSTHYRETIN IN COMPLEX WITH 2-BORONIC ACID-1-[(1E)-2-(3-BORONIC ACID)ETHENYL]-4-CHLOROBENZENE
Descriptor:Transthyretin, (3-{(E)-2-[2-chloro-4-(hydroxyboranyl)phenyl]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 (1.8 Å)
Cite:Stilbene Boronic Acids Form a Covalent Bond with Human Transthyretin and Inhibit Its Aggregation.
J. Med. Chem., 60, 2017
5VTI
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STRUCTURE OF PIN1 WW DOMAIN SEQUENCE 3 WITH [R,R]-ACPC LOOP SUBSTITUTION
Descriptor:Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, CHLORIDE ION
Authors:Mortenson, D.E., Kreitler, D.F., Thomas, N.C., Gellman, S.H., Forest, K.T.
Deposit date:2017-05-17
Release date:2018-02-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evaluation of beta-Amino Acid Replacements in Protein Loops: Effects on Conformational Stability and Structure.
Chembiochem, 19, 2018
5VTJ
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STRUCTURE OF PIN1 WW DOMAIN SEQUENCE 1 SUBSTITUTED WITH [S,S]ACPC
Descriptor:Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION
Authors:Mortenson, D.E., Kreitler, D.F., Thomas, N.C., Gellman, S.H., Forest, K.T.
Deposit date:2017-05-17
Release date:2018-02-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Evaluation of beta-Amino Acid Replacements in Protein Loops: Effects on Conformational Stability and Structure.
Chembiochem, 19, 2018
5VTK
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STRUCTURE OF PIN1 WW DOMAIN VARIANT 1 WITH BETA3-SER LOOP SUBSTITUTION
Descriptor:Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, CHLORIDE ION
Authors:Mortenson, D.E., Kreitler, D.F., Thomas, N.C., Gellman, S.H., Forest, K.T.
Deposit date:2017-05-17
Release date:2018-02-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Evaluation of beta-Amino Acid Replacements in Protein Loops: Effects on Conformational Stability and Structure.
Chembiochem, 19, 2018
6C8X
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WILD-TYPE HIV-1 PROTEASE IN COMPLEX WITH A PHENYLBORONIC ACID (P2') ANALOG OF DARUNAVIR
Descriptor:Protease, [4-[[(2~{R},3~{S})-3-[[(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]-(2-methylpropyl)sulfamoyl]phenyl]-oxidanyl-oxidanylidene-boron, CHLORIDE ION, ...
Authors:Windsor, I.W., Raines, R.T., Forest, K.T.
Deposit date:2018-01-25
Release date:2018-12-05
Method:X-RAY DIFFRACTION (1.613 Å)
Cite:Sub-picomolar Inhibition of HIV-1 Protease with a Boronic Acid.
J. Am. Chem. Soc., 140, 2018
6C8Y
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D30N HIV-1 PROTEASE IN COMPLEX WITH A PHENYLBORONIC ACID (P2') ANALOG OF DARUNAVIR
Descriptor:Protease, CHLORIDE ION, [4-[[(2~{R},3~{S})-3-[[(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]-(2-methylpropyl)sulfamoyl]phenyl]-oxidanyl-oxidanylidene-boron, ...
Authors:Windsor, I.W., Raines, R.T., Forest, K.T.
Deposit date:2018-01-25
Release date:2018-12-05
Method:X-RAY DIFFRACTION (1.942 Å)
Cite:Sub-picomolar Inhibition of HIV-1 Protease with a Boronic Acid.
J. Am. Chem. Soc., 140, 2018
6D2E
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CRYSTAL STRUCTURE OF CORYNEBACTERIUM DIPHTHERIAE UDP-GALACTOPYRANOSE MUTASE IN COMPLEX WITH UDP-GALACTOPYRANOSE (OPEN, OXIDIZED)
Descriptor:UDP-galactopyranose mutase, FLAVIN-ADENINE DINUCLEOTIDE, GALACTOSE-URIDINE-5'-DIPHOSPHATE, ...
Authors:Wangkanont, K., Kiessling, L.L., Forest, K.T.
Deposit date:2018-04-13
Release date:2019-04-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Substrate recognition by FAD in UDP-galactopyranose mutase
To be published
6D2G
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CRYSTAL STRUCTURE OF CORYNEBACTERIUM DIPHTHERIAE UDP-GALACTOPYRANOSE MUTASE IN COMPLEX WITH UDP-GALACTOPYRANOSE (OPEN, REDUCED)
Descriptor:UDP-galactopyranose mutase, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SODIUM ION, ...
Authors:Wangkanont, K., Kiessling, L.L., Forest, K.T.
Deposit date:2018-04-13
Release date:2019-04-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Substrate recognition by FAD in UDP-galactopyranose mutase
To be published
6D52
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SUPEROXIDE DISMUTASE SODCI OF SALMONELLA ENTERICA SEROVAR TYPHIMURIUM AT 1.6 ANGSTROM RESOLUTION
Descriptor:Superoxide dismutase [Cu-Zn] 1, ZINC ION, COPPER (II) ION
Authors:Newhouse IX, P.W., Forest, K.T., Satyshur, K.A.
Deposit date:2018-04-19
Release date:2019-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Superoxide dismutase SodCI of Salmonella enterica serovar Typhimurium at 1.6 Angstrom resolution
to be published
6D99
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CRYSTAL STRUCTURE OF CORYNEBACTERIUM DIPHTHERIAE UDP-GALACTOPYRANOSE MUTASE IN COMPLEX WITH UDP-GALNAC (OPEN, OXIDIZED)
Descriptor:UDP-galactopyranose mutase, FLAVIN-ADENINE DINUCLEOTIDE, SODIUM ION, ...
Authors:Wangkanont, K., Kiessling, L.L., Forest, K.T.
Deposit date:2018-04-28
Release date:2019-05-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Substrate recognition by FAD in UDP-galactopyranose mutase
To be published
6D9A
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CRYSTAL STRUCTURE OF CORYNEBACTERIUM DIPHTHERIAE UDP-GALACTOPYRANOSE MUTASE IN COMPLEX WITH UDP-GALNAC (OPEN, REDUCED)
Descriptor:UDP-galactopyranose mutase, SODIUM ION, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
Authors:Wangkanont, K., Kiessling, L.L., Forest, K.T.
Deposit date:2018-04-28
Release date:2019-05-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Substrate recognition by FAD in UDP-galactopyranose mutase
To be published
6D9B
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CRYSTAL STRUCTURE OF CORYNEBACTERIUM DIPHTHERIAE UDP-GALACTOPYRANOSE MUTASE IN COMPLEX WITH UDP-GLUCOSE (OPEN, OXIDIZED)
Descriptor:UDP-galactopyranose mutase, FLAVIN-ADENINE DINUCLEOTIDE, SODIUM ION, ...
Authors:Wangkanont, K., Kiessling, L.L., Forest, K.T.
Deposit date:2018-04-28
Release date:2019-05-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Substrate recognition by FAD in UDP-galactopyranose mutase
To be published
6D9C
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CRYSTAL STRUCTURE OF CORYNEBACTERIUM DIPHTHERIAE UDP-GALACTOPYRANOSE MUTASE IN COMPLEX WITH UDP-GLUCOSE (OPEN, REDUCED)
Descriptor:UDP-galactopyranose mutase, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, URIDINE-5'-DIPHOSPHATE-GLUCOSE, ...
Authors:Wangkanont, K., Kiessling, L.L., Forest, K.T.
Deposit date:2018-04-28
Release date:2019-05-15
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Substrate recognition by FAD in UDP-galactopyranose mutase
To be published
6D9D
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CRYSTAL STRUCTURE OF CORYNEBACTERIUM DIPHTHERIAE UDP-GALACTOPYRANOSE MUTASE IN COMPLEX WITH UDP-GLCNAC (OPEN, OXIDIZED)
Descriptor:UDP-galactopyranose mutase, FLAVIN-ADENINE DINUCLEOTIDE, SODIUM ION, ...
Authors:Wangkanont, K., Kiessling, L.L., Forest, K.T.
Deposit date:2018-04-28
Release date:2019-05-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Substrate recognition by FAD in UDP-galactopyranose mutase
To be published
6D9E
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CRYSTAL STRUCTURE OF CORYNEBACTERIUM DIPHTHERIAE UDP-GALACTOPYRANOSE MUTASE IN COMPLEX WITH UDP-GLCNAC (OPEN, REDUCED)
Descriptor:UDP-galactopyranose mutase, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, ...
Authors:Wangkanont, K., Kiessling, L.L., Forest, K.T.
Deposit date:2018-04-28
Release date:2019-05-15
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Substrate recognition by FAD in UDP-galactopyranose mutase
To be published
6MPL
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RACEMIC M2-TM I39A CRYSTALLIZED FROM RACEMIC DETERGENT
Descriptor:Matrix protein 2, B-OCTYLGLUCOSIDE, (4S)-2-METHYL-2,4-PENTANEDIOL
Authors:Kreitler, D.F., Yao, Z., Mortenson, D.E., Forest, K.T., Gellman, S.H.
Deposit date:2018-10-07
Release date:2019-01-30
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A Hendecad Motif Is Preferred for Heterochiral Coiled-Coil Formation.
J. Am. Chem. Soc., 141, 2019
6MPM
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RACEMIC M2-TM I42A CRYSTALLIZED FROM RACEMIC DETERGENT
Descriptor:Matrix protein 2, B-OCTYLGLUCOSIDE
Authors:Kreitler, D.F., Yao, Z., Mortenson, D.E., Forest, K.T., Gellman, S.H.
Deposit date:2018-10-07
Release date:2019-01-30
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A Hendecad Motif Is Preferred for Heterochiral Coiled-Coil Formation.
J. Am. Chem. Soc., 141, 2019
6MPN
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RACEMIC M2-TM I42E CRYSTALLIZED FROM RACEMIC DETERGENT
Descriptor:Matrix protein 2, B-OCTYLGLUCOSIDE
Authors:Kreitler, D.F., Yao, Z., Mortenson, D.E., Forest, K.T., Gellman, S.H.
Deposit date:2018-10-07
Release date:2019-01-30
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A Hendecad Motif Is Preferred for Heterochiral Coiled-Coil Formation.
J. Am. Chem. Soc., 141, 2019
6NIV
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RACEMIC PHENOL-SOLUBLE MODULIN ALPHA 3 PEPTIDE
Descriptor:Phenol-soluble modulin PSM-alpha-3
Authors:Yao, Z., Cary, B.P., Bingman, C.A., Wang, C., Kreitler, D.F., Satyshur, K.A., Forest, K.T., Gellman, S.H.
Deposit date:2018-12-31
Release date:2019-05-15
Last modified:2019-05-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Use of a Stereochemical Strategy To Probe the Mechanism of Phenol-Soluble Modulin alpha 3 Toxicity.
J.Am.Chem.Soc., 141, 2019
6O4M
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RACEMIC MELITTIN
Descriptor:D-Melittin, Melittin, SULFATE ION
Authors:Kurgan, K.W., Bingman, C.A., Gellman, S.H., Forest, K.T.
Deposit date:2019-02-28
Release date:2019-05-22
Last modified:2019-05-29
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Retention of Native Quaternary Structure in Racemic Melittin Crystals.
J.Am.Chem.Soc., 141, 2019
1OQV
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STRUCTURE OF TCPA, THE TYPE IV PILIN SUBUNIT FROM THE TOXIN CO-REGULATED PILUS OF VIBRIO CHOLERAE CLASSICAL BIOTYPE
Descriptor:toxin-coregulated pilus subunit, GLYCEROL
Authors:Craig, L., Tainer, J.A.
Deposit date:2003-03-11
Release date:2003-06-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Type IV Pilin Structure and Assembly: X-Ray and EM Analyses of Vibrio cholerae Toxin-Coregulated Pilus and Pseudomonas aeruginosa PAK Pilin
Mol.Cell, 11, 2003
4IJG
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CRYSTAL STRUCTURE OF MONOMERIC BACTERIOPHYTOCHROME
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, GLYCEROL, ...
Authors:Auldridge, M.E.
Deposit date:2012-12-21
Release date:2013-12-25
Last modified:2014-12-03
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Origins of fluorescence in evolved bacteriophytochromes.
J.Biol.Chem., 289, 2014
5MP2
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XCPQN012 IN COMPLEX WITH VHH04
Descriptor:Type II secretion system protein D, Camelid nanobody VHH04
Authors:Trinh, T.T.N., Roussel, A., Douzi, B., Voulhoux, R.
Deposit date:2016-12-15
Release date:2017-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Unraveling the Self-Assembly of the Pseudomonas aeruginosa XcpQ Secretin Periplasmic Domain Provides New Molecular Insights into Type II Secretion System Secreton Architecture and Dynamics.
MBio, 8, 2017