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PDB: 160 results

6PVG
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BU of 6pvg by Molmil
Crystal structure of ligand free PhqK
Descriptor: FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Fraley, A.E, Smith, J.L, Sherman, D.H.
Deposit date:2019-07-20
Release date:2020-01-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.709 Å)
Cite:Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
6PVI
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BU of 6pvi by Molmil
Crystal structure of PhqK in complex with paraherquamide L
Descriptor: (8aS,13S,13aR,14aS)-4,4,13,15,15-pentamethyl-12,13,14,14a,15,16-hexahydro-4H,8H,9H,11H-8a,13a-(epiminomethano)[1,4]dioxepino[2,3-a]indolizino[6,7-h]carbazol-17-one, FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Fraley, A.E, Smith, J.L, Sherman, D.H.
Deposit date:2019-07-20
Release date:2020-01-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
6PVJ
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BU of 6pvj by Molmil
Crystal structure of PhqK in complex with malbrancheamide C
Descriptor: (5aS,12aS,13aS)-9-bromo-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Fraley, A.E, Smith, J.L, Sherman, D.H.
Deposit date:2019-07-20
Release date:2020-01-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
7R0X
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BU of 7r0x by Molmil
Structure of the branching thioesterase from oocydin biosynthesis
Descriptor: Polyketide synthase
Authors:Fraley, A.E, Piel, J.
Deposit date:2022-02-02
Release date:2022-08-10
Last modified:2022-09-28
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Structure of a Promiscuous Thioesterase Domain Responsible for Branching Acylation in Polyketide Biosynthesis.
Angew.Chem.Int.Ed.Engl., 61, 2022
4UP4
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BU of 4up4 by Molmil
Structure of the recombinant lectin PVL from Psathyrella velutina in complex with GlcNAcb-D-1,3Galactoside
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose, ...
Authors:Audfray, A, Beljoudi, M, Hurbin, A, Varrot, A, Breiman, A, Busser, B, Lependu, J, Coll, J.L, Imberty, A.
Deposit date:2014-06-12
Release date:2015-01-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A Recombinant Fungal Lectin for Labeling Truncated Glycans on Human Cancer Cells.
Plos One, 10, 2015
6PVF
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BU of 6pvf by Molmil
Crystal structure of PhqK in complex with malbrancheamide B
Descriptor: (5aS,12aS,13aS)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Fraley, A.E, Smith, J.L, Sherman, D.H.
Deposit date:2019-07-20
Release date:2020-01-22
Last modified:2020-02-19
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
6PVH
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BU of 6pvh by Molmil
Crystal structure of PhqK in complex with paraherquamide K
Descriptor: (7aS,12S,12aR,13aS)-3,3,12,14,14-pentamethyl-3,7,11,12,13,13a,14,15-octahydro-8H,10H-7a,12a-(epiminomethano)indolizino[6,7-h]pyrano[3,2-a]carbazol-16-one, FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Fraley, A.E, Smith, J.L, Sherman, D.H.
Deposit date:2019-07-20
Release date:2020-01-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
5WGV
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BU of 5wgv by Molmil
Crystal Structure of MalA' C112S/C128S, premalbrancheamide complex
Descriptor: (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ...
Authors:Fraley, A.E, Smith, J.L.
Deposit date:2017-07-14
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids.
J. Am. Chem. Soc., 139, 2017
5WGU
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BU of 5wgu by Molmil
Crystal Structure of MalA' E494D, premalbrancheamide complex
Descriptor: (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ...
Authors:Fraley, A.E, Smith, J.L.
Deposit date:2017-07-14
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.052 Å)
Cite:Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids.
J. Am. Chem. Soc., 139, 2017
5WGT
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BU of 5wgt by Molmil
Crystal Structure of MalA' H253A, premalbrancheamide complex
Descriptor: (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ...
Authors:Fraley, A.E, Smith, J.L.
Deposit date:2017-07-14
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids.
J. Am. Chem. Soc., 139, 2017
5WGY
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BU of 5wgy by Molmil
Crystal Structure of MalA' C112S/C128S, malbrancheamide B complex
Descriptor: (5aS,12aS,13aS)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ...
Authors:Fraley, A.E, Smith, J.L.
Deposit date:2017-07-14
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids.
J. Am. Chem. Soc., 139, 2017
5WGW
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BU of 5wgw by Molmil
Crystal Structure of Wild-type MalA', malbrancheamide B complex
Descriptor: (5aS,12aS,13aS)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ...
Authors:Fraley, A.E, Smith, J.L.
Deposit date:2017-07-14
Release date:2017-08-16
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (2.092 Å)
Cite:Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids.
J. Am. Chem. Soc., 139, 2017
5LPC
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BU of 5lpc by Molmil
Crystal structure of Vanadium-dependent Haloperoxidase from A. marina
Descriptor: PHOSPHATE ION, Vanadium-dependent bromoperoxidase
Authors:Frank, A, Groll, M.
Deposit date:2016-08-12
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Characterization of a Cyanobacterial Haloperoxidase and Evaluation of its Biocatalytic Halogenation Potential.
Chembiochem, 17, 2016
8A82
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BU of 8a82 by Molmil
Fe(II)/aKG-dependent halogenase OocPQ
Descriptor: Cupin_8 domain-containing protein, FE (III) ION, GLYCEROL, ...
Authors:Fraley, A.E, Meoded, R.A, Schmalhofer, M, Bergande, C, Groll, M, Piel, J.
Deposit date:2022-06-21
Release date:2023-03-08
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Heterocomplex structure of a polyketide synthase component involved in modular backbone halogenation.
Structure, 31, 2023
5WGX
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BU of 5wgx by Molmil
Crystal Structure of MalA' H253A, malbrancheamide B complex
Descriptor: (5aS,12aS,13aS)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ...
Authors:Fraley, A.E, Smith, J.L.
Deposit date:2017-07-14
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.973 Å)
Cite:Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids.
J. Am. Chem. Soc., 139, 2017
5WGS
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BU of 5wgs by Molmil
Crystal Structure of MalA' H253F, premalbrancheamide complex
Descriptor: (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ...
Authors:Fraley, A.E, Smith, J.L.
Deposit date:2017-07-14
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids.
J. Am. Chem. Soc., 139, 2017
5WGR
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BU of 5wgr by Molmil
Crystal Structure of Wild-type MalA', premalbrancheamide complex
Descriptor: (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ...
Authors:Fraley, A.E, Smith, J.L.
Deposit date:2017-07-14
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.362 Å)
Cite:Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids.
J. Am. Chem. Soc., 139, 2017
5WGZ
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BU of 5wgz by Molmil
Crystal Structure of Wild-type MalA', isomalbrancheamide B complex
Descriptor: (5aS,12aS,13aS)-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ...
Authors:Fraley, A.E, Smith, J.L.
Deposit date:2017-07-14
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.041 Å)
Cite:Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids.
J. Am. Chem. Soc., 139, 2017
1XHY
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BU of 1xhy by Molmil
X-ray structure of the Y702F mutant of the GluR2 ligand-binding core (S1S2J) in complex with kainate at 1.85 A resolution
Descriptor: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor, SULFATE ION
Authors:Frandsen, A, Pickering, D.S, Vestergaard, B, Kasper, C, Nielsen, B.B, Greenwood, J.R, Campiani, G, Gajhede, M, Schousboe, A, Kastrup, J.S.
Deposit date:2004-09-21
Release date:2005-03-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Tyr702 Is an Important Determinant of Agonist Binding and Domain Closure of the Ligand-Binding Core of GluR2.
Mol.Pharmacol., 67, 2005
4I6S
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BU of 4i6s by Molmil
Structure of RSL mutant W76A in complex with L-fucose
Descriptor: 1,2-ETHANEDIOL, Putative fucose-binding lectin protein, TETRAETHYLENE GLYCOL, ...
Authors:Audfray, A, Arnaud, J, Varrot, A, Imberty, A.
Deposit date:2012-11-30
Release date:2013-07-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Reduction of lectin valency drastically changes glycolipid dynamics in membranes but not surface avidity
Acs Chem.Biol., 8, 2013
3ZWE
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BU of 3zwe by Molmil
Structure of BambL, a lectin from Burkholderia ambifaria, complexed with blood group B epitope
Descriptor: BAMBL LECTIN, alpha-L-fucopyranose, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ...
Authors:Audfray, A, Claudinon, J, Abounit, S, Ruvoen-Clouet, N, Larson, G, Wimmerova, M, LePendu, J, Romer, W, Varrot, A, Imberty, A.
Deposit date:2011-07-29
Release date:2011-12-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fucose-Binding Lectin from Opportunistic Pathogen Burkholderia Ambifaria Binds to Both Plant and Human Oligosaccharidic Epitopes.
J.Biol.Chem., 287, 2012
3ZW1
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BU of 3zw1 by Molmil
Structure of Bambl lectine in complex with lewix x antigen
Descriptor: BAMBL LECTIN, alpha-D-galactopyranose, alpha-L-fucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Audfray, A, Claudinon, J, Abounit, S, Ruvoen-Clouet, N, Larson, G, Wimmerova, M, Lependu, J, Romer, W, Varrot, A, Imberty, A.
Deposit date:2011-07-28
Release date:2011-11-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Deciphering the Glycan Preference of Bacterial Lectins by Glycan Array and Molecular Docking with Validation by Microcalorimetry and Crystallography.
Plos One, 8, 2013
3ZW2
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BU of 3zw2 by Molmil
Structure of the lectin Bambl from Burkholderia ambifaria in complex with blood group H type 1 tetrasaccharide
Descriptor: BAMBL LECTIN, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Audfray, A, Claudinon, J, Abounit, S, Ruvoen-Clouet, N, Larson, G, Wimmerova, M, Lependu, J, Romer, W, Varrot, A, Imberty, A.
Deposit date:2011-07-28
Release date:2011-11-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fucose-Binding Lectin from Opportunistic Pathogen Burkholderia Ambifaria Binds to Both Plant and Human Oligosaccharidic Epitopes.
J.Biol.Chem., 287, 2012
3ZW0
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BU of 3zw0 by Molmil
Structure of BambL lectin from Burkholderia ambifaria
Descriptor: BAMBL LECTIN, alpha-L-fucopyranose
Authors:Audfray, A, Claudinon, J, Abounit, S, Ruvoen-Clouet, N, Larson, G, Wimmerova, M, LePendu, J, Romer, W, Varrot, A, Imberty, A.
Deposit date:2011-07-28
Release date:2011-12-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fucose-Binding Lectin from Opportunistic Pathogen Burkholderia Ambifaria Binds to Both Plant and Human Oligosaccharidic Epitopes.
J.Biol.Chem., 287, 2012
3ZZV
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BU of 3zzv by Molmil
BambL complexed with Htype2 tetrasaccharide
Descriptor: BAMBL LECTIN, alpha-L-fucopyranose, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Audfray, A, Claudinon, J, Abounit, S, Ruvoen-Clouet, N, Larson, G, Wimmerova, M, LePendu, J, Romer, W, Varrot, A, Imberty, A.
Deposit date:2011-09-05
Release date:2011-12-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Fucose-Binding Lectin from Opportunistic Pathogen Burkholderia Ambifaria Binds to Both Plant and Human Oligosaccharidic Epitopes.
J.Biol.Chem., 287, 2012

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