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4MOO
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BU of 4moo by Molmil
Pyranose 2-oxidase H450G mutant with 2-fluorinated galactose
Descriptor: 2-deoxy-2-fluoro-alpha-D-galactopyranose, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Pyranose 2-oxidase
Authors:Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C.
Deposit date:2013-09-12
Release date:2014-02-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion.
Plos One, 9, 2014
3A2J
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BU of 3a2j by Molmil
Crystal structure of the human vitamin D receptor (H305F/H397F) ligand binding domain complexed with TEI-9647
Descriptor: (1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one, Vitamin D3 receptor
Authors:Kakuda, S, Takimoto-Kamimura, M.
Deposit date:2009-05-20
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of the histidine-mediated vitamin D receptor agonistic and antagonistic mechanisms of (23S)-25-dehydro-1alpha-hydroxyvitamin D(3)-26,23-lactone
Acta Crystallogr.,Sect.D, 66, 2010
2VZT
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BU of 2vzt by Molmil
Complex of Amycolatopsis orientalis exo-chitosanase CsxA E541A with PNP-beta-D-glucosamine
Descriptor: 4-nitrophenyl 2-amino-2-deoxy-beta-D-glucopyranoside, ACETATE ION, CADMIUM ION, ...
Authors:Lammerts van Bueren, A, Ghinet, M.G, Gregg, K, Fleury, A, Brzezinski, R, Boraston, A.B.
Deposit date:2008-08-05
Release date:2008-10-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structural Basis of Substrate Recognition in an Exo-Beta-D-Glucosaminidase Involved in Chitosan Hydrolysis.
J.Mol.Biol., 385, 2009
4MOG
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BU of 4mog by Molmil
Pyranose 2-oxidase V546C mutant with 3-fluorinated glucose
Descriptor: 3-deoxy-3-fluoro-beta-D-glucopyranose, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Pyranose 2-oxidase
Authors:Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C.
Deposit date:2013-09-12
Release date:2014-02-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion.
Plos One, 9, 2014
3A2I
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BU of 3a2i by Molmil
Crystal structure of the human vitamin D receptor (H305F) ligand binding domain complexed with TEI-9647
Descriptor: (1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one, Vitamin D3 receptor
Authors:Kakuda, S, Takimoto-Kamimura, M.
Deposit date:2009-05-20
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Structural basis of the histidine-mediated vitamin D receptor agonistic and antagonistic mechanisms of (23S)-25-dehydro-1alpha-hydroxyvitamin D(3)-26,23-lactone
Acta Crystallogr.,Sect.D, 66, 2010
4MOF
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BU of 4mof by Molmil
Pyranose 2-oxidase H450G mutant with 2-fluorinated glucose
Descriptor: 2-deoxy-2-fluoro-alpha-D-glucopyranose, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Pyranose 2-oxidase
Authors:Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C.
Deposit date:2013-09-12
Release date:2014-02-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion.
Plos One, 9, 2014
2VZU
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BU of 2vzu by Molmil
Complex of Amycolatopsis orientalis exo-chitosanase CsxA D469A with PNP-beta-D-glucosamine
Descriptor: 4-nitrophenyl 2-amino-2-deoxy-beta-D-glucopyranoside, ACETATE ION, CADMIUM ION, ...
Authors:Lammerts van Bueren, A, Ghinet, M.G, Gregg, K, Fleury, A, Brzezinski, R, Boraston, A.B.
Deposit date:2008-08-05
Release date:2008-10-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Structural Basis of Substrate Recognition in an Exo-Beta-D-Glucosaminidase Involved in Chitosan Hydrolysis.
J.Mol.Biol., 385, 2009
1UDB
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BU of 1udb by Molmil
STRUCTURE OF UDP-GALACTOSE-4-EPIMERASE COMPLEXED WITH UDP-4-DEOXY-4-FLUORO-ALPHA-D-GLUCOSE
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Thoden, J.B, Holden, H.M.
Deposit date:1997-01-06
Release date:1998-01-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural analysis of UDP-sugar binding to UDP-galactose 4-epimerase from Escherichia coli.
Biochemistry, 36, 1997
1UDA
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BU of 1uda by Molmil
STRUCTURE OF UDP-GALACTOSE-4-EPIMERASE COMPLEXED WITH UDP-4-DEOXY-4-FLUORO-ALPHA-D-GALACTOSE
Descriptor: 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ...
Authors:Thoden, J.B, Holden, H.M.
Deposit date:1997-01-06
Release date:1998-01-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of UDP-sugar binding to UDP-galactose 4-epimerase from Escherichia coli.
Biochemistry, 36, 1997
6U1I
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BU of 6u1i by Molmil
Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, phosphorylated D-cycloserine, Mg2+ and K+
Descriptor: ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase, MAGNESIUM ION, ...
Authors:Pederick, J.L, Bruning, J.B, Thompson, A.P.
Deposit date:2019-08-15
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations.
J.Biol.Chem., 295, 2020
4YWT
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BU of 4ywt by Molmil
Crystal structure of full-length glypican-1 core protein after controlled crystal dehydration to 87% relative humidity
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Glypican-1
Authors:Awad, W, Mani, K, Logan, D.T.
Deposit date:2015-03-21
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural Aspects of N-Glycosylations and the C-terminal Region in Human Glypican-1.
J.Biol.Chem., 290, 2015
6SE9
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BU of 6se9 by Molmil
Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E441Q in complex with lactose bound in shallow mode
Descriptor: ACETATE ION, Beta-galactosidase, FORMIC ACID, ...
Authors:Rutkiewicz, M, Bujacz, A, Bujacz, G.
Deposit date:2019-07-29
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.965 Å)
Cite:Active Site Architecture and Reaction Mechanism Determination of Cold Adapted beta-d-galactosidase fromArthrobactersp. 32cB.
Int J Mol Sci, 20, 2019
4LE7
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BU of 4le7 by Molmil
The Crystal Structure of Pyocin L1 at 2.09 Angstroms
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Pyocin L1
Authors:Grinter, R, Roszak, A.W, Mccaughey, L, Cogdell, R.J, Walker, D.
Deposit date:2013-06-25
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Lectin-Like Bacteriocins from Pseudomonas spp. Utilise D-Rhamnose Containing Lipopolysaccharide as a Cellular Receptor.
Plos Pathog., 10, 2014
6LX1
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BU of 6lx1 by Molmil
Potato D-enzyme complexed with Acarbose
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-1,5-anhydro-D-glucitol, 4-alpha-glucanotransferase, chloroplastic/amyloplastic, ...
Authors:Unno, H, Imamura, K.
Deposit date:2020-02-10
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structural analysis and reaction mechanism of the disproportionating enzyme (D-enzyme) from potato.
Protein Sci., 29, 2020
3KGF
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BU of 3kgf by Molmil
The structure of 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase from Mycobacterium tuberculosis complexed with phenylalanine and tryptophan
Descriptor: CHLORIDE ION, GLYCEROL, MANGANESE (II) ION, ...
Authors:Parker, E.J, Jameson, G.B, Jiao, W, Webby, C.J, Baker, E.N, Baker, H.M, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
Deposit date:2009-10-29
Release date:2010-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synergistic allostery, a sophisticated regulatory network for the control of aromatic amino acid biosynthesis in Mycobacterium tuberculosis
J.Biol.Chem., 285, 2010
1LRN
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BU of 1lrn by Molmil
Aquifex aeolicus KDO8P synthase H185G mutant in complex with Cadmium
Descriptor: CADMIUM ION, KDO-8-phosphate synthetase, PHOSPHATE ION
Authors:Wang, J, Duewel, H.S, Stuckey, J.A, Woodard, R.W, Gatti, D.L.
Deposit date:2002-05-15
Release date:2002-11-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Function of His185 in Aquifex aeolicus 3-Deoxy-D-manno-octulosonate 8-Phosphate Synthase
J.Mol.Biol., 324, 2002
4GH0
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BU of 4gh0 by Molmil
Crystal structure of D48V mutant of human GLTP bound with 12:0 monosulfatide
Descriptor: Glycolipid transfer protein, N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}dodecanamide, PENTADECANE
Authors:Samygina, V.R, Cabo-Bilbao, A, Ochoa-Lizarralde, B, Popov, A.N, Malinina, L.
Deposit date:2012-08-07
Release date:2013-04-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural insights into lipid-dependent reversible dimerization of human GLTP.
Acta Crystallogr.,Sect.D, 69, 2013
2EKP
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BU of 2ekp by Molmil
Structure of TT0495 protein from Thermus thermophilus
Descriptor: 2-deoxy-D-gluconate 3-dehydrogenase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Lokanath, N.K, Pampa, K.J, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-23
Release date:2008-04-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:The first crystal structure of NAD-dependent 3-dehydro-2-deoxy-D-gluconate dehydrogenase from Thermus thermophilus HB8
Acta Crystallogr.,Sect.D, 70, 2014
6EYT
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BU of 6eyt by Molmil
Crystal structure of the Salmonella effector SseK3 in complex with UDP-GlcNAc and Manganese
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, IODIDE ION, MANGANESE (II) ION, ...
Authors:Esposito, D, Rittinger, K.
Deposit date:2017-11-13
Release date:2018-02-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural basis for the glycosyltransferase activity of theSalmonellaeffector SseK3.
J. Biol. Chem., 293, 2018
5UYU
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BU of 5uyu by Molmil
Crystal structure of BACE1 in complex with 2-aminooxazoline-3-azaxanthene compound 12
Descriptor: (5S)-3-(3,6-dihydro-2H-pyran-4-yl)-7-[5-(prop-1-yn-1-yl)pyridin-3-yl]-5'H-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ...
Authors:Whittington, D.A, Long, A.M, Sickmier, E.A.
Deposit date:2017-02-24
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development of 2-aminooxazoline 3-azaxanthene beta-amyloid cleaving enzyme (BACE) inhibitors with improved selectivity against Cathepsin D.
Medchemcomm, 8, 2017
1Y9Q
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BU of 1y9q by Molmil
Crystal Structure of HTH_3 family Transcriptional Regulator from Vibrio cholerae
Descriptor: D-METHIONINE, ZINC ION, transcriptional regulator, ...
Authors:Kumaran, D, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2004-12-16
Release date:2005-01-04
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of HTH_3 family Transcriptional Regulator from Vibrio cholerae
To be Published
1M01
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BU of 1m01 by Molmil
Wildtype Streptomyces plicatus beta-hexosaminidase in complex with product (GlcNAc)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, CHLORIDE ION, ...
Authors:J Williams, S, Mark, B.L, Vocadlo, D.J, James, M.N.G, Withers, S.G.
Deposit date:2002-06-11
Release date:2003-01-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Aspartate 313 in the Streptomyces plicatus hexosaminidase plays a critical role in substrate-assisted catalysis by orienting the 2-acetamido group and stabilizing the transition state.
J.Biol.Chem., 277, 2002
2CF9
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BU of 2cf9 by Molmil
Complex of recombinant human thrombin with an inhibitor
Descriptor: 4-[(1R,3AS,4R,8AS,8BR)-1-ISOPROPYL-2-(4-METHOXYBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE, CALCIUM ION, HIRUDIN IIIA, ...
Authors:Schweizer, E, Hoffmann-Roeder, A, Olsen, J.A, Obst-Sander, U, Wagner, B, Kansy, M, Banner, D.W, Diederich, F.
Deposit date:2006-02-17
Release date:2006-06-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Multipolar Interactions in the D Pocket of Thrombin: Large Differences between Tricyclic Imide and Lactam Inhibitors.
Org.Biomol.Chem., 4, 2006
2V4V
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BU of 2v4v by Molmil
Crystal Structure of a Family 6 Carbohydrate-Binding Module from Clostridium cellulolyticum in complex with xylose
Descriptor: GH59 GALACTOSIDASE, SODIUM ION, beta-D-xylopyranose
Authors:Abbott, D.W, Ficko-Blean, E, Lammerts van Bueren, A, Coutinho, P.M, Henrissat, B, Gilbert, H.J, Boraston, A.B.
Deposit date:2008-09-29
Release date:2009-10-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Analysis of the Structural and Functional Diversity of Plant Cell Wall Specific Family 6 Carbohydrate Binding Modules.
Biochemistry, 48, 2009
7DQ0
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BU of 7dq0 by Molmil
Crystal structure of actinomycin D-echinomycin-d(ACGTGCT/AGCTCGT) complex
Descriptor: 2-CARBOXYQUINOXALINE, Actinomycin D, CHLORIDE ION, ...
Authors:Satange, R.B, Hou, M.H.
Deposit date:2020-12-22
Release date:2021-12-29
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synergistic binding of actinomycin D and echinomycin to DNA mismatch sites and their combined anti-tumour effects.
Nucleic Acids Res., 2023

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