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4AG9
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BU of 4ag9 by Molmil
C. elegans glucosamine-6-phosphate N-acetyltransferase (GNA1): ternary complex with coenzyme A and GlcNAc
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, COENZYME A, ...
Authors:Dorfmueller, H.C, Fang, W, Rao, F.V, Blair, D.E, Attrill, H, Shepherd, S.M, van Aalten, D.M.F.
Deposit date:2012-01-24
Release date:2012-07-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural and Biochemical Characterization of a Trapped Coenzyme a Adduct of Caenorhabditis Elegans Glucosamine-6-Phosphate N-Acetyltransferase 1.
Acta Crystallogr.,Sect.D, 68, 2012
2FUE
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BU of 2fue by Molmil
Human alpha-Phosphomannomutase 1 with D-mannose 1-phosphate and Mg2+ cofactor bound
Descriptor: 1-O-phosphono-alpha-D-mannopyranose, MAGNESIUM ION, Phosphomannomutase 1
Authors:Silvaggi, N.R, Zhang, C, Lu, Z, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2006-01-26
Release date:2006-03-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The X-ray crystal structures of human alpha-phosphomannomutase 1 reveal the structural basis of congenital disorder of glycosylation type 1a.
J.Biol.Chem., 281, 2006
4N91
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Crystal structure of a trap periplasmic solute binding protein from anaerococcus prevotii dsm 20548 (Apre_1383), target EFI-510023, with bound alpha/beta d-glucuronate
Descriptor: CHLORIDE ION, TETRAETHYLENE GLYCOL, TRAP dicarboxylate transporter, ...
Authors:Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-10-18
Release date:2013-11-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
3E8M
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BU of 3e8m by Molmil
Structure-function Analysis of 2-Keto-3-deoxy-D-glycero-D-galacto-nononate-9-phosphate (KDN) Phosphatase Defines a New Clad Within the Type C0 HAD Subfamily
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, Acylneuraminate cytidylyltransferase, ...
Authors:Lu, Z, Wang, L, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2008-08-20
Release date:2008-11-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structure-Function Analysis of 2-Keto-3-deoxy-D-glycero-D-galactonononate-9-phosphate Phosphatase Defines Specificity Elements in Type C0 Haloalkanoate Dehalogenase Family Members.
J.Biol.Chem., 284, 2009
4OI9
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BU of 4oi9 by Molmil
Crystal Structure of ICAM-5 D1-D4 ectodomain fragment, Space Group P21
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Recacha, R, Jimenez, D, Tian, L, Barredo, R, Ghamberg, C, Casasnovas, J.M.
Deposit date:2014-01-19
Release date:2014-07-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of an ICAM-5 ectodomain fragment show electrostatic-based homophilic adhesions.
Acta Crystallogr.,Sect.D, 70, 2014
2PX7
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BU of 2px7 by Molmil
Crystal structure of 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase from Thermus thermophilus HB8
Descriptor: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase
Authors:Chen, L, Tsukuda, M, Ebihara, A, Shinkai, A, Kuramitsu, S, Yokoyama, S, Chen, L.-Q, Liu, Z.-J, Lee, D, Chang, S.-H, Nguyen, D, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG), RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-05-14
Release date:2007-06-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase from Thermus thermophilus HB8.
To be Published
4PF6
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BU of 4pf6 by Molmil
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM ROSEOBACTER DENITRIFICANS (RD1_0742, TARGET EFI-510239) WITH BOUND 3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID (KDO)
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, C4-dicarboxylate-binding protein, SULFATE ION, ...
Authors:Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-04-28
Release date:2014-05-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4N8Y
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BU of 4n8y by Molmil
Crystal structure of a trap periplasmic solute binding protein from bradyrhizobium sp. btai1 b (bbta_0128), target EFI-510056 (bbta_0128), complex with alpha/beta-d-galacturonate
Descriptor: Putative TRAP-type C4-dicarboxylate transport system, binding periplasmic protein (DctP subunit), alpha-D-galactopyranuronic acid, ...
Authors:Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-10-18
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
1K54
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BU of 1k54 by Molmil
OXA-10 class D beta-lactamase partially acylated with reacted 6beta-(1-hydroxy-1-methylethyl) penicillanic acid
Descriptor: (1R)-2-(1-CARBOXY-2-HYDROXY-2-METHYL-PROPYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, 1,2-ETHANEDIOL, Beta lactamase OXA-10, ...
Authors:Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S.
Deposit date:2001-10-10
Release date:2001-11-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases.
Proc.Natl.Acad.Sci.USA, 98, 2001
5E5W
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BU of 5e5w by Molmil
Hemagglutinin-esterase-fusion mutant structure of influenza D virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin-esterase, ...
Authors:Song, H, Qi, J, Shi, Y, Gao, G.F.
Deposit date:2015-10-09
Release date:2016-03-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An Open Receptor-Binding Cavity of Hemagglutinin-Esterase-Fusion Glycoprotein from Newly-Identified Influenza D Virus: Basis for Its Broad Cell Tropism
PLoS Pathog., 12, 2016
1P4J
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BU of 1p4j by Molmil
Crystal structure of glycogen phosphorylase b in complex with C-(1-hydroxy-beta-D-glucopyranosyl)formamide
Descriptor: (2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxane-2-carboxamide, Glycogen phosphorylase, muscle form, ...
Authors:Chrysina, E.D, Oikonomakos, N.G, Zographos, S.E, Kosmopoulou, M.N, Bischler, N, Leonidas, D.D, Nagy, V, Somsak, L, Gergely, P, Praly, J.-P.
Deposit date:2003-04-23
Release date:2004-05-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crsytallographic Studies on alpha- and beta-D-glucopyranosyl Formamide Analogues, Inhibitors of Glycogen Phosphorylase
Biocatal.Biotransfor., 21, 2003
5E66
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BU of 5e66 by Molmil
The complex structure of Hemagglutinin-esterase-fusion mutant protein from the influenza D virus with receptor analog 9-N-Ac-Sia
Descriptor: (6R)-5-acetamido-6-[(1S,2S)-3-acetamido-1,2-dihydroxypropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranosonic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Song, H, Qi, J, Shi, Y, Gao, G.F.
Deposit date:2015-10-09
Release date:2016-03-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:An Open Receptor-Binding Cavity of Hemagglutinin-Esterase-Fusion Glycoprotein from Newly-Identified Influenza D Virus: Basis for Its Broad Cell Tropism
PLoS Pathog., 12, 2016
3RLG
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BU of 3rlg by Molmil
Crystal structure of Loxosceles intermedia phospholipase D isoform 1 H12A mutant
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Giuseppe, P.O, Ullah, A, Veiga, S.S, Murakami, M.T, Arni, R.K.
Deposit date:2011-04-19
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallization and preliminary X-ray diffraction analysis of a class II phospholipase D from Loxosceles intermedia venom.
Acta Crystallogr.,Sect.F, 67, 2011
195D
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BU of 195d by Molmil
X-RAY STRUCTURES OF THE B-DNA DODECAMER D(CGCGTTAACGCG) WITH AN INVERTED CENTRAL TETRANUCLEOTIDE AND ITS NETROPSIN COMPLEX
Descriptor: DNA (5'-D(*CP*GP*CP*GP*TP*TP*AP*AP*CP*GP*CP*G)-3'), NETROPSIN
Authors:Balendiran, K, Rao, S.T, Sekharudu, C.Y, Zon, G, Sundaralingam, M.
Deposit date:1994-10-04
Release date:1995-02-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-ray structures of the B-DNA dodecamer d(CGCGTTAACGCG) with an inverted central tetranucleotide and its netropsin complex.
Acta Crystallogr.,Sect.D, 51, 1995
3CUK
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BU of 3cuk by Molmil
Crystal structure of human D-amino acid oxidase: bound to an inhibitor
Descriptor: 4H-furo[3,2-b]pyrrole-5-carboxylic acid, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Prasad, S, Munshi, S.
Deposit date:2008-04-16
Release date:2008-07-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:The discovery of fused pyrrole carboxylic acids as novel, potent D-amino acid oxidase (DAO) inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3RGT
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BU of 3rgt by Molmil
Crystal structure of d-mannonate dehydratase from Chromohalobacter salexigens complexed with D-Arabinohydroxamate
Descriptor: (2S,3R,4R)-2,3,4,5-tetrahydroxy-N-oxo-pentanamide, COBALT (II) ION, D-mannonate dehydratase
Authors:Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C.
Deposit date:2011-04-09
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of d-mannonate dehydratase from Chromohalobacter salexigens complexed with d-arabinohydroxamate
To be Published
3CSC
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BU of 3csc by Molmil
STRUCTURE OF TERNARY COMPLEXES OF CITRATE SYNTHASE WITH D-AND L-MALATE: MECHANISTIC IMPLICATIONS
Descriptor: (2S)-2-hydroxybutanedioic acid, ACETYL COENZYME *A, CITRATE SYNTHASE
Authors:Karpusas, M, Holland, D, Remington, S.J.
Deposit date:1990-05-07
Release date:1991-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1.9-A structures of ternary complexes of citrate synthase with D- and L-malate: mechanistic implications.
Biochemistry, 30, 1991
2DWU
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BU of 2dwu by Molmil
Crystal Structure of Glutamate Racemase Isoform RacE1 from Bacillus anthracis
Descriptor: D-GLUTAMIC ACID, GLYCEROL, Glutamate racemase, ...
Authors:Mehboob, S, Santarsiero, B.D, Johnson, M.E.
Deposit date:2006-08-17
Release date:2007-06-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and Functional Analysis of Two Glutamate Racemase Isozymes from Bacillus anthracis and Implications for Inhibitor Design
J.Mol.Biol., 371, 2007
2BOJ
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BU of 2boj by Molmil
crystal Structure of pseudomonas aeruginosa lectin (PA-IIL) complexed with methyl-B-D-Arabinopyranoside
Descriptor: CALCIUM ION, PSEUDOMONAS AERUGINOSA LECTIN II, SULFATE ION, ...
Authors:Sabin, C.D, Mitchell, E.P, Wimmerova, M, Imberty, A.
Deposit date:2005-04-12
Release date:2006-02-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding of Different Monosaccharides by Lectin Pa-Iil from Pseudoman Aeruginosa: Thermodynamics Data Correlated with X-Ray Structures.
FEBS Lett., 580, 2006
4G20
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BU of 4g20 by Molmil
Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor
Descriptor: 3-(5'-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Ciesielski, F, Sato, Y, Moras, D, Rochel, N.
Deposit date:2012-07-11
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
110D
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BU of 110d by Molmil
ANTHRACYCLINE-DNA INTERACTIONS AT UNFAVOURABLE BASE BASE-PAIR TRIPLET-BINDING SITES: STRUCTURES OF D(CGGCCG)/DAUNOMYCIN AND D(TGGCCA)/ADRIAMYCIN COMPL
Descriptor: DAUNOMYCIN, DNA (5'-D(*CP*GP*GP*CP*CP*G)-3')
Authors:Leonard, G.A, Hambley, T.W, McAuley-Hecht, K, Brown, T, Hunter, W.N.
Deposit date:1993-01-21
Release date:1993-04-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Anthracycline-DNA interactions at unfavourable base-pair triplet-binding sites: structures of d(CGGCCG)/daunomycin and d(TGGCCA)/adriamycin complexes.
Acta Crystallogr.,Sect.D, 49, 1993
1GG0
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BU of 1gg0 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF KDOP SYNTHASE AT 3.0 A
Descriptor: 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE SYNTHASE, PHOSPHATE ION
Authors:Wagner, T, Kretsinger, R.H, Bauerle, R, Tolbert, W.D.
Deposit date:2000-08-04
Release date:2000-10-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:3-Deoxy-D-manno-octulosonate-8-phosphate synthase from Escherichia coli. Model of binding of phosphoenolpyruvate and D-arabinose-5-phosphate.
J.Mol.Biol., 301, 2000
1UB8
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BU of 1ub8 by Molmil
Crystal structure of d(GCGAAGC), bending duplex with a bulge-in residue
Descriptor: 5'-D(*GP*CP*GP*AP*AP*GP*C)-3', COBALT HEXAMMINE(III)
Authors:Sunami, T, Kondo, J, Hirao, I, Watanabe, K, Miura, K, Takenaka, A.
Deposit date:2003-03-31
Release date:2004-03-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of d(GCGAAGC) and d(GCGAAAGC) (tetragonal form): a switching of partners of the sheared G.A pairs to form a functional G.AxA.G crossing.
Acta Crystallogr.,Sect.D, 60, 2004
1LMP
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BU of 1lmp by Molmil
THE CRYSTAL STRUCTURES OF THREE COMPLEXES BETWEEN CHITOOLIGOSACCHARIDES AND LYSOZYME FROM THE RAINBOW TROUT
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, LYSOZYME
Authors:Karlsen, S, Hough, E.
Deposit date:1994-10-25
Release date:1996-01-01
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of three complexes between chito-oligosaccharides and lysozyme from the rainbow trout. How distorted is the NAG sugar in site D?
Acta Crystallogr.,Sect.D, 51, 1995
281D
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BU of 281d by Molmil
CRYSTAL STRUCTURE OF THE A-DNA OCTAMER D(GGCATGCC)
Descriptor: DNA (5'-D(*GP*GP*CP*AP*TP*GP*CP*C)-3')
Authors:Nunn, C.M, Neidle, S.
Deposit date:1996-08-23
Release date:1996-09-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structure of the A-DNA octamer d(GGCATGCC).
Acta Crystallogr.,Sect.D, 53, 1997

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