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3FJX
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BU of 3fjx by Molmil
E. coli EPSP synthase (T97I) liganded with S3P
Descriptor: 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, SHIKIMATE-3-PHOSPHATE
Authors:Schonbrunn, E.
Deposit date:2008-12-15
Release date:2009-02-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis of Glyphosate Resistance Resulting from the Double Mutation Thr97 -> Ile and Pro101 -> Ser in 5-Enolpyruvylshikimate-3-phosphate Synthase from Escherichia coli.
J.Biol.Chem., 284, 2009
4EGU
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BU of 4egu by Molmil
0.95A Resolution Structure of a Histidine Triad Protein from Clostridium difficile
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, POTASSIUM ION, ZINC ION, ...
Authors:Anderson, S.M, Wawrzak, Z, Kudritska, M, Peterson, S.N, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-04-01
Release date:2012-04-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:0.95A Resolution Structure of a Histidine Triad Protein from Clostridium difficile
To be Published
3FHC
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BU of 3fhc by Molmil
Crystal structure of human Dbp5 in complex with Nup214
Descriptor: ATP-dependent RNA helicase DDX19B, Nuclear pore complex protein Nup214
Authors:von Moeller, H, Conti, E.
Deposit date:2008-12-09
Release date:2009-02-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The mRNA export protein DBP5 binds RNA and the cytoplasmic nucleoporin NUP214 in a mutually exclusive manner
Nat.Struct.Mol.Biol., 16, 2009
3M6B
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BU of 3m6b by Molmil
Crystal Structure of the Ertapenem Pre-isomerized Covalent Adduct with TB B-lactamase
Descriptor: (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Tremblay, L.W, Fan, F, Blanchard, J.S.
Deposit date:2010-03-15
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Biochemical and structural characterization of Mycobacterium tuberculosis beta-lactamase with the carbapenems ertapenem and doripenem.
Biochemistry, 49, 2010
3FJZ
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BU of 3fjz by Molmil
E. coli EPSP synthase (T97I) liganded with S3P and glyphosate
Descriptor: 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, N-(phosphonomethyl)glycine, ...
Authors:Schonbrunn, E.
Deposit date:2008-12-15
Release date:2009-02-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis of Glyphosate Resistance Resulting from the Double Mutation Thr97 -> Ile and Pro101 -> Ser in 5-Enolpyruvylshikimate-3-phosphate Synthase from Escherichia coli.
J.Biol.Chem., 284, 2009
3FL9
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BU of 3fl9 by Molmil
Crystal structure of B. anthracis dihydrofolate reductase (DHFR) with trimethoprim
Descriptor: CALCIUM ION, TRIMETHOPRIM, dihydrofolate reductase (DHFR)
Authors:Bourne, C.R, Barrow, W.W.
Deposit date:2008-12-18
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of Bacillus anthracis dihydrofolate reductase with the dihydrophthalazine-based trimethoprim derivative RAB1 provides a structural explanation of potency and selectivity.
Antimicrob.Agents Chemother., 53, 2009
3F4T
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BU of 3f4t by Molmil
Crystal structure of Wolbachia pipientis alpha-DsbA1 C97A/C146A
Descriptor: PENTAETHYLENE GLYCOL, Putative uncharacterized protein, TRIETHYLENE GLYCOL
Authors:Kurz, M, Heras, B, Martin, J.L.
Deposit date:2008-11-02
Release date:2009-03-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and Functional Characterization of the Oxidoreductase alpha-DsbA1 from Wolbachia pipientis
ANTIOXID.REDOX SIGNAL., 11, 2009
4EYG
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BU of 4eyg by Molmil
Crystal structure of solute binding protein of ABC transporter from Rhodopseudomonas palustris BisB5 in complex with vanillic acid
Descriptor: 1,2-ETHANEDIOL, 4-HYDROXY-3-METHOXYBENZOATE, ISOPROPYL ALCOHOL, ...
Authors:Chang, C, Mack, J, Zerbs, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-05-01
Release date:2012-05-30
Last modified:2012-10-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Characterization of transport proteins for aromatic compounds derived from lignin: benzoate derivative binding proteins.
J.Mol.Biol., 423, 2012
4EO8
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BU of 4eo8 by Molmil
HCV NS5B polymerase inhibitors: Tri-substituted acylhydrazines as tertiary amide bioisosteres
Descriptor: 5-(3,3-dimethylbut-1-yn-1-yl)-3-{2,2-dimethyl-1-[(trans-4-methylcyclohexyl)carbonyl]hydrazinyl}thiophene-2-carboxylic acid, RNA-directed RNA polymerase
Authors:Appleby, T.C, Canales, E, Watkins, W.J.
Deposit date:2012-04-13
Release date:2012-06-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Tri-substituted acylhydrazines as tertiary amide bioisosteres: HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
6ZPP
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BU of 6zpp by Molmil
g7941: a virulence factor from Drechmaria coniospora
Descriptor: CHLORIDE ION, virulence factor
Authors:Leone, P, Roussel, A, Zimberger, C.
Deposit date:2020-07-09
Release date:2022-01-19
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of a virulence factor from Drechmaria coniospora, a C. elegans pathogen
To Be Published
3M12
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BU of 3m12 by Molmil
Crystal Structure of the Lys265Arg phosphate-crytsallized mutant of monomeric sarcosine oxidase
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Monomeric Sarcosine Oxidase
Authors:Mathews, F.S, Chen, Z.-W, Jorns, M.S.
Deposit date:2010-03-04
Release date:2010-04-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural characterization of mutations at the oxygen activation site in monomeric sarcosine oxidase.
Biochemistry, 49, 2010
3M20
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BU of 3m20 by Molmil
Crystal structure of DmpI from Archaeoglobus fulgidus determined to 2.37 Angstroms resolution
Descriptor: 4-oxalocrotonate tautomerase, putative
Authors:Hackert, M.L, Whitman, C.P, Almrud, J.J, Dasgupta, R, Kern, A.D.
Deposit date:2010-03-06
Release date:2010-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Kinetic and structural characterization of DmpI from Helicobacter pylori and Archaeoglobus fulgidus, two 4-oxalocrotonate tautomerase family members.
Bioorg.Chem., 38, 2010
3F6J
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BU of 3f6j by Molmil
F17a-G lectin domain with bound GlcNAc(beta1-3)Gal
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-methyl beta-D-galactopyranoside, F17a-G
Authors:Buts, L, de Boer, A, Olsson, J.D.M, Jonckheere, W, De Kerpel, M, De Genst, E, Guerardel, Y, Willaert, R, Wyns, L, Wuhrer, M, Oscarson, S, De Greve, H, Bouckaert, J.
Deposit date:2008-11-06
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Sampling of Glycan Interaction Profiles Reveals Mucosal Receptors for Fimbrial Adhesins of Enterotoxigenic Escherichia coli
Biology, 2, 2013
6ZX1
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BU of 6zx1 by Molmil
OMPD-domain of human UMPS in complex with 6-Aza-UMP at 1.0 Angstroms resolution
Descriptor: 6-AZA URIDINE 5'-MONOPHOSPHATE, PROLINE, SULFATE ION, ...
Authors:Tittmann, K, Rindfleisch, S, Krull, M.
Deposit date:2020-07-29
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
6ZX3
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BU of 6zx3 by Molmil
OMPD-domain of human UMPS in complex with 6-thiocarboxamido-UMP at 1.15 Angstroms resolution
Descriptor: GLYCEROL, PROLINE, SULFATE ION, ...
Authors:Tittmann, K, Rindfleisch, S, Schimdt, T.
Deposit date:2020-07-29
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
6ZX0
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BU of 6zx0 by Molmil
OMPD-domain of human UMPS in complex with the substrate OMP at 1.25 Angstroms resolution
Descriptor: GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ...
Authors:Tittmann, K, Rindfleisch, S, Krull, M.
Deposit date:2020-07-29
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
3MEL
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BU of 3mel by Molmil
Crystal Structure of Thiamin pyrophosphokinase family protein from Enterococcus faecalis, Northeast Structural Genomics Consortium Target EfR150
Descriptor: MAGNESIUM ION, PHOSPHATE ION, THIAMINE DIPHOSPHATE, ...
Authors:Kuzin, A, Abasidze, M, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Foote, E.L, Maglaqui, M, Zhao, L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-03-31
Release date:2010-05-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.788 Å)
Cite:Northeast Structural Genomics Consortium Target EfR150
To be Published
7A4Q
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BU of 7a4q by Molmil
The Crystal structure of RO4613269 bound to CK2alpha
Descriptor: 2-methoxyimino-5-(quinolin-6-ylmethyl)-1,3-thiazol-4-one, Casein kinase II subunit alpha
Authors:Brear, P, Hyvonen, M.
Deposit date:2020-08-20
Release date:2022-06-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors.
Nat.Chem.Biol., 2023
4FBA
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BU of 4fba by Molmil
Structure of mutant RIP from barley seeds in complex with adenine
Descriptor: ADENINE, Protein synthesis inhibitor I
Authors:Lee, B.-G, Kim, M.K, Suh, S.W, Song, H.K.
Deposit date:2012-05-22
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structures of the ribosome-inactivating protein from barley seeds reveal a unique activation mechanism.
Acta Crystallogr.,Sect.D, 68, 2012
3FIG
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BU of 3fig by Molmil
Crystal Structure of Leucine-bound LeuA from Mycobacterium tuberculosis
Descriptor: 2-isopropylmalate synthase, GLYCEROL, LEUCINE, ...
Authors:Koon, N, Squire, C.J, Baker, E.N.
Deposit date:2008-12-11
Release date:2008-12-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of LeuA from Mycobacterium tuberculosis, a key enzyme in leucine biosynthesis.
Proc.Natl.Acad.Sci.USA, 101, 2004
4EYV
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BU of 4eyv by Molmil
Crystal structure of Cyclophilin A like protein from Piriformospora indica
Descriptor: PHOSPHATE ION, POTASSIUM ION, Peptidyl-prolyl cis-trans isomerase, ...
Authors:Bhatt, H, Pal, R.K, Tuteja, N, Bhavesh, N.S.
Deposit date:2012-05-02
Release date:2013-05-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure of RNA-interacting Cyclophilin A-like protein from Piriformospora indica that provides salinity-stress tolerance in plants
Sci Rep, 3, 2013
3FFO
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BU of 3ffo by Molmil
F17b-G lectin domain with bound GlcNAc(beta1-2)man
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose, Adhesin, ...
Authors:Buts, L, De Boer, A, Olsson, J.D.M, Jonckheere, W, De Kerpel, M, De Genst, E, Guerardel, Y, Willaert, R, Wyns, L, Wuhrer, M, Oscarson, S, De Greve, H, Bouckaert, J.
Deposit date:2008-12-04
Release date:2009-12-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Sampling of Glycan Interaction Profiles Reveals Mucosal Receptors for Fimbrial Adhesins of Enterotoxigenic Escherichia coli.
Biology (Basel), 2, 2013
4EYQ
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BU of 4eyq by Molmil
Crystal structure of solute binding protein of ABC transporter from Rhodopseudomonas palustris HaA2 in complex with caffeic acid/3-(4-HYDROXY-PHENYL)PYRUVIC ACID
Descriptor: 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, CAFFEIC ACID, Extracellular ligand-binding receptor
Authors:Chang, C, Mack, J, Zerbs, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-05-01
Release date:2012-05-30
Last modified:2013-09-25
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural and functional characterization of solute binding proteins for aromatic compounds derived from lignin: p-Coumaric acid and related aromatic acids.
Proteins, 81, 2013
3FHJ
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BU of 3fhj by Molmil
Independent saturation of three TrpRS subsites generates a partially-assembled state similar to those observed in molecular simulations
Descriptor: ADENOSINE MONOPHOSPHATE, PHOSPHATE ION, TRYPTOPHAN, ...
Authors:Laowanapiban, P, Kapustina, M, Vonrhein, C, Delarue, M, Koehl, P, Carter Jr, C.W.
Deposit date:2008-12-09
Release date:2009-02-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Independent saturation of three TrpRS subsites generates a partially assembled state similar to those observed in molecular simulations.
Proc.Natl.Acad.Sci.Usa, 106, 2009
3NO8
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BU of 3no8 by Molmil
Crystal structure of the PHR domain from human BTBD2 Protein
Descriptor: BTB/POZ domain-containing protein 2, GLYCEROL, SULFATE ION
Authors:Sampathkumar, P, Miller, S, Rutter, M, Bain, K, Gheyi, T, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-06-24
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the PHR domain from human BTBD2 Protein
To be Published

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