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4NSI
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BU of 4nsi by Molmil
Carboplatin binding to HEWL in 20% propanol, 20% PEG 4000 at pH5.6
Descriptor: CITRATE ANION, DIMETHYL SULFOXIDE, Lysozyme C, ...
Authors:Tanley, S.W.M, Diederichs, K, Kroon-Batenburg, L.M.J, Levy, C, Schreurs, A.M.M, Helliwell, J.R.
Deposit date:2013-11-28
Release date:2014-10-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Carboplatin binding to histidine.
Acta Crystallogr F Struct Biol Commun, 70, 2014
4A6X
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BU of 4a6x by Molmil
RadA C-terminal ATPase domain from Pyrococcus furiosus bound to ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA REPAIR AND RECOMBINATION PROTEIN RADA, MAGNESIUM ION
Authors:Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2011-11-10
Release date:2012-11-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.548 Å)
Cite:ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides
FEBS Open Bio, 6, 2016
1LZA
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BU of 1lza by Molmil
DISSECTION OF PROTEIN-CARBOHYDRATE INTERACTIONS IN MUTANT HEN EGG-WHITE LYSOZYME COMPLEXES AND THEIR HYDROLYTIC ACTIVITY
Descriptor: HEN EGG WHITE LYSOZYME
Authors:Maenaka, K, Matsushima, M, Song, H, Watanabe, K, Kumagai, I.
Deposit date:1995-02-10
Release date:1995-05-08
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Dissection of protein-carbohydrate interactions in mutant hen egg-white lysozyme complexes and their hydrolytic activity.
J.Mol.Biol., 247, 1995
5OYF
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BU of 5oyf by Molmil
The crystal structure of CK2alpha in complex with compound 31
Descriptor: 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methyl-phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha
Authors:Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
Deposit date:2017-09-08
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
2X5J
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BU of 2x5j by Molmil
Crystal structure of the Apoform of the D-Erythrose-4-phosphate dehydrogenase from E. coli
Descriptor: D-ERYTHROSE-4-PHOSPHATE DEHYDROGENASE, PHOSPHATE ION
Authors:Moniot, S, Didierjean, C, Boschi-Muller, S, Branlant, G, Corbier, C.
Deposit date:2010-02-09
Release date:2011-02-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Characterization of Erythrose-4- Phosphate Dehydrogenase from Escherichia Coli: Peculiar Features When Compared to Phosphorylating Gapdhs
To be Published
4A25
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BU of 4a25 by Molmil
X-ray structure Dps from Kineococcus radiotolerans in complex with Mn (II) ions.
Descriptor: CHLORIDE ION, FERRITIN DPS FAMILY PROTEIN, MANGANESE (II) ION
Authors:Ilari, A, Fiorillo, A, Ardini, M, Stefanini, S, Chiancone, E.
Deposit date:2011-09-22
Release date:2012-10-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Kineococcus Radiotolerans Dps Forms a Heteronuclear Mn-Fe Ferroxidase Center that May Explain the Mn-Dependent Protection Against Oxidative Stress.
Biochim.Biophys.Acta, 1830, 2013
3SX2
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BU of 3sx2 by Molmil
Crystal structure of a putative 3-ketoacyl-(acyl-carrier-protein) reductase from Mycobacterium paratuberculosis in complex with NAD
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative 3-ketoacyl-(acyl-carrier-protein) reductase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-07-14
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
4NMM
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BU of 4nmm by Molmil
Crystal Structure of a G12C Oncogenic Variant of Human KRas Bound to a Novel GDP Competitive Covalent Inhibitor
Descriptor: 5'-O-[(S)-{[(S)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine, GTPase KRas, MAGNESIUM ION
Authors:Hunter, J.C, Gurbani, D, Lim, S.M, Westover, K.D.
Deposit date:2013-11-15
Release date:2014-06-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:In situ selectivity profiling and crystal structure of SML-8-73-1, an active site inhibitor of oncogenic K-Ras G12C.
Proc.Natl.Acad.Sci.USA, 111, 2014
1M41
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BU of 1m41 by Molmil
Crystal structure of Escherichia coli alkanesulfonate monooxygenase SsuD at 2.3 A resolution
Descriptor: FMNH2-dependent alkanesulfonate monooxygenase
Authors:Eichhorn, E, Davey, C.A, Sargent, D.F, Leisinger, T, Richmond, T.J.
Deposit date:2002-07-02
Release date:2002-12-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Escherichia coli Alkanesulfonate Monooxygenase SsuD
J.mol.biol., 324, 2002
2WU5
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BU of 2wu5 by Molmil
Crystal structure of the E. coli succinate:quinone oxidoreductase (SQR) SdhD His71Met mutant
Descriptor: 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
Authors:Ruprecht, J, Yankovskaya, V, Maklashina, E, Iwata, S, Cecchini, G.
Deposit date:2009-09-29
Release date:2010-08-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.803 Å)
Cite:Crystal Structure of the E. Coli Succinate:Quinone Oxidoreductase (Sqr) Sdhd His71met Mutant
To be Published
4A7D
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BU of 4a7d by Molmil
X-ray crystal structure of HEWL flash-cooled at high pressure
Descriptor: CHLORIDE ION, LYSOZYME C, SODIUM ION
Authors:Burkhardt, A, Warmer, M, Panneerselvam, S, Wagner, A, Reimer, R, Hohenberg, H, Meents, A.
Deposit date:2011-11-14
Release date:2011-11-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.497 Å)
Cite:Fast High-Pressure Freezing of Protein Crystals in Their Mother Liquor
Acta Crystallogr.,Sect.F, 68, 2012
4NZ3
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BU of 4nz3 by Molmil
Structure of Vibrio cholerae chitin de-N-acetylase in complex with DI(N-ACETYL-D-GLUCOSAMINE) (CBS) in P 21 21 21
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Deacetylase DA1, ...
Authors:Albesa-Jove, D, Andres, E, Biarnes, X, Planas, A, Guerin, M.E.
Deposit date:2013-12-11
Release date:2014-08-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.114 Å)
Cite:Structural basis of chitin oligosaccharide deacetylation.
Angew.Chem.Int.Ed.Engl., 53, 2014
2WV2
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BU of 2wv2 by Molmil
X-ray structure of CYP51 from the human pathogen Trypanosoma brucei in complex with fluconazole
Descriptor: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, LANOSTEROL 14-ALPHA-DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Chen, C.-K, Leung, S.S.F, Guilbert, C, Jacobson, M, McKerrow, J.H, Podust, L.M.
Deposit date:2009-10-12
Release date:2009-11-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Characterization of Cyp51 from Trypanosoma Cruzi and Trypanosoma Brucei Bound to the Antifungal Drugs Posaconazole and Fluconazole
Plos Negl Trop Dis, 4, 2010
2BNN
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BU of 2bnn by Molmil
The structure of Hydroxypropylphosphonic acid epoxidase from S. wedmorenis in complex with fosfomycin
Descriptor: EPOXIDASE, FOSFOMYCIN, ZINC ION
Authors:McLuskey, K, Cameron, S, Hunter, W.N.
Deposit date:2005-03-29
Release date:2005-10-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and Reactivity of Hydroxypropylphosphonic Acid Epoxidase in Fosfomycin Biosynthesis by a Cation- and Flavin-Dependent Mechanism.
Proc.Natl.Acad.Sci.USA, 102, 2005
4O1Q
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BU of 4o1q by Molmil
Crystal Structure of the Q103N-MauG/pre-Methylamine Dehydrogenase Complex
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Yukl, E.T, Wilmot, C.W.
Deposit date:2013-12-16
Release date:2014-04-30
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Site-directed mutagenesis of Gln103 reveals the influence of this residue on the redox properties and stability of MauG.
Biochemistry, 53, 2014
4NWU
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BU of 4nwu by Molmil
Crystal structure of APE1551, an anti-human NGF Fab with a nine amino acid insertion in CDR H1
Descriptor: APE1551 Ab Fab heavy chain, APE1551 Ab Fab light chain
Authors:Verdino, P, Stanfield, R.L, Wilson, I.A.
Deposit date:2013-12-06
Release date:2014-10-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Nucleotide insertions and deletions complement point mutations to massively expand the diversity created by somatic hypermutation of antibodies.
J.Biol.Chem., 289, 2014
2WNW
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BU of 2wnw by Molmil
The crystal structure of SrfJ from salmonella typhimurium
Descriptor: ACTIVATED BY TRANSCRIPTION FACTOR SSRB, GLYCEROL, PHOSPHATE ION
Authors:Kim, Y.-G, Kim, J.-H, Kim, K.-J.
Deposit date:2009-07-20
Release date:2010-03-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Salmonella Enterica Serovar Typhimurium Virulence Factor Srfj, a Glycoside Hydrolase Family Enzyme.
J.Bacteriol., 191, 2009
2X8H
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BU of 2x8h by Molmil
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with GSH
Descriptor: BETA-MERCAPTOETHANOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Angelucci, F, Dimastrogiovanni, D, Boumis, G, Brunori, M, Miele, A.E, Saccoccia, F, Bellelli, A.
Deposit date:2010-03-09
Release date:2010-07-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mapping the Catalytic Cycle of Schistosoma Mansoni Thioredoxin Glutathione Reductase by X-Ray Crystallography
J.Biol.Chem., 285, 2010
4AIE
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BU of 4aie by Molmil
Structure of glucan-1,6-alpha-glucosidase from Lactobacillus acidophilus NCFM
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLUCAN 1,6-ALPHA-GLUCOSIDASE, ...
Authors:Fredslund, F, Navarro Poulsen, J.C, Lo Leggio, L.
Deposit date:2012-02-09
Release date:2012-08-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Enzymology and Structure of the Gh13_31 Glucan 1,6-Alpha-Glucosidase that Confers Isomaltooligosaccharide Utilization in the Probiotic Lactobacillus Acidophilus Ncfm.
J.Bacteriol., 194, 2012
1MFZ
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BU of 1mfz by Molmil
Partially refined 2.8 A Crystal structure of GDP-mannose dehydrogenase from P. aeruginosa
Descriptor: GDP-mannose 6-dehydrogenase, GUANOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), P'-D-MANNOPYRANOSYL ESTER
Authors:Snook, C.F, Tipton, P.A, Beamer, L.J.
Deposit date:2002-08-14
Release date:2003-05-06
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The crystal structure of GDP-mannose dehydrogenase: A key enzyme in alginate biosynthesis of P. aeruginosa
Biochemistry, 42, 2003
4NEW
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BU of 4new by Molmil
Crystal structure of Trypanothione Reductase from Trypanosoma cruzi in complex with inhibitor EP127 (5-{5-[1-(PYRROLIDIN-1-YL)CYCLOHEXYL]-1,3-THIAZOL-2-YL}-1H-INDOLE)
Descriptor: 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, Trypanothione reductase, ...
Authors:Persch, E, Bryson, S, Pai, E.F, Krauth-Siegel, R.L, Diederich, F.
Deposit date:2013-10-30
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding to large enzyme pockets: small-molecule inhibitors of trypanothione reductase.
Chemmedchem, 9, 2014
3SOI
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BU of 3soi by Molmil
Crystallographic structure of Bacillus licheniformis beta-lactamase W210F/W229F/W251F at 1.73 angstrom resolution
Descriptor: Beta-lactamase, CITRIC ACID
Authors:Acierno, J.P, Capaldi, S, Risso, V.A, Monaco, H.L, Ermacora, M.R.
Deposit date:2011-06-30
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.729 Å)
Cite:X-ray evidence of a native state with increased compactness populated by tryptophan-less B. licheniformis beta-lactamase.
Protein Sci., 21, 2012
2WPE
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BU of 2wpe by Molmil
Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00073359)
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
Authors:Alphey, M.S, Patterson, S, Fairlamb, A.H.
Deposit date:2009-08-06
Release date:2010-10-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography.
J.Med.Chem., 54, 2011
4NG1
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BU of 4ng1 by Molmil
Previously de-ionized HEW lysozyme batch crystallized in 1.9 M CsCl
Descriptor: CESIUM ION, CHLORIDE ION, Lysozyme C
Authors:Benas, P, Legrand, L, Ries-Kautt, M.
Deposit date:2013-11-01
Release date:2014-05-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry.
Acta Crystallogr.,Sect.D, 70, 2014
2WSK
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BU of 2wsk by Molmil
Crystal structure of Glycogen Debranching Enzyme GlgX from Escherichia coli K-12
Descriptor: GLYCOGEN DEBRANCHING ENZYME, SULFATE ION
Authors:Song, H.-N, Park, J.-T, Jung, T.-Y, Park, K.-H, Woo, E.-J.
Deposit date:2009-09-08
Release date:2010-09-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Rationale for the Short Branched Substrate Specificity of the Glycogen Debranching Enzyme Glgx.
Proteins, 78, 2010

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