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3T0Q
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BU of 3t0q by Molmil
Motor Domain Structure of the Kar3-like kinesin from Ashbya gossypii
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, AGR253Wp, ...
Authors:Duan, D, Hnatchuk, D.J, Brenner, J, Davis, D, Allingham, J.S.
Deposit date:2011-07-20
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of the Kar3-like kinesin motor domain from the filamentous fungus Ashbya gossypii.
Proteins, 80, 2012
3SOO
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BU of 3soo by Molmil
Crystal structure of a LINE-1 type transposase domain-containing protein 1 (L1TD1) from HOMO SAPIENS at 2.73 A resolution
Descriptor: CHLORIDE ION, LINE-1 type transposase domain-containing protein 1, SULFATE ION
Authors:Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL)
Deposit date:2011-06-30
Release date:2011-07-20
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Crystal structure of a LINE-1 type transposase domain-containing protein 1 (L1TD1) from HOMO SAPIENS at 2.73 A resolution
To be published
3T11
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BU of 3t11 by Molmil
Dimeric inhibitor of HIV-1 protease.
Descriptor: (3S,11S)-11-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Brynda, J, Rezacova, P, Saskova, G.K, Kozisek, M, Konvalinka, J.
Deposit date:2011-07-21
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Dimeric inhibitor of HIV-1 protease.
To be Published
3SPT
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BU of 3spt by Molmil
Crystal structure of GlmU from Mycobacterium tuberculosis in complex with ACETYL COENZYME A and URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
Descriptor: ACETYL COENZYME *A, Bifunctional protein glmU, MAGNESIUM ION, ...
Authors:Jagtap, P.A, Prakash, B.
Deposit date:2011-07-03
Release date:2012-08-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure of Mycobacterium tuberculosis GlmU in complex with Acetyl CoA
to be published
3SRV
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BU of 3srv by Molmil
Crystal structure of spleen tyrosine kinase (SYK) in complex with a diaminopyrimidine carboxamide inhibitor
Descriptor: 2-{[(3R,4R)-3-aminotetrahydro-2H-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]pyrimidine-5-carboxamide, GLYCEROL, Tyrosine-protein kinase SYK
Authors:Somers, D.O, Neu, M.
Deposit date:2011-07-07
Release date:2011-09-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg.Med.Chem.Lett., 21, 2011
3SS7
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BU of 3ss7 by Molmil
Crystal structure of holo D-serine dehydratase from Escherichia coli at 1.55 A resolution
Descriptor: D-serine dehydratase, GLYCEROL, POTASSIUM ION, ...
Authors:Urusova, D.V, Isupov, M.N, Antonyuk, S.V, Kachalova, G.S, Vagin, A.A, Lebedev, A.A, Bourenkov, G.P, Dauter, Z, Bartunik, H.D, Melik-Adamyan, W.R, Mueller, T.D, Schnackerz, K.D.
Deposit date:2011-07-07
Release date:2012-01-18
Last modified:2012-02-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of D-serine dehydratase from Escherichia coli.
Biochim.Biophys.Acta, 1824, 2011
3SSE
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BU of 3sse by Molmil
DNA binding domain of restriction endonuclease bound to DNA
Descriptor: 5-methylcytosine-specific restriction enzyme B, DNA (5'-D(*A*GP*CP*TP*AP*CP*CP*GP*GP*TP*CP*TP*C)-3'), DNA (5'-D(*T*GP*AP*GP*AP*CP*CP*GP*GP*TP*AP*GP*C)-3')
Authors:Sukackaite, R, Grazulis, S, Siksnys, V.
Deposit date:2011-07-08
Release date:2012-05-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The recognition domain of the methyl-specific endonuclease McrBC flips out 5-methylcytosine.
Nucleic Acids Res., 40, 2012
3SSL
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BU of 3ssl by Molmil
Engineered high-affinity halide-binding protein derived from YFP: iodide complex
Descriptor: Green fluorescent protein, IODIDE ION
Authors:Wang, W, Grimley, J.S, Beese, L.S, Hellinga, H.W.
Deposit date:2011-07-08
Release date:2012-07-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.449 Å)
Cite:Determination of engineered chloride-binding site structures in fluorescent proteins reveals principles of halide recognition
To be published
3SSY
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BU of 3ssy by Molmil
Engineered low-affinity halide-binding protein derived from YFP: iodide complex
Descriptor: Green fluorescent protein, IODIDE ION
Authors:Wang, W, Grimley, J.S, Beese, L.S, Hellinga, H.W.
Deposit date:2011-07-08
Release date:2012-07-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.769 Å)
Cite:Determination of engineered chloride-binding site structures in fluorescent proteins reveals principles of halide recognition
To be Published
3STM
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BU of 3stm by Molmil
Structure of human LFABP in complex with one molecule of palmitic acid
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Sharma, A, Sharma, A.
Deposit date:2011-07-11
Release date:2011-08-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.216 Å)
Cite:Fatty acid induced remodeling within the Human liver fatty acid binding protein
J.Biol.Chem., 2011
3STV
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BU of 3stv by Molmil
Crystal Structure of tomato Methylketone Synthase I complexed with 3-hydroxyoctanoate
Descriptor: (3S)-3-hydroxyoctanoic acid, BROMIDE ION, Methylketone synthase 1
Authors:Auldridge, M.E, Austin, M.B, Noel, J.P.
Deposit date:2011-07-11
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Emergent Decarboxylase Activity and Attenuation of alpha/beta-Hydrolase Activity during the Evolution of Methylketone Biosynthesis in Tomato.
Plant Cell, 24, 2012
3SV9
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BU of 3sv9 by Molmil
Crystal structure of NS3/4A protease variant A156T in complex with Telaprevir
Descriptor: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, GLYCEROL, NS3 protease, ...
Authors:Schiffer, C.A, Romano, K.P.
Deposit date:2011-07-12
Release date:2012-09-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012
3T8A
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BU of 3t8a by Molmil
Crystal structure of Mycobacterium tuberculosis MenB in complex with substrate analogue, OSB-NCoA
Descriptor: 1,4-Dihydroxy-2-naphthoyl-CoA synthase, o-succinylbenzoyl-N-coenzyme A
Authors:Li, H.-J, Li, X, Liu, N, Zhang, H, Truglio, J, Mishra, S, Kisker, C, Garcia-Diaz, M, Tonge, P.
Deposit date:2011-08-01
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.245 Å)
Cite:Mechanism of the Intramolecular Claisen Condensation Reaction Catalyzed by MenB, a Crotonase Superfamily Member.
Biochemistry, 50, 2011
3SOW
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BU of 3sow by Molmil
Structure of UHRF1 PHD finger in complex with histone H3K4me3 1-9 peptide
Descriptor: E3 ubiquitin-protein ligase UHRF1, Histone H3, ZINC ION
Authors:Rajakumara, E, Patel, D.J.
Deposit date:2011-06-30
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9501 Å)
Cite:PHD Finger Recognition of Unmodified Histone H3R2 Links UHRF1 to Regulation of Euchromatic Gene Expression.
Mol.Cell, 43, 2011
3SY0
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BU of 3sy0 by Molmil
S25-2- A(2-8)-A(2-4)KDO trisaccharide complex
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-8)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, MAGNESIUM ION, S25-2 FAB (IGG1K) heavy chain, ...
Authors:Nguyen, H.P, Seto, N.O, Mackenzie, C.R, Brade, L, Kosma, P, Brade, H, Evans, S.V.
Deposit date:2011-07-15
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.489 Å)
Cite:Germline antibody recognition of distinct carbohydrate epitopes
NAT.STRUCT.BIOL., 10, 2003
3SYK
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BU of 3syk by Molmil
Crystal structure of the AAA+ protein CbbX, selenomethionine structure
Descriptor: Protein CbbX, SULFATE ION
Authors:Mueller-Cajar, O, Stotz, M, Wendler, P, Hartl, F.U, Bracher, A, Hayer-Hartl, M.
Deposit date:2011-07-18
Release date:2011-11-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Structure and function of the AAA+ protein CbbX, a red-type Rubisco activase.
Nature, 479, 2011
3SP5
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BU of 3sp5 by Molmil
Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer Cotylenol
Descriptor: 14-3-3 protein sigma, Cotylenol, MAGNESIUM ION, ...
Authors:Anders, C, Schumacher, B, Ottmann, C.
Deposit date:2011-07-01
Release date:2016-05-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface.
Chem.Biol., 20, 2013
3SPF
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BU of 3spf by Molmil
Crystal Structure of Bcl-xL bound to BM501
Descriptor: 4-(4-chlorophenyl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1H-pyrrole-2-carboxamide, Bcl-2-like protein 1, GLYCEROL
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2011-07-01
Release date:2012-06-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of Bcl-2 and Bcl-xL Inhibitors with Subnanomolar Binding Affinities Based upon a New Scaffold.
J.Med.Chem., 55, 2012
3SPR
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BU of 3spr by Molmil
Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer FC-THF
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Fusicoccin A-THF, ...
Authors:Anders, C, Schumacher, B, Ottmann, C.
Deposit date:2011-07-03
Release date:2012-07-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface.
Chem. Biol., 20, 2013
3T0P
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BU of 3t0p by Molmil
Crystal structure of a Putative DNA polymerase III beta subunit (EUBREC_0002; ERE_29750) from Eubacterium rectale ATCC 33656 at 2.26 A resolution
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2011-07-20
Release date:2011-08-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structure of a Putative DNA polymerase III beta subunit (EUBREC_0002; ERE_29750) from Eubacterium rectale ATCC 33656 at 2.26 A resolution
To be published
3T1D
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BU of 3t1d by Molmil
The mutant structure of human Siderocalin W79A, R81A, Y106F bound to Enterobactin
Descriptor: 2,3-DIHYDROXY-BENZOIC ACID, 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-07-21
Release date:2011-08-17
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Parsing the functional specificity of Siderocalin/Lipocalin 2/NGAL for siderophores and related small-molecule ligands.
J Struct Biol X, 2, 2019
3T1U
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BU of 3t1u by Molmil
Crystal Structure of the complex of Cyclophilin-A enzyme from Azotobacter vinelandii with sucAFPFpNA peptide
Descriptor: Peptidyl-prolyl cis-trans isomerase, succinyl-Ala-Phe-Pro-Phe-p-nitroanilide
Authors:Karpusas, M, Christoforides, E, Bethanis, K, Dimou, M, Katinakis, P.
Deposit date:2011-07-22
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a bacterial cytoplasmic cyclophilin A in complex with a tetrapeptide.
Acta Crystallogr.,Sect.F, 68, 2012
3T26
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BU of 3t26 by Molmil
Orthorhombic trypsin (bovine) in the presence of sarcosine
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Cahn, J, Venkat, M, Marshall, H, Juers, D.
Deposit date:2011-07-22
Release date:2011-12-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
3T36
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BU of 3t36 by Molmil
Crystal structure of lytic transglycosylase MltE from Eschericha coli
Descriptor: Endo-type membrane-bound lytic murein transglycosylase A, SULFATE ION
Authors:Fibriansah, G, Gliubich, F.I, Thunnissen, A.-M.W.H.
Deposit date:2011-07-24
Release date:2012-07-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:On the Mechanism of Peptidoglycan Binding and Cleavage by the endo-Specific Lytic Transglycosylase MltE from Escherichia coli.
Biochemistry, 51, 2012
3TEJ
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BU of 3tej by Molmil
Crystal structure of a domain fragment involved in peptide natural product biosynthesis
Descriptor: Enterobactin synthase component F
Authors:Liu, Y, Zheng, T, Bruner, S.D.
Deposit date:2011-08-15
Release date:2012-01-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for phosphopantetheinyl carrier domain interactions in the terminal module of nonribosomal peptide synthetases.
Chem.Biol., 18, 2011

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