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3SOT
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BU of 3sot by Molmil
Crystal structure of a Multidomain protein including DUF1735 (BACOVA_03322) from Bacteroides ovatus at 2.80 A resolution
Descriptor: 1,2-ETHANEDIOL, Multidomain protein including DUF1735
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2011-06-30
Release date:2011-07-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of a Multidomain protein including DUF1735 (BACOVA_03322) from Bacteroides ovatus at 2.80 A resolution
To be published
3SQ9
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BU of 3sq9 by Molmil
Crystal Structures of the Ligand Binding Domain of a Pentameric Alpha7 Nicotinic Receptor Chimera
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neuronal acetylcholine receptor subunit alpha-7, ...
Authors:Li, S.-X, Huang, S, Bren, N, Noridomi, K, Dellisanti, C, Sine, S, Chen, L.
Deposit date:2011-07-05
Release date:2011-09-28
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Ligand-binding domain of an alpha 7-nicotinic receptor chimera and its complex with agonist.
Nat.Neurosci., 14, 2011
3SRU
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BU of 3sru by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
Descriptor: Dihydrofolate reductase, N-[3'-(2,4-diaminoquinazolin-7-yl)-4'-ethoxybiphenyl-3-yl]methanesulfonamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hilgers, M.
Deposit date:2011-07-07
Release date:2011-08-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
3SS6
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BU of 3ss6 by Molmil
Crystal structure of the Bacillus anthracis acetyl-CoA acetyltransferase
Descriptor: Acetyl-CoA acetyltransferase, POTASSIUM ION, SULFATE ION
Authors:Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Peterson, S.N, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-07-07
Release date:2011-07-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the Bacillus anthracis acetyl-CoA acetyltransferase
TO BE PUBLISHED
3STC
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BU of 3stc by Molmil
Crystal structure of loop 7 truncated mutant of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis
Descriptor: 2-dehydro-3-deoxyphosphooctonate aldolase, CHLORIDE ION, SODIUM ION
Authors:Allison, T.M, Jameson, G.B, Parker, E.J.
Deposit date:2011-07-09
Release date:2011-11-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:An Extended (beta)7(alpha)7 Substrate-Binding Loop Is Essential for Efficient Catalysis by 3-Deoxy-D-manno-Octulosonate 8-Phosphate Synthase
Biochemistry, 50, 2011
3STW
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BU of 3stw by Molmil
Crystal Structure of tomato Methylketone Synthase I complexed with 2-tridecanone
Descriptor: Methylketone synthase 1, tridec-12-en-2-one
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 (2.31 Å)
Cite:Emergent Decarboxylase Activity and Attenuation of alpha/beta-Hydrolase Activity during the Evolution of Methylketone Biosynthesis in Tomato.
Plant Cell, 24, 2012
3SWL
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BU of 3swl by Molmil
Crystal Structure Analysis of H74A Mutant of Human CLIC1
Descriptor: Chloride intracellular channel protein 1
Authors:Fanucchi, S, Achilonu, I.A, Fernandes, M.A, Dirr, H.W.
Deposit date:2011-07-14
Release date:2011-08-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Role of individual histidines in the pH-dependent global stability of human chloride intracellular channel 1.
Biochemistry, 51, 2012
3SWY
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BU of 3swy by Molmil
CNGA3 626-672 containing CLZ domain
Descriptor: Cyclic nucleotide-gated cation channel alpha-3
Authors:Shuart, N.G, Haitin, Y, Camp, S.S, Black, K.D, Zagotta, W.N.
Deposit date:2011-07-14
Release date:2011-09-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular mechanism for 3:1 subunit stoichiometry of rod cyclic nucleotide-gated ion channels.
Nat Commun, 2, 2011
3SX3
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BU of 3sx3 by Molmil
Crystal structure of AABB+UDP+Gal with glycerol as the cryoprotectant
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Histo-blood group ABO system transferase, ...
Authors:Johal, A.R, Evans, S.V.
Deposit date:2011-07-14
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases.
Acta Crystallogr.,Sect.D, 68, 2012
3SX8
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BU of 3sx8 by Molmil
Crystal structure of ABBA+UDP+Gal with MPD as the cryoprotectant
Descriptor: DI(HYDROXYETHYL)ETHER, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
Authors:Johal, A.R, Evans, S.V.
Deposit date:2011-07-14
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases.
Acta Crystallogr.,Sect.D, 68, 2012
3SXE
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BU of 3sxe by Molmil
Crystal structure of AAAA+UDP+Gal with Glycerol as the cryoprotectant
Descriptor: Histo-blood group ABO system transferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ...
Authors:Johal, A.R, Evans, S.V.
Deposit date:2011-07-14
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases.
Acta Crystallogr.,Sect.D, 68, 2012
3SY3
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BU of 3sy3 by Molmil
GBAA_1210 protein, a putative adenylate cyclase, from Bacillus anthracis
Descriptor: GBAA_1210 protein, PHOSPHATE ION
Authors:Osipiuk, J, Gu, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-07-15
Release date:2011-07-27
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:GBAA_1210 protein, a putative adenylate cyclase, from Bacillus anthracis.
To be Published
3SYO
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BU of 3syo by Molmil
Crystal structure of the G protein-gated inward rectifier K+ channel GIRK2 (Kir3.2) in complex with sodium
Descriptor: G protein-activated inward rectifier potassium channel 2, POTASSIUM ION, SODIUM ION
Authors:Whorton, M.R, MacKinnon, R.
Deposit date:2011-07-18
Release date:2011-10-12
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.54 Å)
Cite:Crystal Structure of the Mammalian GIRK2 K(+) Channel and Gating Regulation by G Proteins, PIP(2), and Sodium.
Cell(Cambridge,Mass.), 147, 2011
3SYP
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BU of 3syp by Molmil
Crystal structure of the G protein-gated inward rectifier K+ channel GIRK2 (Kir3.2) R201A mutant
Descriptor: G protein-activated inward rectifier potassium channel 2, POTASSIUM ION
Authors:Whorton, M.R, MacKinnon, R.
Deposit date:2011-07-18
Release date:2011-10-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Crystal Structure of the Mammalian GIRK2 K(+) Channel and Gating Regulation by G Proteins, PIP(2), and Sodium.
Cell(Cambridge,Mass.), 147, 2011
3T00
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BU of 3t00 by Molmil
Crystal Structure of Phosphonoacetate hydrolase from Sinorhizobium meliloti 1021 in complex with vanadate
Descriptor: NICKEL (II) ION, VANADATE ION, ZINC ION, ...
Authors:Agarwal, V, Nair, S.K.
Deposit date:2011-07-19
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and mechanistic insights into C-p bond hydrolysis by phosphonoacetate hydrolase.
Chem.Biol., 18, 2011
3T27
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BU of 3t27 by Molmil
Orthorhombic trypsin (bovine) in the presence of betaine
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Venkat, M, Saxby, C, Cahn, J, Juers, D.
Deposit date:2011-07-22
Release date:2011-12-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 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
3T55
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BU of 3t55 by Molmil
Crystal structure of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS) in complex with Phenoxymethyl Benzoic Acid (PMBA)
Descriptor: 3-(phenoxymethyl)benzoic acid, Indole-3-glycerol phosphate synthase, MALONATE ION, ...
Authors:Reddy, M.C.M, Bruning, J.B, Thurman, C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2011-07-26
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural Insights and Inhibition of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS): an Essential Enzyme for Tryptophan Biosynthesis
To be Published
3S8G
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BU of 3s8g by Molmil
1.8 A structure of ba3 cytochrome c oxidase mutant (A120F) from Thermus thermophilus in lipid environment
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ...
Authors:Tiefenbrunn, T, Liu, W, Chen, Y, Katritch, V, Stout, C.D, Fee, J.A, Cherezov, V.
Deposit date:2011-05-27
Release date:2011-08-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High resolution structure of the ba3 cytochrome c oxidase from Thermus thermophilus in a lipidic environment.
Plos One, 6, 2011
3S9N
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BU of 3s9n by Molmil
Complex between transferrin receptor 1 and transferrin with iron in the N-Lobe, room temperature
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CARBONATE ION, ...
Authors:Eckenroth, B.E, Steere, A.N, Mason, A.B, Everse, S.J.
Deposit date:2011-06-01
Release date:2011-08-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:How the binding of human transferrin primes the transferrin receptor potentiating iron release at endosomal pH.
Proc.Natl.Acad.Sci.USA, 108, 2011
3SAI
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BU of 3sai by Molmil
Bacuills anthracis Dihydrofolate Reductase bound to propargyl-linked TMP analog, UCP1015
Descriptor: 6-ethyl-5-{3-[3-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine, DI(HYDROXYETHYL)ETHER, Dihydrofolate reductase, ...
Authors:Anderson, A.C, Beierlein, J.M.
Deposit date:2011-06-02
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:SAR studies of heterocyclic propargyl-linked TMP analogs targeting Bacillus dihydrofolate reductase
To be Published
3SAO
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BU of 3sao by Molmil
The Siderocalin Ex-FABP functions through dual ligand specificities
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, 2,3-DIHYDROXY-BENZOIC ACID, Extracellular fatty acid-binding protein, ...
Authors:Correnti, C, Strong, R.K, Clifton, M.C.
Deposit date:2011-06-03
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Galline Ex-FABP Is an Antibacterial Siderocalin and a Lysophosphatidic Acid Sensor Functioning through Dual Ligand Specificities.
Structure, 19, 2011
3SGS
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BU of 3sgs by Molmil
Amyloid-related segment of alphaB-crystallin residues 95-100
Descriptor: Alpha-crystallin B chain
Authors:Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
Deposit date:2011-06-15
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:Atomic view of a toxic amyloid small oligomer.
Science, 335, 2012
3SH4
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BU of 3sh4 by Molmil
Laminin G like domain 3 from human perlecan
Descriptor: LG3 peptide
Authors:Van Le, B, Kim, K.K.
Deposit date:2011-06-15
Release date:2011-12-14
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of the LG3 Domain of Endorepellin, an Angiogenesis Inhibitor.
J.Mol.Biol., 414, 2011
3SEE
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BU of 3see by Molmil
Crystal structure of a putative sugar binding protein (BT_4411) from Bacteroides thetaiotaomicron VPI-5482 at 1.25 A resolution
Descriptor: Hypothetical sugar binding protein, SODIUM ION
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2011-06-10
Release date:2011-08-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of a Hypothetical sugar binding protein (BT_4411) from Bacteroides thetaiotaomicron VPI-5482 at 1.25 A resolution
To be published
3SKG
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BU of 3skg by Molmil
Crystal structure of beta-site app-cleaving enzyme 1 (BACE-WT) complex with (2S)-2-((3R)-3-acetamido-3-isobutyl-2-oxo-1-pyrrolidinyl)-N-((1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-2-(1,2,3,4-tetrahydro-3-isoquinolinyl)ethyl)-4-phenylbutanamide
Descriptor: (2S)-2-[(3R)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-{(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-yl}-4-phenylbutanamide, Beta-secretase 1
Authors:Muckelbauer, J.K.
Deposit date:2011-06-22
Release date:2011-09-07
Last modified:2012-12-05
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Synthesis and in vivo evaluation of cyclic diaminopropane BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011

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