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3S9L
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BU of 3s9l by Molmil
Complex between transferrin receptor 1 and transferrin with iron in the N-Lobe, cryocooled 2
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:2024-10-30
Method:X-RAY DIFFRACTION (3.22 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
3SMM
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BU of 3smm by Molmil
Crystal structure of human 14-3-3 sigma C38N/N166H in complex with task-3 peptide and stabilizer Fusicoccin J aglycone
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Fusicoccin J aglycone, ...
Authors:Anders, C, Schumacher, B, Ottmann, C.
Deposit date:2011-06-28
Release date:2012-07-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 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
3SN4
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BU of 3sn4 by Molmil
Crystal structure of putative L-alanine-DL-glutamate epimerase from Burkholderia xenovorans strain LB400 bound to magnesium and alpha-ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Bonanno, J.B, Patskovsky, Y, Toro, R, Dickey, M, Bain, K.T, Wu, B, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2011-06-28
Release date:2011-07-27
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of putative L-alanine-DL-glutamate epimerase from Burkholderia xenovorans strain LB400 bound to magnesium and alpha-ketoglutarate
To be Published
3SB4
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BU of 3sb4 by Molmil
Crystal structure of a leucine-rich repeat protein (BT_1240) from Bacteroides thetaiotaomicron VPI-5482 at 1.99 A resolution
Descriptor: GLYCEROL, Hypothetical leucine rich repeat protein, TETRAETHYLENE GLYCOL
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2011-06-03
Release date:2011-06-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal structure of a Hypothetical leucine rich repeat protein (BT_1240) from Bacteroides thetaiotaomicron VPI-5482 at 1.99 A resolution
To be published
3SEI
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BU of 3sei by Molmil
Crystal Structure of Caskin1 Tandem SAMs
Descriptor: CHLORIDE ION, Caskin-1, SULFATE ION
Authors:Stafford, R.L, Bowie, J.U.
Deposit date:2011-06-10
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Tandem SAM domain structure of human Caskin1: a presynaptic, self-assembling scaffold for CASK.
Structure, 19, 2011
3SDC
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BU of 3sdc by Molmil
Crystal structure of autoreactive-Valpha14-Vbeta6 NKT TCR in complex with CD1d-globotrihexosylceramide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
Authors:Clarke, A.J, Rossjohn, J.
Deposit date:2011-06-09
Release date:2011-10-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Recognition of beta-linked self glycolipids mediated by natural killer T cell antigen receptors
Nat.Immunol., 12, 2011
3SGY
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BU of 3sgy by Molmil
Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ETHYL-5-[(3S)-3-[3-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1006)
Descriptor: 6-ethyl-5-{(3S)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Frey, K.M, Anderson, A.C.
Deposit date:2011-06-15
Release date:2012-03-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.598 Å)
Cite:Toward New Therapeutics for Skin and Soft Tissue Infections: Propargyl-Linked Antifolates Are Potent Inhibitors of MRSA and Streptococcus pyogenes.
Plos One, 7, 2012
3SEO
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BU of 3seo by Molmil
Crystal structure of VopL C terminal domain
Descriptor: CHLORIDE ION, VopL C terminal domain protein
Authors:Yu, B, Rosen, M.K, Tomchick, D.R.
Deposit date:2011-06-10
Release date:2011-08-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.305 Å)
Cite:Mechanism of actin filament nucleation by the bacterial effector VopL.
Nat.Struct.Mol.Biol., 18, 2011
3SHT
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BU of 3sht by Molmil
Crystal structure of human MCPH1 tandem BRCT domains
Descriptor: Microcephalin
Authors:Shao, Z.H, Li, F.D, Yan, W.
Deposit date:2011-06-17
Release date:2011-12-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Specific recognition of phosphorylated tail of H2AX by the tandem BRCT domains of MCPH1 revealed by complex structure
J.Struct.Biol., 177, 2012
3SIJ
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BU of 3sij by Molmil
The X-ray crystal structure of poly(ADP-ribose) glycohydrolase E115A mutant from Thermomonospora curvata
Descriptor: poly(ADP-ribose) glycohydrolase
Authors:Dunstan, M.S, Leys, D.
Deposit date:2011-06-18
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structure and catalytic mechanism of a poly(ADP-ribose) glycohydrolase.
Nature, 477, 2011
3SGP
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BU of 3sgp by Molmil
Amyloid-related segment of alphaB-crystallin residues 90-100 mutant V91L
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 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:2023-09-13
Method:X-RAY DIFFRACTION (1.4016 Å)
Cite:Atomic view of a toxic amyloid small oligomer.
Science, 335, 2012
3SKF
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BU of 3skf by Molmil
Crystal structure of beta-site app-cleaving enzyme 1 (BACE-WT) complex with (2S)-2-((3S)-3-(acetylamino)-3-(butan-2-yl)-2-oxopyrrolidin-1-yl)-N-((2S,3R)-3-hydroxy-4-((3-methoxybenzyl)amino)-1-phenylbutan-2-yl)-4-phenylbutanamide
Descriptor: (2S)-2-{(3S)-3-(acetylamino)-3-[(2S)-butan-2-yl]-2-oxopyrrolidin-1-yl}-N-{(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl}-4-phenylbutanamide, Beta-secretase 1, IODIDE ION
Authors:Muckelbauer, J.K.
Deposit date:2011-06-22
Release date:2011-08-31
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Synthesis and in vivo evaluation of cyclic diaminopropane BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3SKD
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BU of 3skd by Molmil
Crystal structure of the Thermus thermophilus cas3 HD domain in the presence of Ni2+
Descriptor: NICKEL (II) ION, Putative uncharacterized protein TTHB187
Authors:Bailey, S, Mulepati, S.
Deposit date:2011-06-22
Release date:2011-07-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Biochemical Analysis of Nuclease Domain of Clustered Regularly Interspaced Short Palindromic Repeat (CRISPR)-associated Protein 3 (Cas3).
J.Biol.Chem., 286, 2011
3SO4
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BU of 3so4 by Molmil
Methionine-adenosyltransferase from Entamoeba histolytica
Descriptor: ACETATE ION, Methionine-adenosyltransferase
Authors:Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2011-06-29
Release date:2011-07-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Methionine-adenosyltransferase from Entamoeba histolytica
To be Published
3SLJ
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BU of 3slj by Molmil
Pre-cleavage Structure of the Autotransporter EspP - N1023A mutant
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Serine protease espP
Authors:Barnard, T.B, Noinaj, N, Easley, N.C, Kuszak, A.J, Buchanan, S.K.
Deposit date:2011-06-24
Release date:2011-11-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.481 Å)
Cite:Molecular basis for the activation of a catalytic asparagine residue in a self-cleaving bacterial autotransporter.
J.Mol.Biol., 415, 2012
3SMK
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BU of 3smk by Molmil
Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer Cotylenin A
Descriptor: 14-3-3 protein sigma, Cotylenin A, MAGNESIUM ION, ...
Authors:Anders, C, Schumacher, B, Ottmann, C.
Deposit date:2011-06-28
Release date:2012-07-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 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
3SMN
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BU of 3smn by Molmil
Crystal structure of human 14-3-3 sigma C38N/N166H in complex with task-3 peptide and stabilizer Fusicoccin A-THF
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:Anders, C, Schumacher, B, Ottmann, C.
Deposit date:2011-06-28
Release date:2012-07-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 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
3SRY
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BU of 3sry by Molmil
Engineered high-affinity halide-binding protein derived from YFP: halide-free
Descriptor: Green fluorescent protein
Authors:Wang, W, Grimley, J.S, Beese, L.S, Hellinga, H.W.
Deposit date:2011-07-07
Release date:2012-07-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.159 Å)
Cite:Determination of engineered chloride-binding site structures in fluorescent proteins reveals principles of halide recognition
To be Published
3SS9
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BU of 3ss9 by Molmil
Crystal structure of holo D-serine dehydratase from Escherichia coli at 1.97 A resolution
Descriptor: D-serine dehydratase, POTASSIUM ION, PYRIDOXAL-5'-PHOSPHATE
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:2011-07-08
Release date:2012-01-18
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal structure of D-serine dehydratase from Escherichia coli.
Biochim.Biophys.Acta, 1824, 2011
3SOY
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BU of 3soy by Molmil
Nuclear transport factor 2 (NTF2-like) superfamily protein from Salmonella enterica subsp. enterica serovar Typhimurium str. LT2
Descriptor: GLYCEROL, IMIDAZOLE, MALONATE ION, ...
Authors:Cuff, M.E, Li, H, Jedrzejczak, R, Brown, R.N, Adkins, J.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Program for the Characterization of Secreted Effector Proteins (PCSEP)
Deposit date:2011-06-30
Release date:2011-08-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nuclear transport factor 2 (NTF2-like) superfamily protein from Salmonella enterica subsp. enterica serovar Typhimurium str. LT2
TO BE PUBLISHED
3SU0
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BU of 3su0 by Molmil
Crystal structure of NS3/4A protease variant R155K in complex with danoprevir
Descriptor: (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, Genome polyprotein, SULFATE ION, ...
Authors:Schiffer, C.A, Romano, K.P.
Deposit date:2011-07-11
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.159 Å)
Cite:The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012
3SVB
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BU of 3svb by Molmil
Engineered medium-affinity halide-binding protein derived from YFP: fluoride complex
Descriptor: 1,2-ETHANEDIOL, Green fluorescent protein
Authors:Wang, W, Grimley, J.S, Beese, L.S, Hellinga, H.W.
Deposit date:2011-07-12
Release date:2012-07-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Determination of engineered chloride-binding site structures in fluorescent proteins reveals principles of halide recognition
To be Published
3SST
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BU of 3sst by Molmil
Engineered low-affinity halide-binding protein derived from YFP: chloride complex
Descriptor: CHLORIDE ION, Green fluorescent protein
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 (1.403 Å)
Cite:Determination of engineered chloride-binding site structures in fluorescent proteins reveals principles of halide recognition
To be Published
3STN
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BU of 3stn by Molmil
Structure of human LFABP (apo-LFABP)
Descriptor: Fatty acid-binding protein, liver
Authors:Sharma, A, Sharma, A.
Deposit date:2011-07-11
Release date:2011-08-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.595 Å)
Cite:Fatty acid induced remodeling within the Human liver fatty acid binding protein
J.Biol.Chem., 2011
3SX9
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BU of 3sx9 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-132
Descriptor: 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Larson, E.T, Merritt, E.A.
Deposit date:2011-07-14
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012

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