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3Q5V
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The structure of inorganic pyrophosphatase from Thermococcus Thioreducens in complex with magnesium and sulfate
Descriptor: MAGNESIUM ION, SULFATE ION, Tt-IPPase
Authors:Hughes, R.C, Coates, L, Meehan, E.J, Ng, J.D.
Deposit date:2010-12-29
Release date:2012-01-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:The structure of inorganic pyrophosphatase from Thermococcus Thioreducens in complex with magnesium and sulfate
To be Published
3Q6D
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BU of 3q6d by Molmil
Xaa-Pro dipeptidase from Bacillus anthracis.
Descriptor: CALCIUM ION, GLYCEROL, Proline dipeptidase
Authors:Osipiuk, J, Makowska-Grzyska, M, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-12-31
Release date:2011-02-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Xaa-Pro dipeptidase from Bacillus anthracis.
To be Published
3QR1
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BU of 3qr1 by Molmil
Crystal Structure of L. pealei PLC21
Descriptor: CALCIUM ION, PHOSPHOLIPASE C-BETA (PLC-BETA)
Authors:Lyon, A.M, Suddala, K.C, Northup, J.K, Tesmer, J.J.G.
Deposit date:2011-02-16
Release date:2011-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:An autoinhibitory helix in the C-terminal region of phospholipase C-beta mediates Galphaq activation.
Nat.Struct.Mol.Biol., 18, 2011
3Q60
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BU of 3q60 by Molmil
Crystal structure of virulent allele ROP5B pseudokinase domain bound to ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MALONATE ION, ...
Authors:Reese, M.L, Boothroyd, J.C.
Deposit date:2010-12-30
Release date:2011-02-23
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:A conserved non-canonical motif in the pseudoactive site of the ROP5 pseudokinase domain mediates its effect on Toxoplasma virulence.
J.Biol.Chem., 286, 2011
3Q7Z
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BU of 3q7z by Molmil
CBAP-acylated BlaR1 sensor domain from Staphylococcus aureus
Descriptor: (2R,4S)-2-[(1R)-1-{[(2'-carboxybiphenyl-2-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase regulatory protein BlaR1
Authors:Borbulevych, O.Y, Mobashery, S, Baker, B.M.
Deposit date:2011-01-05
Release date:2011-07-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Lysine Nzeta-decarboxylation switch and activation of the beta-lactam sensor domain of BlaR1 protein of methicillin-resistant Staphylococcus aureus.
J.Biol.Chem., 286, 2011
3Q6K
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BU of 3q6k by Molmil
Salivary protein from Lutzomyia longipalpis
Descriptor: 43.2 kDa salivary protein, CITRIC ACID, SEROTONIN
Authors:Andersen, J.F, Xu, X, Chang, B.W, Collin, N, Valenzuela, J.G, Ribeiro, J.M.
Deposit date:2011-01-02
Release date:2011-07-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Structure and function of a "yellow" protein from saliva of the sand fly Lutzomyia longipalpis that confers protective immunity against Leishmania major infection.
J.Biol.Chem., 286, 2011
3Q96
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BU of 3q96 by Molmil
B-Raf kinase domain in complex with a tetrahydronaphthalene inhibitor
Descriptor: (2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide, Serine/threonine-protein kinase B-raf
Authors:Sintchak, M.D, Aertgeerts, K, Yano, J.
Deposit date:2011-01-07
Release date:2011-03-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Design and optimization of potent and orally bioavailable tetrahydronaphthalene raf inhibitors.
J.Med.Chem., 54, 2011
3Q9H
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BU of 3q9h by Molmil
LVFFA segment from Alzheimer's Amyloid-Beta displayed on 42-membered macrocycle scaffold
Descriptor: 1,4-BUTANEDIOL, Cyclic pseudo-peptide LVFFA(ORN)(HAO)LK(ORN), GLYCEROL, ...
Authors:Liu, C, Sawaya, M.R, Eisenberg, D, Nowick, J.S, Cheng, P, Zheng, J.
Deposit date:2011-01-07
Release date:2011-06-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Characteristics of Amyloid-Related Oligomers Revealed by Crystal Structures of Macrocyclic beta-Sheet Mimics.
J.Am.Chem.Soc., 133, 2011
3Q9X
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BU of 3q9x by Molmil
Crystal structure of human CK2 alpha in complex with emodin at pH 6.5
Descriptor: 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, ...
Authors:Battistutta, R, Ranchio, A, Papinutto, E.
Deposit date:2011-01-10
Release date:2012-01-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional analysis of the flexible regions of the catalytic alpha-subunit of protein kinase CK2
To be Published
3QBM
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BU of 3qbm by Molmil
Crystal structure of a TetR transcriptional regulator (Caur_2221) from CHLOROFLEXUS AURANTIACUS J-10-FL at 1.80 A resolution
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, TRIETHYLENE GLYCOL, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2011-01-13
Release date:2011-02-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a TetR transcriptional regulator (Caur_2221) from CHLOROFLEXUS AURANTIACUS J-10-FL at 1.80 A resolution
To be published
3QCK
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BU of 3qck by Molmil
Human receptor protein tyrosine phosphatase gamma, domain 1, in complex with 2-[(3,4-dichlorobenzyl)sulfanyl]benzoic acid
Descriptor: 2-[(3,4-dichlorobenzyl)sulfanyl]benzoic acid, Receptor-type tyrosine-protein phosphatase gamma
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCU
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BU of 3qcu by Molmil
Crystal structure of the LT3015 antibody Fab fragment in complex with lysophosphatidic acid (14:0)
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, LT3015 antibody Fab fragment, heavy chain, ...
Authors:Fleming, J.K, Wojciak, J.M, Campbell, M.-A, Huxford, T.
Deposit date:2011-01-17
Release date:2011-03-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.979 Å)
Cite:Biochemical and structural characterization of lysophosphatidic Acid binding by a humanized monoclonal antibody.
J.Mol.Biol., 408, 2011
3Q9L
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BU of 3q9l by Molmil
The structure of the dimeric E.coli MinD-ATP complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Septum site-determining protein minD
Authors:Wu, W, Park, K.-T, Lutkenhaus, J, Holyoak, T.
Deposit date:2011-01-08
Release date:2011-01-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.343 Å)
Cite:Determination of the structure of the MinD-ATP complex reveals the orientation of MinD on the membrane and the relative location of the binding sites for MinE and MinC.
Mol.Microbiol., 79, 2011
3Q9Y
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BU of 3q9y by Molmil
Crystal structure of human CK2 alpha in complex with Quinalizarin at pH 8.5
Descriptor: 1,2,5,8-tetrahydroxyanthracene-9,10-dione, Casein kinase II subunit alpha, SULFATE ION
Authors:Battistutta, R, Ranchio, A, Papinutto, E.
Deposit date:2011-01-10
Release date:2012-01-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional analysis of the flexible regions of the catalytic alpha-subunit of protein kinase CK2
To be Published
3QC3
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BU of 3qc3 by Molmil
Crystal structure of a D-ribulose-5-phosphate-3-epimerase (NP_954699) from HOMO SAPIENS at 2.20 A resolution
Descriptor: D-ribulose-5-phosphate-3-epimerase, FE (III) ION, GLYCEROL, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2011-01-14
Release date:2011-03-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a D-ribulose-5-phosphate-3-epimerase (NP_954699) from HOMO SAPIENS at 2.20 A resolution
To be published
3QH2
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BU of 3qh2 by Molmil
Crystal structure of TenI from Bacillus subtilis complexed with product cThz-P
Descriptor: 4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazole-2-carboxylic acid, Regulatory protein tenI, SULFATE ION
Authors:Han, Y, Zhang, Y, Hazra, A, Chatterjee, A, Lai, R, Begley, T.P, Ealick, S.E.
Deposit date:2011-01-25
Release date:2011-05-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.231 Å)
Cite:A Missing Enzyme in Thiamin Thiazole Biosynthesis: Identification of TenI as a Thiazole Tautomerase.
J.Am.Chem.Soc., 133, 2011
3QCI
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BU of 3qci by Molmil
Human receptor protein tyrosine phosphatase gamma, domain 1, in complex with N-[(3-aminophenyl)sulfonyl]-3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxamide
Descriptor: N-[(3-aminophenyl)sulfonyl]-3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxamide, Receptor-type tyrosine-protein phosphatase gamma
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCS
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BU of 3qcs by Molmil
Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-[2-Amino-6-(4-morpholinyl)-4-pyrimidinyl]-1H-indazol-3-amine
Descriptor: 3-phosphoinositide-dependent protein kinase 1, 6-[2-amino-6-(morpholin-4-yl)pyrimidin-4-yl]-2H-indazol-3-amine, GLYCEROL, ...
Authors:Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M.
Deposit date:2011-01-17
Release date:2011-03-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.487 Å)
Cite:Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
3QI7
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BU of 3qi7 by Molmil
Crystal structure of a Putative transcriptional regulator (YP_001089212.1) from Clostridium difficile 630 at 1.86 A resolution
Descriptor: Putative transcriptional regulator
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2011-01-26
Release date:2011-03-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of a Putative transcriptional regulator (YP_001089212.1) from Clostridium difficile 630 at 1.86 A resolution
To be published
3QD6
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BU of 3qd6 by Molmil
Crystal structure of the CD40 and CD154 (CD40L) complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CD40 ligand, Tumor necrosis factor receptor superfamily member 5
Authors:Lee, J.-O, Kim, Y.J, Song, D.H, Kim, H.M, Park, B.S.
Deposit date:2011-01-18
Release date:2011-02-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystallographic and mutational analysis of the CD40-CD154 complex and its implications for receptor activation
J.Biol.Chem., 286, 2011
3QLR
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BU of 3qlr by Molmil
Candida albicans dihydrofolate reductase complexed with NADPH and 6-methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)pent-1-yn-1-yl]pyrimidine-2,4-diamine (UCP112A)
Descriptor: 6-methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)pent-1-yn-1-yl]pyrimidine-2,4-diamine, GLYCEROL, GLYCINE, ...
Authors:Paulsen, J.L, Bendel, S.D, Anderson, A.C.
Deposit date:2011-02-03
Release date:2011-07-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.149 Å)
Cite:Crystal Structures of Candida albicans Dihydrofolate Reductase Bound to Propargyl-Linked Antifolates Reveal the Flexibility of Active Site Loop Residues Critical for Ligand Potency and Selectivity.
Chem.Biol.Drug Des., 78, 2011
3QGE
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BU of 3qge by Molmil
Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid and (2R)-4-(2,6-dimethoxypyrimidin-4-yl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide
Descriptor: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, (2R)-4-(2,6-dimethoxypyrimidin-4-yl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide, RNA-directed RNA polymerase, ...
Authors:Sheriff, S.
Deposit date:2011-01-24
Release date:2011-04-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Investigation of the mode of binding of a novel series of N-benzyl-4-heteroaryl-1-(phenylsulfonyl)piperazine-2-carboxamides to the hepatitis C virus polymerase.
Bioorg.Med.Chem.Lett., 21, 2011
3QMF
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BU of 3qmf by Molmil
Crystal strucuture of an inositol monophosphatase family protein (SAS2203) from Staphylococcus aureus MSSA476
Descriptor: Inositol monophosphatase family protein, SULFATE ION
Authors:Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K.
Deposit date:2011-02-04
Release date:2012-01-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of Staphylococcal dual specific inositol monophosphatase/NADP(H) phosphatase (SAS2203) delineates the molecular basis of substrate specificity
Biochimie, 94, 2012
3Q6J
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BU of 3q6j by Molmil
Structural basis for carbon dioxide binding by 2-ketopropyl coenzyme M Oxidoreductase/Carboxylase
Descriptor: (2-[2-KETOPROPYLTHIO]ETHANESULFONATE, 1-THIOETHANESULFONIC ACID, 2-oxopropyl-CoM reductase, ...
Authors:Pandey, A.S, Mulder, D.W, Ensign, S.A, Peters, J.W.
Deposit date:2011-01-01
Release date:2011-02-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural basis for carbon dioxide binding by 2-ketopropyl coenzyme M oxidoreductase/carboxylase.
Febs Lett., 585, 2011
3QKB
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Crystal structure of a Protein with unknown function which belongs to Pfam DUF74 family (PEPE_0654) from Pediococcus pentosaceus ATCC 25745 at 2.73 A resolution
Descriptor: Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2011-01-31
Release date:2011-02-23
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Crystal structure of a Protein with unknown function which belongs to Pfam DUF74 family (PEPE_0654) from Pediococcus pentosaceus ATCC 25745 at 2.73 A resolution
To be published

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