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3SVD
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BU of 3svd by Molmil
Engineered medium-affinity halide-binding protein derived from YFP: bromide complex
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, 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:2023-11-15
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Determination of engineered chloride-binding site structures in fluorescent proteins reveals principles of halide recognition
To be Published
3TLX
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BU of 3tlx by Molmil
Crystal Structure of PF10_0086, adenylate kinase from plasmodium falciparum
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Wernimont, A.K, Loppnau, P, Crombet, L, Weadge, J, Perieteanu, A, Edwards, A.M, Arrowsmith, C.H, Park, H, Bountra, C, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
Deposit date:2011-08-30
Release date:2011-10-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal Structure of PF10_0086, adenylate kinase from plasmodium falciparum
TO BE PUBLISHED
3U2D
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BU of 3u2d by Molmil
S. aureus GyrB ATPase domain in complex with small molecule inhibitor
Descriptor: 4-bromo-5-methyl-N-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide, DNA gyrase subunit B, MAGNESIUM ION
Authors:Boriack-Sjodin, P.A, Prince, D.B, Eakin, A.E, Sherer, B.A.
Deposit date:2011-10-03
Release date:2012-01-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Pyrrolamide DNA gyrase inhibitors: fragment-based nuclear magnetic resonance screening to identify antibacterial agents.
Antimicrob.Agents Chemother., 56, 2012
3U3K
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BU of 3u3k by Molmil
Crystal structure of hSULT1A1 bound to PAP and 2-Naphtol
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase 1A1, naphthalen-2-ol
Authors:Guttman, C, Berger, I, Aharoni, A, Zarivach, R.
Deposit date:2011-10-06
Release date:2011-11-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:The molecular basis for the broad substrate specificity of human sulfotransferase 1A1.
Plos One, 6, 2011
3U6J
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BU of 3u6j by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a pyrazolone inhibitor
Descriptor: N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide, Vascular endothelial growth factor receptor 2
Authors:Whittington, D.A, Long, A, Rose, P, Gu, Y, Zhao, H.
Deposit date:2011-10-12
Release date:2012-02-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.
J.Med.Chem., 55, 2012
3TOL
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BU of 3tol by Molmil
Crystal structure of an engineered cytochrome cb562 that forms 1D, Zn-mediated coordination polymers
Descriptor: CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562, ...
Authors:Brodin, J.B, Tezcan, F.A.
Deposit date:2011-09-05
Release date:2012-07-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Metal-directed, chemically tunable assembly of one-, two- and three-dimensional crystalline protein arrays.
Nat Chem, 4, 2012
3TQ5
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BU of 3tq5 by Molmil
Crystal structure of M-PMV dUTPASE post-inversion product (dUMP) COMPLEX
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDO HYDROLASE
Authors:Barabas, O, Nemeth, V, Vertessy, B.G.
Deposit date:2011-09-09
Release date:2011-10-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Snapshots of Enzyme-Catalysed Phosphate Ester Hydrolysis Directly Visualize In-line Attack and Inversion
to be published
3U7U
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BU of 3u7u by Molmil
Crystal structure of extracellular region of human epidermal growth factor receptor 4 in complex with neuregulin-1 beta
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuregulin 1, Receptor tyrosine-protein kinase erbB-4
Authors:Liu, P, Cleveland IV, T.E, Bouyain, S, Longo, P.A, Leahy, D.J.
Deposit date:2011-10-14
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:A single ligand is sufficient to activate EGFR dimers.
Proc.Natl.Acad.Sci.USA, 109, 2012
3U9Q
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BU of 3u9q by Molmil
Ligand binding domain of PPARgamma complexed with Decanoic Acid and PGC-1a peptide
Descriptor: DECANOIC ACID, PGC-1a peptide, Peroxisome proliferator-activated receptor gamma
Authors:Malapaka, V.R, Xu, H.E.
Deposit date:2011-10-19
Release date:2011-11-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.522 Å)
Cite:Identification and Mechanism of 10-Carbon Fatty Acid as Modulating Ligand of Peroxisome Proliferator-activated Receptors.
J.Biol.Chem., 287, 2012
3TQW
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BU of 3tqw by Molmil
Structure of a ABC transporter, periplasmic substrate-binding protein from Coxiella burnetii
Descriptor: METHIONINE, Methionine-binding protein, SULFATE ION
Authors:Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-21
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TRC
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BU of 3trc by Molmil
Structure of the GAF domain from a phosphoenolpyruvate-protein phosphotransferase (ptsP) from Coxiella burnetii
Descriptor: PHOSPHATE ION, Phosphoenolpyruvate-protein phosphotransferase, SODIUM ION
Authors:Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3U9Z
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BU of 3u9z by Molmil
Crystal structure between actin and a protein construct containing the first beta-thymosin domain of drosophila ciboulot (residues 2-58) with the three mutations N26D/Q27K/D28S
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Renault, L, Husson, C, Carlier, M.F, Didry, D.
Deposit date:2011-10-20
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:How a single residue in individual beta-thymosin/WH2 domains controls their functions in actin assembly
Embo J., 31, 2012
3TRK
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BU of 3trk by Molmil
Structure of the Chikungunya virus nsP2 protease
Descriptor: Nonstructural polyprotein, SODIUM ION
Authors:Cheung, J, Franklin, M, Mancia, F, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Structure of the Chikungunya virus nsP2 protease
To be Published
3UA8
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BU of 3ua8 by Molmil
Crystal Structure Analysis of a 6-Amino Quinazolinedione Sulfonamide bound to human GluR2
Descriptor: Glutamate receptor 2, N-methyl-1-{3-[(methylsulfonyl)amino]-2,4-dioxo-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-6-yl}-1H-imidazole-4-carboxamide
Authors:Kallen, J.
Deposit date:2011-10-21
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:6-Amino quinazolinedione sulfonamides as orally active competitive AMPA receptor antagonists.
Bioorg.Med.Chem.Lett., 22, 2012
3TIH
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BU of 3tih by Molmil
Crystal structure of unliganded HIV-1 clade C strain ZM109F.PB4 gp120 core
Descriptor: HIV-1 clade C ZM109F.PB4 gp120
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2011-08-20
Release date:2012-04-04
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (4 Å)
Cite:Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
3TKR
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BU of 3tkr by Molmil
Crystal structure of full-length human peroxiredoxin 4 with T118E mutation
Descriptor: Peroxiredoxin-4
Authors:Wang, X, Wang, L, Wang, X, Sun, F, Wang, C.-C.
Deposit date:2011-08-28
Release date:2011-10-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into the peroxidase activity and inactivation of human peroxiredoxin 4
Biochem.J., 2011
3TLC
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BU of 3tlc by Molmil
Microcin C7 self immunity protein MccF in complex with Microcin C7 antibiotic
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(R)-(3-aminopropoxy)(L-alpha-aspartylamino)phosphoryl]adenosine, MccF
Authors:Agarwal, V, Nair, S.K.
Deposit date:2011-08-29
Release date:2012-02-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure and function of a serine carboxypeptidase adapted for degradation of the protein synthesis antibiotic microcin C7.
Proc.Natl.Acad.Sci.USA, 109, 2012
3TLW
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BU of 3tlw by Molmil
The GLIC pentameric Ligand-Gated Ion Channel Loop2-21' oxidized mutant in a locally-closed conformation (LC2 subtype)
Descriptor: CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, Glr4197 protein
Authors:Sauguet, L, Nury, H, Corringer, P.J, Delarue, M.
Deposit date:2011-08-30
Release date:2012-05-16
Last modified:2012-06-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A locally closed conformation of a bacterial pentameric proton-gated ion channel.
Nat.Struct.Mol.Biol., 19, 2012
3TN9
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BU of 3tn9 by Molmil
X-ray structure of the HRV2 empty capsid (B-particle)
Descriptor: Protein VP1, Protein VP2, Protein VP3
Authors:Garriga, D, Pickl-Herk, A, Luque, D, Wruss, J, Caston, J.R, Blaas, D, Verdaguer, N.
Deposit date:2011-09-01
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Insights into minor group rhinovirus uncoating: the X-ray structure of the HRV2 empty capsid.
Plos Pathog., 8, 2012
3TTF
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BU of 3ttf by Molmil
Crystal structure of E. coli HypF with AMP and carbamoyl phosphate
Descriptor: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, Transcriptional regulatory protein, ...
Authors:Petkun, S, Shi, R, Li, Y, Cygler, M.
Deposit date:2011-09-14
Release date:2011-12-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure of Hydrogenase Maturation Protein HypF with Reaction Intermediates Shows Two Active Sites.
Structure, 19, 2011
3TPM
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BU of 3tpm by Molmil
Crystal structure of MAL RPEL domain in complex with importin-alpha
Descriptor: Importin subunit alpha-2, MAL
Authors:Hirano, H, Matsuura, Y.
Deposit date:2011-09-08
Release date:2011-10-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Sensing actin dynamics: structural basis for G-actin-sensitive nuclear import of MAL
Biochem.Biophys.Res.Commun., 414, 2011
3TTT
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BU of 3ttt by Molmil
Structure of F413Y variant of E. coli KatE
Descriptor: Catalase HPII, PROTOPORPHYRIN IX CONTAINING FE
Authors:Loewen, P.C, Jha, V.
Deposit date:2011-09-15
Release date:2011-10-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Mutation of Phe413 to Tyr in catalase KatE from Escherichia coli leads to side chain damage and main chain cleavage.
Arch.Biochem.Biophys., 525, 2012
3TQL
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BU of 3tql by Molmil
Structure of the amino acid ABC transporter, periplasmic amino acid-binding protein from Coxiella burnetii.
Descriptor: ARGININE, Arginine-binding protein, IMIDAZOLE
Authors:Rudolph, M, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-10-05
Last modified:2016-01-20
Method:X-RAY DIFFRACTION (1.594 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQR
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BU of 3tqr by Molmil
Structure of the phosphoribosylglycinamide formyltransferase (purN) in complex with CHES from Coxiella burnetii
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Phosphoribosylglycinamide formyltransferase
Authors:Rudolph, M, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TR2
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BU of 3tr2 by Molmil
Structure of a orotidine 5'-phosphate decarboxylase (pyrF) from Coxiella burnetii
Descriptor: Orotidine 5'-phosphate decarboxylase
Authors:Cheung, J, Franklin, M, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015

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