3TR9
 
 | | Structure of a dihydropteroate synthase (folP) in complex with pteroic acid from Coxiella burnetii | | Descriptor: | CHLORIDE ION, Dihydropteroate synthase, PTEROIC ACID, ... | | 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: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.895 Å) | | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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3TSQ
 | | Crystal structure of E. coli HypF with ATP and Carbamoyl phosphate | | Descriptor: | 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine, MAGNESIUM ION, Transcriptional regulatory protein, ... | | Authors: | Petkun, S, Shi, R, Li, Y, Cygler, M. | | Deposit date: | 2011-09-13 | | Release date: | 2011-12-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of Hydrogenase Maturation Protein HypF with Reaction Intermediates Shows Two Active Sites.
Structure, 19, 2011
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3TTW
 | | Structure of the F413E 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: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.62 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
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3TUR
 | | Crystal Structure of M. tuberculosis LD-transpeptidase type 2 complexed with a peptidoglycan fragment | | Descriptor: | 6-CARBOXYLYSINE, D-GLUTAMIC ACID, Di-mu-iodobis(ethylenediamine)diplatinum(II), ... | | Authors: | Bianchet, M.A, Erdemli, S.B, Gupta, R, Lamichhane, G, Amzel, L.M. | | Deposit date: | 2011-09-17 | | Release date: | 2012-12-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Targeting the Cell Wall of Mycobacterium tuberculosis: Structure and Mechanism of L,D-Transpeptidase 2.
Structure, 20, 2012
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3TVK
 | | Diguanylate cyclase domain of DgcZ | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), D(-)-TARTARIC ACID, Diguanylate cyclase DgcZ, ... | | Authors: | Zaehringer, F, Schirmer, T. | | Deposit date: | 2011-09-20 | | Release date: | 2012-10-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure and signaling mechanism of a zinc-sensory diguanylate cyclase.
Structure, 21, 2013
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3TWD
 | | glmuC1 in complex with an antibacterial inhibitor | | Descriptor: | 4-({5-[(4-aminophenyl)(phenyl)sulfamoyl]-2,4-dimethoxyphenyl}amino)-4-oxobutanoic acid, Bifunctional protein glmU, SULFATE ION | | Authors: | Lahiri, S, Otterbein, L. | | Deposit date: | 2011-09-21 | | Release date: | 2011-10-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | In Vitro Validation of Acetyltransferase Activity of GlmU as an Antibacterial Target in Haemophilus influenzae.
J.Biol.Chem., 286, 2011
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3TWK
 | | Crystal structure of arabidopsis thaliana FPG | | Descriptor: | Formamidopyrimidine-DNA glycosylase 1, GLYCEROL | | Authors: | Duclos, S, Aller, P, Wallace, S.S, Doublie, S. | | Deposit date: | 2011-09-22 | | Release date: | 2012-07-25 | | Last modified: | 2012-08-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and biochemical studies of a plant formamidopyrimidine-DNA glycosylase reveal why eukaryotic Fpg glycosylases do not excise 8-oxoguanine.
Dna Repair, 11, 2012
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3TZ7
 | | Kinase domain of cSrc in complex with RL103 | | Descriptor: | N-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-4-(dimethylamino)butanamide, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Gruetter, C, Richters, A, Rauh, D. | | Deposit date: | 2011-09-27 | | Release date: | 2012-10-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Overcoming Gatekeeper Mutations in cSrc and Abl by Hybrid Compound Design
To be Published
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3U0T
 | | Fab-antibody complex | | Descriptor: | Amyloid beta A4 protein, ponezumab HC Fab, ponezumab LC Fab | | Authors: | LaPorte, S.L, Pons, J.P. | | Deposit date: | 2011-09-29 | | Release date: | 2012-01-11 | | Last modified: | 2013-07-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Basis of C-terminal beta-Amyloid Peptide Binding by the Antibody Ponezumab for the Treatment of Alzheimer's Disease
J.Mol.Biol., 421, 2012
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3TY3
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3U2H
 | | Crystal structure of the C-terminal DUF1608 domain of the Methanosarcina acetivorans S-layer (MA0829) protein | | Descriptor: | GLYCEROL, S-layer protein MA0829 | | Authors: | Chan, S, Phan, T, Ahn, C.J, Shin, A, Rohlin, L, Gunsalus, R.P, Arbing, M.A. | | Deposit date: | 2011-10-03 | | Release date: | 2012-07-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Structure of the surface layer of the methanogenic archaean Methanosarcina acetivorans.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3U0P
 | | Crystal structure of human CD1d-lysophosphatidylcholine | | Descriptor: | (4R,7R,18E)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide, Antigen-presenting glycoprotein CD1d, Beta-2-microglobulin, ... | | Authors: | Lopez-Sagaseta, J, Sibener, L.V, Adams, E.J. | | Deposit date: | 2011-09-28 | | Release date: | 2012-04-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Lysophospholipid presentation by CD1d and recognition by a human Natural Killer T-cell receptor.
Embo J., 31, 2012
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3U1Q
 | | Crystal Structure of M. tuberculosis LD-transpeptidase type 2 with 2-Mercaptoethanol | | Descriptor: | BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, Mycobacteria Tuberculosis LD-transpeptidase type 2 | | Authors: | Erdemli, S, Bianchet, M.A, Gupta, R, Lamichhane, G, Amzel, L.M. | | Deposit date: | 2011-09-30 | | Release date: | 2012-12-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Structure of Mycobacterium tuberculosis L,D-transpeptidase 2 provides insights into targeting the cell wall of persisters
to be published
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3U51
 | | Src in complex with DNA-templated macrocyclic inhibitor MC1 | | Descriptor: | Proto-oncogene tyrosine-protein kinase Src, macrocyclic inhibitor MC1 | | Authors: | Seeliger, M.A, Liu, D.R, Georghiou, G, Kleiner, R.E, Pulkoski-Gross, M. | | Deposit date: | 2011-10-10 | | Release date: | 2012-02-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.241 Å) | | Cite: | Highly specific, bisubstrate-competitive Src inhibitors from DNA-templated macrocycles.
Nat.Chem.Biol., 8, 2012
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3U2A
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3U69
 | | Unliganded wild-type human thrombin | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Figueiredo, A.C, Clement, C.C, Philipp, M, Barbosa Pereira, P.J. | | Deposit date: | 2011-10-12 | | Release date: | 2012-04-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Rational design and characterization of d-phe-pro-d-arg-derived direct thrombin inhibitors.
Plos One, 7, 2012
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3U6H
 | | Crystal structure of c-Met in complex with pyrazolone inhibitor 26 | | Descriptor: | Hepatocyte growth factor receptor, N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide | | Authors: | Bellon, S.F, Whittington, D.A, Long, A.L. | | Deposit date: | 2011-10-12 | | Release date: | 2012-02-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.
J.Med.Chem., 55, 2012
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3U39
 | | Crystal Structure of the apo Bacillus Stearothermophilus phosphofructokinase | | Descriptor: | 6-phosphofructokinase, CALCIUM ION | | Authors: | Mosser, R, Reddy, M.C.M, Bruning, J.B, Sacchettini, J.C, Reinhart, G.D. | | Deposit date: | 2011-10-05 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7921 Å) | | Cite: | Structure of the apo form of Bacillus stearothermophilus phosphofructokinase.
Biochemistry, 51, 2012
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3U3R
 | | Crystal structure of D249G mutated Human SULT1A1 bound to PAP and P-NITROPHENOL | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, P-NITROPHENOL, Sulfotransferase 1A1 | | Authors: | Guttman, C, Berger, I, Aharoni, A, Zarivach, R. | | Deposit date: | 2011-10-06 | | Release date: | 2011-11-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | The molecular basis for the broad substrate specificity of human sulfotransferase 1A1.
Plos One, 6, 2011
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3U7G
 | | Crystal structure of mPNKP catalytic fragment (D170A) bound to single-stranded DNA (TCCTAp) | | Descriptor: | Bifunctional polynucleotide phosphatase/kinase, DNA, GLYCEROL, ... | | Authors: | Coquelle, N, Havali, Z, Bernstein, N, Green, R, Glover, J.N.M. | | Deposit date: | 2011-10-13 | | Release date: | 2011-12-14 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for the phosphatase activity of polynucleotide kinase/phosphatase on single- and double-stranded DNA substrates.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3U45
 | | Human Carbonic Anhydrase II V143A | | Descriptor: | Carbonic anhydrase 2, GLYCEROL, ZINC ION | | Authors: | West, D, Mckenna, R. | | Deposit date: | 2011-10-07 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.699 Å) | | Cite: | Structural Modification of the hydrophobic pocket in Human Carbonic Anhydrase II
To be Published
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3U8J
 | | Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3531 (1-(pyridin-3-yl)-1,4-diazepane) | | Descriptor: | 1-(pyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, ... | | Authors: | Rohde, L.A.H, Ahring, P.K, Jensen, M.L, Nielsen, E.O, Peters, D, Helgstrand, C, Krintel, C, Harpsoe, K, Gajhede, M, Kastrup, J.S, Balle, T. | | Deposit date: | 2011-10-17 | | Release date: | 2011-12-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Intersubunit bridge formation governs agonist efficacy at nicotinic acetylcholine alpha 4 beta 2 receptors: unique role of halogen bonding revealed.
J.Biol.Chem., 287, 2012
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3U9D
 | | Crystal Structure of a chimera containing the N-terminal domain (residues 8-24) of drosophila Ciboulot and the C-terminal domain (residues 13-44) of bovine Thymosin-beta4, bound to G-actin-ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Renault, L, Husson, C, Carlier, M.F, Didry, D. | | Deposit date: | 2011-10-18 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | How a single residue in individual beta-thymosin/WH2 domains controls their functions in actin assembly.
Embo J., 31, 2012
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3UA6
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3UAQ
 | | Crystal Structure of the N-lobe Domain of Lactoferrin Binding Protein B (LbpB) of Moraxella bovis | | Descriptor: | LbpB B-lobe | | Authors: | Arutyunova, E, Brooks, C.L, Beddeck, A, Mak, M.W, Schryvers, A.B, Lemieux, M.J. | | Deposit date: | 2011-10-21 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9318 Å) | | Cite: | Crystal structure of the N-lobe of lactoferrin binding protein B from Moraxella bovis(1).
Biochem.Cell Biol., 90, 2012
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