3TYC
 
 | | Dihydropteroate Synthase in complex with DHP+ | | Descriptor: | 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one, Dihydropteroate synthase, SULFATE ION | | Authors: | Yun, M.-K, White, S.W. | | Deposit date: | 2011-09-24 | | Release date: | 2012-03-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.303 Å) | | Cite: | Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012
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3TL5
 | | Discovery of GDC-0980: a Potent, Selective, and Orally Available Class I Phosphatidylinositol 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Kinase Inhibitor for the Treatment of Cancer | | Descriptor: | (2S)-1-(4-{[2-(2-aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-2-hydroxypropan-1-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Murray, J.M, Wiesmann, C. | | Deposit date: | 2011-08-29 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.788 Å) | | Cite: | Discovery of a Potent, Selective, and Orally Available Class I Phosphatidylinositol 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Kinase Inhibitor (GDC-0980) for the Treatment of Cancer.
J.Med.Chem., 54, 2011
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3TLT
 | | The GLIC pentameric Ligand-Gated Ion Channel H11'F mutant in a locally-closed conformation (LC1 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: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | A locally closed conformation of a bacterial pentameric proton-gated ion channel.
Nat.Struct.Mol.Biol., 19, 2012
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3TNB
 | | Crystal structure of GkaP mutant G209D/R230H from Geobacillus kaustophilus HTA426 | | Descriptor: | COBALT (II) ION, Phosphotriesterase | | Authors: | An, J, Zhang, Z, Zhang, Y, Feng, Y, Wu, G. | | Deposit date: | 2011-09-01 | | Release date: | 2012-09-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Engineering a thermostable lactonase for enhanced phosphotriesterase activity against organophosphate pesticides
to be published
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3TP8
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS L36E at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Robinson, A.C, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | | Deposit date: | 2011-09-07 | | Release date: | 2011-09-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS L36E at cryogenic temperature
To be Published
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3U0S
 | | Crystal Structure of an Enzyme Redesigned Through Multiplayer Online Gaming: CE6 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Diisopropyl-fluorophosphatase, GLYCEROL, ... | | Authors: | Bale, J.B, Shen, B.W, Stoddard, B.L. | | Deposit date: | 2011-09-29 | | Release date: | 2012-02-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Increased Diels-Alderase activity through backbone remodeling guided by Foldit players.
Nat.Biotechnol., 30, 2012
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3TQ4
 | | Crystal structure of M-PMV dUTPase with a mixed population of substrate (dUPNPP) and post-inversion product (dUMP) in the active sites | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 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 (1.6 Å) | | Cite: | Structural Snapshots of Enzyme-Catalysed Phosphate Ester Hydrolysis Directly Visualize In-line Attack and Inversion
to be published
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3TQV
 | | Structure of the nicotinate-nucleotide pyrophosphorylase from Francisella tularensis. | | Descriptor: | Nicotinate-nucleotide pyrophosphorylase, PHOSPHATE ION | | Authors: | Rudolph, M, Cheung, J, Franklin, 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 (2.62 Å) | | Cite: | Rapid countermeasure discovery against Francisella tularensis based on a metabolic network reconstruction.
Plos One, 8, 2013
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3TRG
 | | Structure of an acylphosphatase from Coxiella burnetii | | Descriptor: | 1,2-ETHANEDIOL, Acylphosphatase, CHLORIDE ION | | Authors: | Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | Deposit date: | 2011-09-09 | | Release date: | 2011-10-19 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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3U4W
 | | Src in complex with DNA-templated macrocyclic inhibitor MC4b | | Descriptor: | GLYCEROL, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION, ... | | 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 (1.9 Å) | | Cite: | Highly specific, bisubstrate-competitive Src inhibitors from DNA-templated macrocycles.
Nat.Chem.Biol., 8, 2012
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3U62
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3TTU
 | | Structure of F413Y/H128N double 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 (1.89 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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3TV8
 | | Pharmacological Chaperoning in Human alpha-Galactosidase | | Descriptor: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-galactosidase A, ... | | Authors: | Rogich, J.J, Guce, A.I, Clark, N.E, Garman, S.C. | | Deposit date: | 2011-09-19 | | Release date: | 2012-01-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.639 Å) | | Cite: | The molecular basis of pharmacological chaperoning in human alpha-galactosidase
Chem.Biol., 18, 2011
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3TW4
 | | Crystal Structure of Human Septin 7 GTPase Domain | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Septin-7 | | Authors: | Serrao, V.H.B, Alessandro, F, Pereira, H.M, Thiemann, O.T, Garratt, R.C. | | Deposit date: | 2011-09-21 | | Release date: | 2011-11-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Promiscuous interactions of human septins: The GTP binding domain of SEPT7 forms filaments within the crystal.
Febs Lett., 585, 2011
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3TWE
 | | Crystal Structure of the de novo designed peptide alpha4H | | Descriptor: | ACETYL GROUP, TRIETHYLENE GLYCOL, alpha4H | | Authors: | Buer, B.C, Meagher, J.L, Stuckey, J.A, Marsh, E.N.G. | | Deposit date: | 2011-09-21 | | Release date: | 2012-03-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Structural basis for the enhanced stability of highly fluorinated proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3TWG
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3U8I
 | | Functionally selective inhibition of Group IIA phospholipase A2 reveals a role for vimentin in regulating arachidonic acid metabolism | | Descriptor: | CALCIUM ION, CHLORIDE ION, Phospholipase A2, ... | | Authors: | Lee, L.K, Bryant, K.J, Bouveret, R, Lei, P.-W, Duff, A.P, Harrop, S.J, Huang, E.P, Harvey, R.P, Gelb, M.H, Gray, P.P, Curmi, P.M, Cunningham, A.M, Church, W.B, Scott, K.F. | | Deposit date: | 2011-10-17 | | Release date: | 2012-10-17 | | Last modified: | 2013-06-12 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Selective Inhibition of Human Group IIA-secreted Phospholipase A2 (hGIIA) Signaling Reveals Arachidonic Acid Metabolism Is Associated with Colocalization of hGIIA to Vimentin in Rheumatoid Synoviocytes.
J.Biol.Chem., 288, 2013
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3TY1
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3U96
 | | Crystal Structure of YopHQ357F(Catalytic Domain, Residues 163-468) in complex with pNCS | | Descriptor: | N,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUM, SULFATE ION, Tyrosine-protein phosphatase yopH | | Authors: | Ho, M.C, Ke, S. | | Deposit date: | 2011-10-17 | | Release date: | 2012-08-29 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Investigation of catalytic loop structure, dynamics, and function relationship of Yersinia protein tyrosine phosphatase by temperature-jump relaxation spectroscopy and X-ray structural determination.
J.Phys.Chem.B, 116, 2012
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3TZT
 | | The structure of a protein in glycosyl transferase family 8 from Anaerococcus prevotii. | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Glycosyl transferase family 8 | | Authors: | Cuff, M.E, Tesar, C, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2011-09-27 | | Release date: | 2011-12-07 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The structure of a protein in glycosyl transferase family 8 from Anaerococcus prevotii.
TO BE PUBLISHED
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3U2G
 | | Crystal structure of the C-terminal DUF1608 domain of the Methanosarcina acetivorans S-layer (MA0829) protein | | Descriptor: | AMMONIUM ION, CITRIC ACID, GLYCEROL, ... | | 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: | 2012-08-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the surface layer of the methanogenic archaean Methanosarcina acetivorans.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3U31
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3U3A
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3U3J
 | | Crystal structure of hSULT1A1 bound to PAP | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase 1A1 | | 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 (2.7 Å) | | Cite: | The molecular basis for the broad substrate specificity of human sulfotransferase 1A1.
Plos One, 6, 2011
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3U41
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