5TSZ
 
 | | Crystal structure of Plasmodium vivax CelTOS | | Descriptor: | Pv cell-traversal protein, SODIUM ION | | Authors: | Tolia, N.H, Jimah, J.R. | | Deposit date: | 2016-10-31 | | Release date: | 2016-12-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.002 Å) | | Cite: | Malaria parasite CelTOS targets the inner leaflet of cell membranes for pore-dependent disruption.
Elife, 5, 2016
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5U5I
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5T0V
 | | Architecture of the Yeast Mitochondrial Iron-Sulfur Cluster Assembly Machinery: the Sub-Complex Formed by the Iron Donor, Yfh1, and the Scaffold, Isu1 | | Descriptor: | Frataxin homolog, mitochondrial, Iron sulfur cluster assembly protein 1 | | Authors: | Ranatunga, W, Gakh, O, Galeano, B.K, Smith IV, D.Y, Soderberg, C.A, Al-Karadaghi, S, Thompson, J.R, Isaya, G. | | Deposit date: | 2016-08-16 | | Release date: | 2016-08-31 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (17.5 Å) | | Cite: | Architecture of the Yeast Mitochondrial Iron-Sulfur Cluster Assembly Machinery: the Sub-Complex Formed by the Iron Donor, Yfh1, and the Scaffold, Isu1
J. Biol. Chem., 291, 2016
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5TXC
 | | AtxE2 Isopeptidase - APO | | Descriptor: | AtxE2 | | Authors: | Chekan, J.R, Nair, S.K. | | Deposit date: | 2016-11-16 | | Release date: | 2016-12-21 | | Last modified: | 2017-01-04 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Structure of the Lasso Peptide Isopeptidase Identifies a Topology for Processing Threaded Substrates.
J. Am. Chem. Soc., 138, 2016
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5U4R
 | | Crystal structure of the broadly neutralizing Influenza A antibody VRC 315 53-1A09 Fab. | | Descriptor: | VRC 315 53-1A09 Fab Heavy chain, VRC 315 53-1A09 Fab Light chain | | Authors: | Joyce, M.G, Andrews, S.F, Mascola, J.R, McDermott, A.B, Kwong, P.D. | | Deposit date: | 2016-12-05 | | Release date: | 2017-11-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.762 Å) | | Cite: | Preferential induction of cross-group influenza A hemagglutinin stem-specific memory B cells after H7N9 immunization in humans.
Sci Immunol, 2, 2017
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5TPX
 | | Bromodomain from Plasmodium Faciparum Gcn5, complexed with compound | | Descriptor: | (1S,2S)-N~1~,N~1~-dimethyl-N~2~-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-phenylpropane-1,2-diamine, CHLORIDE ION, Histone acetyltransferase GCN5, ... | | Authors: | Lin, Y.H, Hou, C.F.D, MOUSTAKIM, M, DIXON, D.J, Loppnau, P, Tempel, W, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, BRENNAN, P.E, Walker, J.R, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-10-21 | | Release date: | 2017-01-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of a PCAF Bromodomain Chemical Probe.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5T01
 | | Human c-Jun DNA binding domain homodimer in complex with methylated DNA | | Descriptor: | DNA (5'-D(*AP*AP*TP*GP*GP*AP*(5CM)P*GP*AP*GP*TP*CP*AP*TP*AP*GP*GP*AP*G)-3'), DNA (5'-D(P*CP*TP*CP*CP*TP*AP*TP*GP*AP*CP*TP*CP*GP*TP*CP*CP*AP*T)-3'), Transcription factor AP-1 | | Authors: | Hong, S, Horton, J.R, Cheng, X. | | Deposit date: | 2016-08-15 | | Release date: | 2017-03-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Methyl-dependent and spatial-specific DNA recognition by the orthologous transcription factors human AP-1 and Epstein-Barr virus Zta.
Nucleic Acids Res., 45, 2017
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5SV3
 | | RTA1-33/44-198 (RVEC) bound to Single Domain Antibody A3C8 | | Descriptor: | Anti-Ricin A-chain Single Domain Antibody (sdAb) A3C8, Ricin, SULFATE ION | | Authors: | Compton, J.R, Legler, P.M. | | Deposit date: | 2016-08-04 | | Release date: | 2016-10-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Stability of isolated antibody-antigen complexes as a predictive tool for selecting toxin neutralizing antibodies.
MAbs, 9, 2017
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5TBS
 | | Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase complexed with adenine | | Descriptor: | ADENINE, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase | | Authors: | Faheem, M, Torini, J.R, Romanello, L, Brandao-Neto, J, Pereira, H.M. | | Deposit date: | 2016-09-13 | | Release date: | 2017-10-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs.
PLoS ONE, 13, 2018
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5T6K
 | | Crystal Structure of TgCDPK1 From Toxoplasma Gondii complexed with GW780159X | | Descriptor: | 4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine, Calmodulin-domain protein kinase 1, UNKNOWN ATOM OR ION | | Authors: | Jiang, D.Q, Tempel, W, Walker, J.R, El Bakkouri, M, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Osman, K.T, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-09-01 | | Release date: | 2016-11-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of CDPK1 from toxoplasma gondii complexed with SGC-1-19
to be published
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5T8I
 | | PI3Kdelta in complex with the inhibitor GS-9901 | | Descriptor: | 2,4-diamino-6-{[(S)-[5-chloro-8-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazolin-2-yl](cyclopropyl)methyl]amino}pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Somoza, J.R, Villasenor, A. | | Deposit date: | 2016-09-07 | | Release date: | 2016-12-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The Discovery of GS-9901: A Potent, Selective and Metabolically Stable Inhibitor of PI3Kd
To Be Published
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5TCM
 | | First Bromodomain from Leishmania donovani LdBPK.091320 complexed with BI-2536 | | Descriptor: | 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Uncharacterized protein | | Authors: | Lin, Y.H, Hou, C.F.D, Loppnau, P, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-09-15 | | Release date: | 2016-10-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | First Bromodomain from Leishmania donovani LdBPK.091320 complexed with BI-2536
To be published
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5UDA
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5U9N
 | | Second Bromodomain of cdg4_1340 from Cryptosporidium parvum, complexed with bromosporine | | Descriptor: | Bromo domain containing protein, Bromosporine, SULFATE ION | | Authors: | Hou, C.F.D, Lin, Y.H, Loppnau, P, Hutchinson, A, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-12-16 | | Release date: | 2017-01-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Second Bromodomain of cdg4_1340 from Cryptosporidium parvum, complexed with bromosporine
To be published
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5U57
 | | Psf4 in complex with Fe2+ and (S)-2-HPP | | Descriptor: | (S)-2-HYDROXYPROPYLPHOSPHONIC ACID, (S)-2-hydroxypropylphosphonic acid epoxidase, FE (III) ION | | Authors: | Chekan, J.R, Nair, S.K. | | Deposit date: | 2016-12-06 | | Release date: | 2017-01-04 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Characterization of Two Late-Stage Enzymes Involved in Fosfomycin Biosynthesis in Pseudomonads.
ACS Chem. Biol., 12, 2017
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5UFG
 | | Crystal Structure of CYP2B6 (Y226H/K262R/I114V) in complex with myrtenyl bromide | | Descriptor: | (1S,5R)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | | Authors: | Shah, M.B, Halpert, J.R. | | Deposit date: | 2017-01-04 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity.
ACS Chem. Biol., 12, 2017
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5U3I
 | | CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT compound 31 | | Descriptor: | 2-methoxy-5-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)pyridine-4-carbaldehyde, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | | Authors: | Partridge, J.R, Choy, R.M, Li, Z, Metcalf, B. | | Deposit date: | 2016-12-02 | | Release date: | 2017-02-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin.
ACS Med Chem Lett, 8, 2017
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5TRE
 | | Zinc and the Iron Donor Frataxin Regulate Oligomerization of the Scaffold Protein to Form New Fe-S Cluster Assembly Centers | | Descriptor: | Frataxin homolog, mitochondrial, Iron sulfur cluster assembly protein 1 | | Authors: | Ranatunga, W, Gakh, O, Galeano, B.K, Smith IV, D.Y, Thompson, J.R, Isaya, G. | | Deposit date: | 2016-10-26 | | Release date: | 2017-06-07 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (15.6 Å) | | Cite: | Zinc and the iron donor frataxin regulate oligomerization of the scaffold protein to form new Fe-S cluster assembly centers.
Metallomics, 9, 2017
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5TXT
 | | Structure of asymmetric apo/holo ALAS dimer from S. cerevisiae | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, 5-aminolevulinate synthase, mitochondrial, ... | | Authors: | Brown, B.L, Grant, R.A, Kardon, J.R, Sauer, R.T, Baker, T.A. | | Deposit date: | 2016-11-17 | | Release date: | 2018-03-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of the Mitochondrial Aminolevulinic Acid Synthase, a Key Heme Biosynthetic Enzyme.
Structure, 26, 2018
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5U55
 | | Psf4 in complex with Mn2+ and (S)-2-HPP | | Descriptor: | (S)-2-HYDROXYPROPYLPHOSPHONIC ACID, (S)-2-hydroxypropylphosphonic acid epoxidase, MANGANESE (II) ION | | Authors: | Chekan, J.R, Nair, S.K. | | Deposit date: | 2016-12-06 | | Release date: | 2017-01-04 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Characterization of Two Late-Stage Enzymes Involved in Fosfomycin Biosynthesis in Pseudomonads.
ACS Chem. Biol., 12, 2017
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5U5D
 | | Psf4 in complex with Mn2+ and (R)-2-HPP | | Descriptor: | (S)-2-hydroxypropylphosphonic acid epoxidase, MANGANESE (II) ION, [(2R)-2-hydroxypropyl]phosphonic acid | | Authors: | Chekan, J.R, Nair, S.K. | | Deposit date: | 2016-12-06 | | Release date: | 2017-01-04 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Characterization of Two Late-Stage Enzymes Involved in Fosfomycin Biosynthesis in Pseudomonads.
ACS Chem. Biol., 12, 2017
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5TFD
 | | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with CTP | | Descriptor: | CYTIDINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | | Authors: | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | | Deposit date: | 2016-09-24 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.891 Å) | | Cite: | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
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5TCK
 | | Second Bromodomain from Leishmania donovani LdBPK.091320 complexed with Bromosporine | | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, Bromosporine, ... | | Authors: | Lin, L.-H, Hou, C.F.D, Loppnau, P, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-09-15 | | Release date: | 2016-11-09 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Second Bromodomain from Leishmania donovani LdBPK.091320 complexed with Bromosporine
To Be Published
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5TKR
 | | Crystal structure of a Lipomyces starkeyi levoglucosan kinase G359R mutant | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Levoglucosan kinase, MAGNESIUM ION, ... | | Authors: | Bacik, J.P, Klesmith, J.R, Michalczyk, R, Whitehead, T.A. | | Deposit date: | 2016-10-07 | | Release date: | 2017-02-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Trade-offs between enzyme fitness and solubility illuminated by deep mutational scanning.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5TFB
 | | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with 7-methyl-GTP | | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | | Authors: | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | | Deposit date: | 2016-09-24 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
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