4GZP
 
 | | N2 Neuraminidase of A/Tanzania/205/2010 H3N2 in complex with oseltamivir carboxylate | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhu, X, Wilson, I.A. | | Deposit date: | 2012-09-06 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Influenza virus neuraminidases with reduced enzymatic activity that avidly bind sialic Acid receptors.
J.Virol., 86, 2012
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5J8X
 | | CRYSTAL STRUCTURE OF E. COLI PBP5 WITH 2C | | Descriptor: | (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, D-alanyl-D-alanine carboxypeptidase DacA | | Authors: | Brem, J, Cain, R, McDonough, M.A, Clifton, I.J, Fishwick, C.W.G, Schofield, C.J. | | Deposit date: | 2016-04-08 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates.
Nat Commun, 7, 2016
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7N3F
 | | Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C080 | | Descriptor: | C080 Fab Heavy Chain, C080 Fab Light Chain | | Authors: | Flyak, A.I, Bjorkman, P.J, Barnes, C.O. | | Deposit date: | 2021-06-01 | | Release date: | 2021-08-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Immunity, 54, 2021
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3HR4
 | | Human iNOS Reductase and Calmodulin Complex | | Descriptor: | CALCIUM ION, Calmodulin, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Xia, C, Misra, I, Iyanaki, T, Kim, J.J.K. | | Deposit date: | 2009-06-08 | | Release date: | 2009-09-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Regulation of Interdomain Interactions by CaM in Inducible Nitric Oxide Synthase
J.Biol.Chem., 2009
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7N3H
 | | Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C099 | | Descriptor: | C099 Fab Heavy Chain, C099 Fab Light Chain | | Authors: | Flyak, A.I, Bjorkman, P.J, Barnes, C.O. | | Deposit date: | 2021-06-01 | | Release date: | 2021-08-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Immunity, 54, 2021
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4JL0
 | | Crystal structure of PcrH in complex with the chaperone binding region of PopB | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PopB, Regulatory protein PcrH | | Authors: | Discola, K.F, Forster, A, Simorre, J.P, Attree, I, Dessen, A, Job, V. | | Deposit date: | 2013-03-12 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Membrane and Chaperone Recognition by the Major Translocator Protein PopB of the Type III Secretion System of Pseudomonas aeruginosa.
J.Biol.Chem., 289, 2014
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7N3I
 | | Crystal structure of the SARS-CoV-2 receptor binding domain in complex with the human neutralizing antibody Fab fragment C098 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C098 Fab heavy chain, C098 Fab light chain, ... | | Authors: | Flyak, A.I, Bjorkman, P.J, Barnes, C.O. | | Deposit date: | 2021-06-01 | | Release date: | 2021-08-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Immunity, 54, 2021
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4GQT
 | | N-terminal domain of C. elegans Hsp90 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Heat shock protein 90, ZINC ION | | Authors: | Osipiuk, J, Chhor, G, Gu, M, Van Oosten-Hawle, P, Morimoto, R.I, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-08-23 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | N-terminal domain of C. elegans Hsp90
To be Published
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4JM9
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 3-amino-1-methylpyridinium | | Descriptor: | 1-METHYL-1,6-DIHYDROPYRIDIN-3-AMINE, Cytochrome c peroxidase, IODIDE ION, ... | | Authors: | Boyce, S.E, Fischer, M, Fish, I. | | Deposit date: | 2013-03-13 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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7ZJK
 | | CspZ (BbCRASP-2) from Borrelia burgdorferi strain B408 | | Descriptor: | CspZ | | Authors: | Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P. | | Deposit date: | 2022-04-11 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural evolution of an immune evasion determinant shapes pathogen host tropism.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7ZJJ
 | | CspZ (BbCRASP-2) from Borrelia burgdorferi strain B379 | | Descriptor: | CspZ, NITRATE ION | | Authors: | Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P. | | Deposit date: | 2022-04-11 | | Release date: | 2023-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural evolution of an immune evasion determinant shapes pathogen host tropism.
Proc.Natl.Acad.Sci.USA, 120, 2023
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3IHZ
 | | Crystal structure of the FK506 binding domain of Plasmodium vivax FKBP35 in complex with FK506 | | Descriptor: | 70 kDa peptidylprolyl isomerase, putative, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN | | Authors: | Qureshi, I.A, Alag, R, Yoon, H.S, Lescar, J. | | Deposit date: | 2009-07-31 | | Release date: | 2010-06-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | NMR and crystallographic structures of the FK506 binding domain of human malarial parasite Plasmodium vivax FKBP35
Protein Sci., 19, 2010
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2X1N
 | | Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design | | Descriptor: | 2-METHYL-N-[(1Z)-3-NITROCYCLOHEXA-2,4-DIEN-1-YLIDENE]-4,5-DIHYDRO[1,3]THIAZOLO[4,5-H]QUINAZOLIN-8-AMINE, ACE-LEU-ASN-PFF-NH2, CELL DIVISION PROTEIN KINASE 2, ... | | Authors: | Kontopidis, G, Andrews, M.J, McInnes, C, Plater, A, Innes, L, Renachowski, S, Cowan, A, Fischer, P.M, McIntyre, N.A, Griffiths, G, Barnett, A.L, Slawin, A.M.Z, Jackson, W, Thomas, M, Zheleva, D.I, Wang, S, Blake, D.G, Westwood, N.J. | | Deposit date: | 2009-12-31 | | Release date: | 2010-02-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Design, Synthesis, and Evaluation of 2-Methyl- and 2-Amino-N-Aryl-4,5-Dihydrothiazolo[4,5-H]Quinazolin-8-Amines as Ring-Constrained 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Cyclin-Dependent Kinase Inhibitors.
J.Med.Chem., 53, 2010
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5J4M
 | | Crystal structure of shaft pilin SpaA from Lactobacillus rhamnosus GG - E269A/D295N double mutant | | Descriptor: | Cell surface protein SpaA | | Authors: | Chaurasia, P, Pratap, S, von Ossowski, I, Palva, A, Krishnan, V. | | Deposit date: | 2016-04-01 | | Release date: | 2016-07-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | New insights about pilus formation in gut-adapted Lactobacillus rhamnosus GG from the crystal structure of the SpaA backbone-pilin subunit
Sci Rep, 6, 2016
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1TTK
 | | NMR solution structure of omega-conotoxin MVIIA, a N-type calcium channel blocker | | Descriptor: | Omega-conotoxin MVIIa | | Authors: | Adams, D.J, Smith, A.B, Schroeder, C.I, Yasuda, T, Lewis, R.J. | | Deposit date: | 2004-06-22 | | Release date: | 2004-07-06 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | omega-conotoxin CVID inhibits a pharmacologically distinct voltage-sensitive calcium channel associated with transmitter release from preganglionic nerve terminals
J.Biol.Chem., 278, 2003
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4L1T
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5J75
 | | Fluorogen Activating Protein AM2.2 in complex with ML342 | | Descriptor: | N,4-dimethyl-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}benzene-1-sulfonamide, PHOSPHATE ION, scFv AM2.2 | | Authors: | Stanfield, R.L, Wilson, I.A, Wu, Y. | | Deposit date: | 2016-04-05 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Small-Molecule Nonfluorescent Inhibitors of Fluorogen-Fluorogen Activating Protein Binding Pair.
J Biomol Screen, 21, 2016
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6GHA
 | | USP15 catalytic domain structure | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 15,Ubiquitin carboxyl-terminal hydrolase 15, ZINC ION | | Authors: | Ward, S.J, Gratton, H.E, Caulton, S.G, Emsley, J, Dreveny, I. | | Deposit date: | 2018-05-06 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | The structure of the deubiquitinase USP15 reveals a misaligned catalytic triad and an open ubiquitin-binding channel.
J. Biol. Chem., 293, 2018
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5JXK
 | | Crystal structure of Porphyromonas endodontalis DPP11 | | Descriptor: | Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION | | Authors: | Bezerra, G.A, Cornaciu, I, Hoffmann, G, Djinovic-Carugo, K, Marquez, J.A. | | Deposit date: | 2016-05-13 | | Release date: | 2017-06-14 | | Last modified: | 2017-06-21 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Bacterial protease uses distinct thermodynamic signatures for substrate recognition.
Sci Rep, 7, 2017
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6AUL
 | | Artificial Metalloproteins Containing a Co4O4 Active Site - 2xm-S112Y-b | | Descriptor: | BIOTIN, Streptavidin | | Authors: | Olshansky, L, Vallapurakal, J, Huerta-Lavorie, R, Nguyen, A.I, Tilley, T.D, Borovik, A.S. | | Deposit date: | 2017-09-01 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Artificial Metalloproteins Containing Co
J. Am. Chem. Soc., 140, 2018
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8BO0
 | | Solution structure of Lqq4 toxin from Leiurus quinquestriatus quinquestriatus | | Descriptor: | Alpha-toxin Lqq4 | | Authors: | Mineev, K.S, Motov, V.V, Vassilevski, A.A, Chernykh, M.A, Kuzmenkov, A.I. | | Deposit date: | 2022-11-14 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-04 | | Method: | SOLUTION NMR | | Cite: | A scorpion toxin affecting sodium channels shows double cis-trans isomerism.
Febs Lett., 597, 2023
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5K24
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5V0S
 | | Crystal structure of the ACT domain of prephenate dehydrogenase tyrA from Bacillus anthracis | | Descriptor: | CALCIUM ION, Prephenate dehydrogenase, SULFATE ION | | Authors: | Shabalin, I.G, Hou, J, Cymborowski, M.T, Otwinowski, Z, Kwon, K, Christendat, D, Gritsunov, A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-02-28 | | Release date: | 2017-03-08 | | Last modified: | 2022-03-23 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain.
Febs J., 287, 2020
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6GWA
 | | Concanavalin B structure determined with data from the EuXFEL, the first MHz free electron laser | | Descriptor: | Concanavalin B | | Authors: | Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I. | | Deposit date: | 2018-06-22 | | Release date: | 2018-09-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Megahertz data collection from protein microcrystals at an X-ray free-electron laser.
Nat Commun, 9, 2018
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1R52
 | | Crystal structure of the bifunctional chorismate synthase from Saccharomyces cerevisiae | | Descriptor: | Chorismate synthase | | Authors: | Quevillon-Cheruel, S, Leulliot, N, Meyer, P, Graille, M, Bremang, M, Blondeau, K, Sorel, I, Poupon, A, Janin, J, van Tilbeurgh, H. | | Deposit date: | 2003-10-09 | | Release date: | 2003-12-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Crystal structure of the bifunctional chorismate synthase from Saccharomyces cerevisiae
J.Biol.Chem., 279, 2004
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