6DWX
 
 | | Crystal structure of SeMet phased viral OTU domain protease from Qalyub virus | | Descriptor: | RNA-dependent RNA polymerase | | Authors: | Dzimianski, J.V, Beldon, B.S, Daczkowski, C.M, Goodwin, O.Y, Pegan, S.D. | | Deposit date: | 2018-06-28 | | Release date: | 2018-12-19 | | Last modified: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (2.395 Å) | | Cite: | Probing the impact of nairovirus genomic diversity on viral ovarian tumor domain protease (vOTU) structure and deubiquitinase activity.
PLoS Pathog., 15, 2019
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5TG3
 | | Crystal Structure of Dioclea reflexa seed lectin (DrfL) in complex with X-Man | | Descriptor: | 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, Dioclea reflexa lectin, ... | | Authors: | Santiago, M.Q, Correia, J.L.A, Pinto-Junior, V.R, Osterne, V.J.S, Pereira, R.I, Silva-Filho, J.C, Lossio, C.F, Rocha, B.A.M, Delatorre, P, Neco, A.H.B, Araripe, D.A, Nascimento, K.S, Cavada, B.S. | | Deposit date: | 2016-09-27 | | Release date: | 2017-02-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.765 Å) | | Cite: | Structural studies of a vasorelaxant lectin from Dioclea reflexa Hook seeds: Crystal structure, molecular docking and dynamics.
Int. J. Biol. Macromol., 98, 2017
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5T7P
 | | Crystal structure of Pisum arvense lectin (PAL) complexed with X-Man | | Descriptor: | 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, Lectin, ... | | Authors: | Pinto-Junior, V.R, Santiago, M.Q, Osterne, V.J.S, Silva-Filho, J.C, Rocha, B.A.M, Delatorre, P, Nascimento, K.S, Cavada, B.S. | | Deposit date: | 2016-09-05 | | Release date: | 2017-08-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Crystal structure of Pisum arvense seed lectin (PAL) and characterization of its interaction with carbohydrates by molecular docking and dynamics.
Arch. Biochem. Biophys., 630, 2017
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6DX1
 | | Crystal structure of the viral OTU domain protease from Qalyub virus | | Descriptor: | RNA-dependent RNA polymerase | | Authors: | Dzimianski, J.V, Beldon, B.S, Daczkowski, C.M, Goodwin, O.Y, Pegan, S.D. | | Deposit date: | 2018-06-28 | | Release date: | 2018-12-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.652 Å) | | Cite: | Probing the impact of nairovirus genomic diversity on viral ovarian tumor domain protease (vOTU) structure and deubiquitinase activity.
PLoS Pathog., 15, 2019
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6DX3
 | | Crystal structure of the viral OTU domain protease from Taggert virus | | Descriptor: | MAGNESIUM ION, RNA-dependent RNA polymerase | | Authors: | Dzimianski, J.V, Beldon, B.S, Daczkowski, C.M, Goodwin, O.Y, Pegan, S.D. | | Deposit date: | 2018-06-28 | | Release date: | 2018-12-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.052 Å) | | Cite: | Probing the impact of nairovirus genomic diversity on viral ovarian tumor domain protease (vOTU) structure and deubiquitinase activity.
PLoS Pathog., 15, 2019
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6DX2
 | | Crystal structure of the viral OTU domain protease from Dera Ghazi Khan virus | | Descriptor: | RNA-dependent RNA polymerase | | Authors: | Beldon, B.S, Dzimianski, J.V, Daczkowski, C.M, Goodwin, O.Y, Pegan, S.D. | | Deposit date: | 2018-06-28 | | Release date: | 2018-12-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.614 Å) | | Cite: | Probing the impact of nairovirus genomic diversity on viral ovarian tumor domain protease (vOTU) structure and deubiquitinase activity.
PLoS Pathog., 15, 2019
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6DX5
 | | Crystal structure of the viral OTU domain protease from Farallon virus | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, RNA-dependent RNA polymerase | | Authors: | Beldon, B.S, Dzimianski, J.V, Daczkowski, C.M, Goodwin, O.Y, Pegan, S.D. | | Deposit date: | 2018-06-28 | | Release date: | 2018-12-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.224 Å) | | Cite: | Probing the impact of nairovirus genomic diversity on viral ovarian tumor domain protease (vOTU) structure and deubiquitinase activity.
PLoS Pathog., 15, 2019
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5U32
 | | Crystal Structure of Fungal RNA Kinase | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, tRNA ligase | | Authors: | Shuman, S, Goldgur, Y, Remus, B.S. | | Deposit date: | 2016-12-01 | | Release date: | 2017-11-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.191 Å) | | Cite: | Structural basis for the GTP specificity of the RNA kinase domain of fungal tRNA ligase.
Nucleic Acids Res., 45, 2017
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6EQ9
 | | Crystal structure of JNK3 in complex with AMP-PCP | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Macedo, J.T, Stehle, T, Blaum, B.S. | | Deposit date: | 2017-10-12 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38 alpha Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3.
ACS Omega, 3, 2018
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6EKD
 | | Crystal structure of JNK3 in complex with a pyridinylimidazole inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-(4-methyl-2-methylsulfanyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine, BETA-MERCAPTOETHANOL, ... | | Authors: | Macedo, J.T, Stehle, T, Blaum, B.S. | | Deposit date: | 2017-09-26 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38 alpha Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3.
ACS Omega, 3, 2018
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5TR8
 | | Crystal structure of vaccine-elicited pan- influenza H1N1 neutralizing murine antibody 441D6. | | Descriptor: | 441D6 Fab Heavy chain, 441D6 Fab Light chain, NICKEL (II) ION | | Authors: | Joyce, M.G, Kanekiyo, M, Mascola, J.R, Graham, B.S, Kwong, P.D. | | Deposit date: | 2016-10-25 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Mosaic nanoparticle display of diverse influenza virus hemagglutinins elicits broad B cell responses.
Nat.Immunol., 20, 2019
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5U38
 | | Crystal structure of native lectin from Platypodium elegans seeds (PELa) complexed with Man1-3Man-OMe. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Lectin, ... | | Authors: | Silva, I.B, Araripe, D.A, Neco, A.H.B, Pinto-Junior, V.R, Osterne, V.J.S, Santiago, M.Q, Silva-Filho, J.C, Leal, R.B, Rocha, C.R.C, Nascimento, K.S, Cavada, B.S. | | Deposit date: | 2016-12-01 | | Release date: | 2017-10-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural studies and nociceptive activity of a native lectin from Platypodium elegans seeds (nPELa).
Int. J. Biol. Macromol., 107, 2018
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5U3E
 | | Crystal Structure of Native Lectin from Canavalia bonariensis Seeds (CaBo) complexed with alpha-methyl-D-mannoside | | Descriptor: | CALCIUM ION, Canavalia bonariensis seed lectin, MANGANESE (II) ION, ... | | Authors: | Silva, M.T.L, Osterne, V.J.S, Pinto-Junior, V.R, Santiago, M.Q, Araripe, D.A, Neco, A.H.B, Silva-Filho, J.C, Martins, J.L, Rocha, C.R.C, Leal, R.B, Nascimento, K.S, Cavada, B.S. | | Deposit date: | 2016-12-02 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Canavalia bonariensis lectin: Molecular bases of glycoconjugates interaction and antiglioma potential.
Int. J. Biol. Macromol., 106, 2018
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6EMH
 | | Crystal structure of JNK3 in complex with a pyridinylimidazole inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-(4-methyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine, BETA-MERCAPTOETHANOL, ... | | Authors: | Macedo, J.T, Stehle, T, Blaum, B.S. | | Deposit date: | 2017-10-02 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38 alpha Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3.
ACS Omega, 3, 2018
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5V52
 | | Structure of TIGIT bound to nectin-2 (CD112) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Nectin-2, ... | | Authors: | Deuss, F.A, Gully, B.S, Rossjohn, J, Berry, R. | | Deposit date: | 2017-03-13 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Recognition of nectin-2 by the natural killer cell receptor T cell immunoglobulin and ITIM domain (TIGIT).
J. Biol. Chem., 292, 2017
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5V0V
 | | Crystal structure of Equine Serum Albumin complex with etodolac | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, Serum albumin, ... | | Authors: | Czub, M.P, Shabalin, I.G, Handing, K.B, Venkataramany, B.S, Steen, E.H, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-02-28 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma.
J.Med.Chem., 2020
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5V16
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5V17
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5UUY
 | | Crystal structure of Dioclea lasiocarpa lectin (DLL) complexed with X-MAN | | Descriptor: | 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, Dioclea lasiocarpa lectin (DLL), ... | | Authors: | Santiago, M.Q, Pinto-Junior, V.R, Osterne, V.J.S, Rocha, C.R.C, Neco, A.H.B, Fonseca, F.M.P, Nascimento, K.S, Cavada, B.S. | | Deposit date: | 2017-02-17 | | Release date: | 2017-10-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structural analysis of Dioclea lasiocarpa lectin: A C6 cells apoptosis-inducing protein.
Int. J. Biochem. Cell Biol., 92, 2017
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5UQD
 | | DPY-21 in complex with Fe(II) and alpha-Ketoglutarate | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-OXOGLUTARIC ACID, DumPY: shorter than wild-type, ... | | Authors: | Brejc, K, Bian, Q, Uzawa, S, Wheeler, B.S, Anderson, E.C, King, D.S, Kranzusch, P.J, Preston, C.G, Meyer, B.J. | | Deposit date: | 2017-02-07 | | Release date: | 2017-09-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Dynamic Control of X Chromosome Conformation and Repression by a Histone H4K20 Demethylase.
Cell, 171, 2017
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6GF3
 | | Tubulin-Jerantinine B acetate complex | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Smedley, C.J, Stanley, P.A, Qazzaz, M.E, Prota, A.E, Olieric, N, Collins, H, Eastman, H, Barrow, A.S, Lim, K.-H, Kam, T.-S, Smith, B.J, Duivenvoorden, H.M, Parker, B.S, Bradshaw, T.D, Steinmetz, M.O, Moses, J.E. | | Deposit date: | 2018-04-29 | | Release date: | 2019-05-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Sustainable Syntheses of (-)-Jerantinines A & E and Structural Characterisation of the Jerantinine-Tubulin Complex at the Colchicine Binding Site.
Sci Rep, 8, 2018
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4EXT
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4FQF
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4FR8
 | | Crystal structure of human aldehyde dehydrogenase-2 in complex with nitroglycerin | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Aldehyde dehydrogenase, ... | | Authors: | Lang, B.S, Gruber, K. | | Deposit date: | 2012-06-26 | | Release date: | 2012-09-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Vascular Bioactivation of Nitroglycerin by Aldehyde Dehydrogenase-2: REACTION INTERMEDIATES REVEALED BY CRYSTALLOGRAPHY AND MASS SPECTROMETRY.
J.Biol.Chem., 287, 2012
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4HCT
 | | Crystal structure of ITK in complex with compound 52 | | Descriptor: | 3-{1-[(3R)-1-acryloylpiperidin-3-yl]-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-(3-tert-butylphenyl)benzamide, Tyrosine-protein kinase ITK/TSK | | Authors: | Zapf, C.W, Gerstenberger, B.S, Xing, L, Limburg, D.C, Anderson, D.R, Caspers, N, Han, S, Aulabaugh, A, Kurumbail, R, Shakya, S, Li, X, Spaulding, V, Czerwinski, R.M, Seth, N, Medley, Q.G. | | Deposit date: | 2012-10-01 | | Release date: | 2012-11-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Covalent inhibitors of interleukin-2 inducible T cell kinase (itk) with nanomolar potency in a whole-blood assay.
J.Med.Chem., 55, 2012
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