5D1D
 
 | | Crystal structure of P91L-Y306F HDAC8 in complex with a tetrapeptide substrate | | Descriptor: | HDAC8 Fluor de Lys tetrapeptide substrate, Histone deacetylase 8, POTASSIUM ION, ... | | Authors: | Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W. | | Deposit date: | 2015-08-04 | | Release date: | 2015-10-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.011 Å) | | Cite: | Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders.
Biochemistry, 54, 2015
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6U2H
 | | BRAF dimer bound to 14-3-3 | | Descriptor: | 14-3-3 protein zeta/delta, 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, Serine/threonine-protein kinase B-raf | | Authors: | Liau, N.P.D, Hymowitz, S.G, Sudhamsu, J. | | Deposit date: | 2019-08-19 | | Release date: | 2019-08-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Negative regulation of RAF kinase activity by ATP is overcome by 14-3-3-induced dimerization.
Nat.Struct.Mol.Biol., 27, 2020
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5D1J
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8Q4L
 | | GBP1 bound by 14-3-3sigma | | Descriptor: | 14-3-3 protein sigma, Guanylate-binding protein 1 | | Authors: | Pfleiderer, M.M, Liu, X, Fisch, D, Anastasakou, E, Frickel, E.M, Galej, W.P. | | Deposit date: | 2023-08-07 | | Release date: | 2023-10-11 | | Last modified: | 2023-10-18 | | Method: | ELECTRON MICROSCOPY (5.12 Å) | | Cite: | PIM1 controls GBP1 activity to limit self-damage and to guard against pathogen infection.
Science, 382, 2023
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8URV
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5A0B
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | Descriptor: | (4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | | Deposit date: | 2015-04-17 | | Release date: | 2015-08-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
ChemMedChem, 10, 2015
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6C16
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7JT4
 | | Crystal Structure of BPTF bromodomain labelled with 5-fluoro-tryptophan | | Descriptor: | Nucleosome-remodeling factor subunit BPTF | | Authors: | Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | | Deposit date: | 2020-08-17 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Selectivity, ligand deconstruction, and cellular activity analysis of a BPTF bromodomain inhibitor
Org.Biomol.Chem., 17, 2019
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1J7V
 | | HUMAN IL-10 / IL-10R1 COMPLEX | | Descriptor: | INTERLEUKIN-10, INTERLEUKIN-10 RECEPTOR ALPHA CHAIN | | Authors: | Josephson, K, Logsdon, N, Walter, M.R. | | Deposit date: | 2001-05-18 | | Release date: | 2001-09-19 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of the IL-10/IL-10R1 complex reveals a shared receptor binding site.
Immunity, 15, 2001
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5BTV
 | | Crystal structure of human 14-3-3 sigma in complex with a Tau-protein peptide surrounding pS324 | | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Ottmann, C, Schumacher, B, Bartel, M. | | Deposit date: | 2015-06-03 | | Release date: | 2016-07-20 | | Last modified: | 2019-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Involvement of 14-3-3 in tubulin instability and impaired axon development is mediated by Tau.
Faseb J., 29, 2015
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3MSX
 | | Crystal structure of RhoA.GDP.MgF3 in complex with GAP domain of ArhGAP20 | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 20, ... | | Authors: | Utepbergenov, D, Cooper, D.R, Derewenda, U, Derewenda, Z.S. | | Deposit date: | 2010-04-29 | | Release date: | 2011-03-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Mechanism of molecular specificity of RhoGAP domains towards small GTPases of RhoA family.
To be Published
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5BK4
 | | Cryo-EM structure of Mcm2-7 double hexamer on dsDNA | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (60-mer), strand 1, ... | | Authors: | Li, H, Yuan, Z, Bai, L. | | Deposit date: | 2017-09-12 | | Release date: | 2017-10-25 | | Last modified: | 2020-01-08 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Cryo-EM structure of Mcm2-7 double hexamer on DNA suggests a lagging-strand DNA extrusion model.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6UXX
 | | PRMT5:MEP50 Complexed with Allosteric Inhibitor Compound 1a | | Descriptor: | (5R)-2-amino-5-(4-methoxyphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-yl]-3,5-dihydro-4H-imidazol-4-one, Methylosome protein 50, Protein arginine N-methyltransferase 5 | | Authors: | Palte, R.L, Schneider, S.E. | | Deposit date: | 2019-11-08 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5).
Acs Med.Chem.Lett., 11, 2020
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6V0P
 | | PRMT5 complex bound to covalent PBM inhibitor BRD6711 | | Descriptor: | 2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | McMillan, B.J, McKinney, D.C. | | Deposit date: | 2019-11-19 | | Release date: | 2020-11-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Discovery of a First-in-Class Inhibitor of the PRMT5-Substrate Adaptor Interaction.
J.Med.Chem., 64, 2021
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5L6Y
 | | il13 in complex with tralokinumab | | Descriptor: | FORMIC ACID, Interleukin-13, tralokinumab FAb digest VH, ... | | Authors: | Breed, J. | | Deposit date: | 2016-06-01 | | Release date: | 2016-12-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structural Characterisation Reveals Mechanism of IL-13-Neutralising Monoclonal Antibody Tralokinumab as Inhibition of Binding to IL-13R alpha 1 and IL-13R alpha 2.
J. Mol. Biol., 429, 2017
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6WJ3
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7KJS
 | | Crystal structure of CDK2/cyclin E in complex with PF-06873600 | | Descriptor: | 6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | Authors: | McTigue, M.A, He, Y, Ferre, R.A. | | Deposit date: | 2020-10-26 | | Release date: | 2021-06-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.187 Å) | | Cite: | Discovery of PF-06873600, a CDK2/4/6 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 64, 2021
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4PS4
 | | Crystal structure of the complex between IL-13 and M1295 FAB | | Descriptor: | Interleukin-13, M1295 HEAVY CHAIN, M1295 LIGHT CHAIN | | Authors: | Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L. | | Deposit date: | 2014-03-06 | | Release date: | 2014-03-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Human Framework Adaptation of a Mouse Anti-Human Il-13 Antibody.
J.Mol.Biol., 398, 2010
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1ILK
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5BRO
 | | Crystal structure of modified HexB (modB) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase subunit beta, FORMIC ACID, ... | | Authors: | Kitakaze, K, Maita, N, Itoh, K. | | Deposit date: | 2015-06-01 | | Release date: | 2016-05-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Protease-resistant modified human beta-hexosaminidase B ameliorates symptoms in GM2 gangliosidosis model.
J.Clin.Invest., 126, 2016
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7LQY
 | | Structure of squirrel TRPV1 in apo state | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoinositol, CHLORIDE ION, ... | | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | Deposit date: | 2021-02-15 | | Release date: | 2021-04-21 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Extracellular cap domain is an essential component of the TRPV1 gating mechanism.
Nat Commun, 12, 2021
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2ZOC
 | | Crystal structure of recombinant human annexin IV | | Descriptor: | Annexin A4, CALCIUM ION | | Authors: | Konno, M, Kaneko-Kanzaki, Y, Fushinobu-Okushi, N, Mochizuki, K, Uchikaw, E, Satoh, A, Aikawa, K. | | Deposit date: | 2008-05-08 | | Release date: | 2009-04-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The comparison of the loop structure of membrane binding sites between human and bovine annexin IV
To be Published
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7LR0
 | | Structure of squirrel TRPV1 in complex with capsaicin | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide, Osm-9-like TRP channel 1, ... | | Authors: | Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I. | | Deposit date: | 2021-02-15 | | Release date: | 2021-04-21 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.81 Å) | | Cite: | Extracellular cap domain is an essential component of the TRPV1 gating mechanism.
Nat Commun, 12, 2021
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2B01
 | | Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Taurochenodeoxycholate | | Descriptor: | CALCIUM ION, CHLORIDE ION, Phospholipase A2, ... | | Authors: | Pan, Y.H, Bahnson, B.J, Jain, M.K. | | Deposit date: | 2005-09-12 | | Release date: | 2006-11-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for bile salt inhibition of pancreatic phospholipase A2.
J.Mol.Biol., 369, 2007
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2AZZ
 | | Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Taurocholate | | Descriptor: | CALCIUM ION, CHLORIDE ION, Phospholipase A2, ... | | Authors: | Pan, Y.H, Bahnson, B.J, Jain, M.K. | | Deposit date: | 2005-09-12 | | Release date: | 2006-11-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for bile salt inhibition of pancreatic phospholipase A2.
J.Mol.Biol., 369, 2007
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