5GTR
 
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7RY9
 | | S. CEREVISIAE CYP51 I471T mutant COMPLEXED WITH Voriconazole | | Descriptor: | Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, TETRAETHYLENE GLYCOL, ... | | Authors: | Graham, D.O, Wilson, R.K, Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C. | | Deposit date: | 2021-08-24 | | Release date: | 2021-09-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Insights into the Azole Resistance of the Candida albicans Darlington Strain Using Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase as a Surrogate.
J Fungi (Basel), 7, 2021
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6YRD
 | | SFX structure of dye-type peroxidase DtpB in the ferryl state | | Descriptor: | MAGNESIUM ION, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Lucic, M, Axford, D.A, Owen, R.L, Worrall, J.A.R, Hough, M.A. | | Deposit date: | 2020-04-20 | | Release date: | 2021-01-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Serial Femtosecond Zero Dose Crystallography Captures a Water-Free Distal Heme Site in a Dye-Decolorising Peroxidase to Reveal a Catalytic Role for an Arginine in Fe IV =O Formation.
Angew.Chem.Int.Ed.Engl., 59, 2020
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5A7J
 | | Crystal structure of INPP5B in complex with benzene 1,2,4,5- tetrakisphosphate | | Descriptor: | (2,4,5-triphosphonooxyphenyl) dihydrogen phosphate, GLYCEROL, SULFATE ION, ... | | Authors: | Tresaugues, L, Mills, S.J, Silvander, C, Cozier, G, Potter, B.V.L, Nordlund, P. | | Deposit date: | 2015-07-06 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structures of Type-II Inositol Polyphosphate 5-Phosphatase Inpp5B with Synthetic Inositol Polyphosphate Surrogates Reveal New Mechanistic Insights for the Inositol 5-Phosphatase Family.
Biochemistry, 55, 2016
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6YDX
 | | Insulin-regulated aminopeptidase complexed with a macrocyclic peptidic inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-[2-[[[(4~{R},8~{S},11~{S})-11-azanyl-8-[(4-hydroxyphenyl)methyl]-6,10-bis(oxidanylidene)-1,2-dithia-5,9-diazacyclotridec-4-yl]carbonylamino]methyl]phenyl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Mpakali, A, Saridakis, E, Giastas, P, Stratikos, E. | | Deposit date: | 2020-03-21 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural Basis of Inhibition of Insulin-Regulated Aminopeptidase by a Macrocyclic Peptidic Inhibitor.
Acs Med.Chem.Lett., 11, 2020
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6YI8
 | | HUMAN FGFR4 KINASE DOMAIN (447-753) IN COMPLEX WITH ROBLITINIB | | Descriptor: | Fibroblast growth factor receptor 4, N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide, SULFATE ION | | Authors: | Ostermann, N. | | Deposit date: | 2020-04-01 | | Release date: | 2020-09-30 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Discovery of Roblitinib (FGF401) as a Reversible-Covalent Inhibitor of the Kinase Activity of Fibroblast Growth Factor Receptor 4.
J.Med.Chem., 63, 2020
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6YL6
 | | Cdk2(F80C) | | Descriptor: | Cyclin-dependent kinase 2 | | Authors: | Craven, G, Morgan, R.M.L, Mann, D.J. | | Deposit date: | 2020-04-06 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT).
Chembiochem, 21, 2020
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2XNI
 | | Protein-ligand complex of a novel macrocyclic HCV NS3 protease inhibitor derived from amino cyclic boronates | | Descriptor: | (1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-), MAGNESIUM ION, NS3 PROTEASE, ... | | Authors: | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Zhou, Y, Li, Q, Plattner, J.J, Baker, S.J, Zhang, S, Kazmierski, W.M, Wright, L.L, Smith, G.K, Grimes, R.M, Crosby, R.M, Creech, K.L, Carballo, L.H, Slater, M.J, Jarvest, R.L, Thommes, P, Hubbard, J.A, Convery, M.A, Nassau, P.M, McDowell, W, Skarzynski, T.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, Pennicott, L.E, Zou, W, Wright, J. | | Deposit date: | 2010-08-02 | | Release date: | 2011-08-17 | | Last modified: | 2012-09-26 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Novel Macrocyclic Hcv Ns3 Protease Inhibitors Derived from Alpha-Amino Cyclic Boronates.
Bioorg.Med.Chem.Lett., 20, 2010
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6YQG
 | | Crystal structure of native Phycocyanin in spacegroup P63 at 1.45 Angstroms. | | Descriptor: | C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN, ... | | Authors: | Feiler, C.G, Falke, S, Sarrou, I. | | Deposit date: | 2020-04-17 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | C-phycocyanin as a highly attractive model system in protein crystallography: unique crystallization properties and packing-diversity screening.
Acta Crystallogr D Struct Biol, 77, 2021
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5D1C
 | | Crystal structure of D233G-Y306F HDAC8 in complex with a tetrapeptide substrate | | Descriptor: | GLYCEROL, HDAC8 Fluor de Lys tetrapeptide substrate, Histone deacetylase 8, ... | | 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 (1.422 Å) | | Cite: | Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders.
Biochemistry, 54, 2015
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7SK1
 | | TWIK1 in MSP1E3D1 Lipid Nanodisc at pH 5.5 | | Descriptor: | N-OCTANE, POTASSIUM ION, Potassium channel subfamily K member 1, ... | | Authors: | Turney, T.S, Brohawn, S.G. | | Deposit date: | 2021-10-19 | | Release date: | 2021-11-24 | | Last modified: | 2022-06-22 | | Method: | ELECTRON MICROSCOPY (3.43 Å) | | Cite: | Structural Basis for pH-gating of the K + channel TWIK1 at the selectivity filter.
Nat Commun, 13, 2022
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5WKG
 | | Crystal Structure of Human CD1b in Complex with PA | | Descriptor: | (2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Shahine, A, Gras, S, Rossjohn, J. | | Deposit date: | 2017-07-25 | | Release date: | 2017-11-01 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | A molecular basis of human T cell receptor autoreactivity toward self-phospholipids.
Sci Immunol, 2, 2017
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5DC8
 | | Crystal structure of H142A-Y306F HDAC8 in complex with a tetrapeptide substrate | | Descriptor: | Fluor-de-Lys tetrapeptide assay substrate, GLYCEROL, Histone deacetylase 8, ... | | Authors: | Decroos, C, Lee, M.S, Christianson, D.W. | | Deposit date: | 2015-08-23 | | Release date: | 2016-02-03 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | General Base-General Acid Catalysis in Human Histone Deacetylase 8.
Biochemistry, 55, 2016
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7N1A
 | | SARS-CoV-2 YLQ peptide binds to HLA-A2 | | Descriptor: | Beta-2-microglobulin, MHC class I antigen, A-2 alpha chain, ... | | Authors: | Wu, D, Mariuzza, R.A. | | Deposit date: | 2021-05-27 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.065 Å) | | Cite: | Structural assessment of HLA-A2-restricted SARS-CoV-2 spike epitopes recognized by public and private T-cell receptors.
Nat Commun, 13, 2022
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5WL1
 | | Crystal Structure of Human CD1b in Complex with PG | | Descriptor: | (19S,22R,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ... | | Authors: | Shahine, A, Gras, S, Rossjohn, J. | | Deposit date: | 2017-07-25 | | Release date: | 2017-11-01 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | A molecular basis of human T cell receptor autoreactivity toward self-phospholipids.
Sci Immunol, 2, 2017
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3BOL
 | | Cobalamin-dependent methionine synthase (1-566) from Thermotoga maritima complexed with Zn2+ | | Descriptor: | 2-AMINO-4-MERCAPTO-BUTYRIC ACID, 5-methyltetrahydrofolate S-homocysteine methyltransferase, POTASSIUM ION, ... | | Authors: | Koutmos, M, Smith, J.L, Ludwig, M.L. | | Deposit date: | 2007-12-17 | | Release date: | 2008-03-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Metal active site elasticity linked to activation of homocysteine in methionine synthases.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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2XZ1
 | | The Structure of the 2:2 (Fully Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean) and Acyl Carrier Protein. | | Descriptor: | (2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide, ACYL CARRIER PROTEIN 1, CHLOROPLASTIC, ... | | Authors: | Guy, J.E, Moche, M, Whittle, E, Lengqvist, J, Shanklin, J, Lindqvist, Y. | | Deposit date: | 2010-11-22 | | Release date: | 2011-09-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Remote Control of Regioselectivity in Acyl-Acyl Carrier Protein-Desaturases.
Proc.Natl.Acad.Sci.USA, 108, 2011
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5FKP
 | | Crystal structure of the mouse CD1d in complex with the p99 peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIGEN-PRESENTING GLYCOPROTEIN CD1D1, BETA 2 MICROGLOBULIN, ... | | Authors: | Girardi, E, Wang, J, Zajonc, D.M. | | Deposit date: | 2015-10-18 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of an Alpha-Helical Peptide and Lipopeptide Bound to the Non-Classical Mhc Class I Molecule Cd1D
J.Biol.Chem., 291, 2016
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7SI6
 | | Structure of ATP7B in state 1 | | Descriptor: | MAGNESIUM ION, P-type Cu(+) transporter, TETRAFLUOROALUMINATE ION | | Authors: | Bitter, R.M, Oh, S.C, Hite, R.K, Yuan, P. | | Deposit date: | 2021-10-12 | | Release date: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | Structure of the Wilson disease copper transporter ATP7B.
Sci Adv, 8, 2022
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7SI7
 | | Structure of ATP7B in state 2 | | Descriptor: | MAGNESIUM ION, P-type Cu(+) transporter, TETRAFLUOROALUMINATE ION | | Authors: | Bitter, R.M, Oh, S.C, Hite, R.K, Yuan, P. | | Deposit date: | 2021-10-12 | | Release date: | 2022-03-16 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.49 Å) | | Cite: | Structure of the Wilson disease copper transporter ATP7B.
Sci Adv, 8, 2022
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7SI3
 | | Consensus structure of ATP7B | | Descriptor: | MAGNESIUM ION, P-type Cu(+) transporter, TETRAFLUOROALUMINATE ION | | Authors: | Bitter, R.M, Oh, S.C, Hite, R.K, Yuan, P. | | Deposit date: | 2021-10-12 | | Release date: | 2022-03-16 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Structure of the Wilson disease copper transporter ATP7B.
Sci Adv, 8, 2022
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3BOF
 | | Cobalamin-dependent methionine synthase (1-566) from Thermotoga maritima complexed with Zn2+ and Homocysteine | | Descriptor: | 2-AMINO-4-MERCAPTO-BUTYRIC ACID, 5-methyltetrahydrofolate S-homocysteine methyltransferase, POTASSIUM ION, ... | | Authors: | Koutmos, M, Smith, J.L, Ludwig, M.L. | | Deposit date: | 2007-12-17 | | Release date: | 2008-03-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Metal active site elasticity linked to activation of homocysteine in methionine synthases.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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3BKV
 | | X-ray structure of the bacteriophage phiKZ lytic transglycosylase, gp144, in complex with chitotetraose, (NAG)4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NICKEL (II) ION, SULFATE ION, ... | | Authors: | Fokine, A, Miroshnikov, K.A, Shneider, M.M, Mesyanzhinov, V.V, Rossmann, M.G. | | Deposit date: | 2007-12-07 | | Release date: | 2008-01-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of the bacteriophage phi KZ lytic transglycosylase gp144.
J.Biol.Chem., 283, 2008
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4NEY
 | | Crystal Structure of an engineered protein with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR277 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Engineered protein OR277, tetrabutylphosphonium | | Authors: | Guan, R, Lin, Y.-R, Koga, N, Koga, R, Castellanos, J, Seetharaman, J, Maglaqui, M, Sahdev, S, Mao, L, Xiao, R, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-10-30 | | Release date: | 2014-01-15 | | Method: | X-RAY DIFFRACTION (2.323 Å) | | Cite: | Northeast Structural Genomics Consortium Target OR277
To be published
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4PV8
 | | Crystal Structure of H2Kb-Q600F complex | | Descriptor: | ACETATE ION, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | | Authors: | Twist, K.-A, Rossjohn, J, Gras, S. | | Deposit date: | 2014-03-15 | | Release date: | 2014-04-23 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structural and functional correlates of enhanced antiviral immunity generated by heteroclitic CD8 T cell epitopes.
J.Immunol., 192, 2014
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