4XJR
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![BU of 4xjr by Molmil](/molmil-images/mine/4xjr) | The catalytic mechanism of human parainfluenza virus type 3 haemagglutinin-neuraminidase revealed | Descriptor: | (6R)-2,6-anhydro-3,4,5-trideoxy-6-[(2S)-2,3-dihydroxypropanoyl]-3-fluoro-5-[(2-methylpropanoyl)amino]-4-triaza-1,2-dien -2-ium-1-yl-L-gulonic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Dirr, L, El-Deeb, I, Guillon, P, Carroux, C, Chavas, L, von Itzstein, M. | Deposit date: | 2015-01-08 | Release date: | 2015-02-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The catalytic mechanism of human parainfluenza virus type 3 haemagglutinin-neuraminidase revealed. Angew.Chem.Int.Ed.Engl., 54, 2015
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4XCR
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![BU of 4xcr by Molmil](/molmil-images/mine/4xcr) | Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, mutant I35A | Descriptor: | Superoxide dismutase [Cu-Zn] | Authors: | Wang, H, Logan, D.T, Danielsson, J, Mu, X, Binolfi, A, Theillet, F, Bekei, B, Lang, L, Wennerstrom, H, Selenko, P, Oliveberg, M. | Deposit date: | 2014-12-18 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.602 Å) | Cite: | Thermodynamics of protein destabilization in live cells. Proc. Natl. Acad. Sci. U.S.A., 112, 2015
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4XQM
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4XRT
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![BU of 4xrt by Molmil](/molmil-images/mine/4xrt) | Crystal structure of the di-domain ARO/CYC StfQ from the steffimycin biosynthetic pathway | Descriptor: | FORMIC ACID, StfQ Aromatase/Cyclase | Authors: | Tsai, S.C, Caldara-Festin, G.M, Jackson, D.R, Aguilar, S, Patel, A, Nguyen, M, Sasaki, E, Valentic, T.R, Barajas, J.F, Vo, M, Khanna, A, Liu, H.-W. | Deposit date: | 2015-01-21 | Release date: | 2015-12-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | Structural and functional analysis of two di-domain aromatase/cyclases from type II polyketide synthases. Proc.Natl.Acad.Sci.USA, 112, 2015
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4Y1S
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![BU of 4y1s by Molmil](/molmil-images/mine/4y1s) | Structural basis for Ca2+-mediated interaction of the perforin C2 domain with lipid membranes | Descriptor: | CALCIUM ION, Perforin-1 | Authors: | Conroy, P.J, Yagi, H, Whisstock, J.C, Norton, R.S. | Deposit date: | 2015-02-09 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.611 Å) | Cite: | Structural Basis for Ca2+-mediated Interaction of the Perforin C2 Domain with Lipid Membranes. J.Biol.Chem., 290, 2015
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4Y24
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![BU of 4y24 by Molmil](/molmil-images/mine/4y24) | Complex of human Galectin-1 and TD-139 | Descriptor: | 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, Galectin-1 | Authors: | Lin, H.Y, Hsieh, T.J, Lin, C.H. | Deposit date: | 2015-02-09 | Release date: | 2016-04-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Dual thio-digalactoside-binding modes of human galectins as the structural basis for the design of potent and selective inhibitors. Sci Rep, 6, 2016
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4XNR
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![BU of 4xnr by Molmil](/molmil-images/mine/4xnr) | Vibrio Vulnificus Adenine Riboswitch Aptamer Domain, Synthesized by Position-selective Labeling of RNA (PLOR), in Complex with Adenine | Descriptor: | ADENINE, MAGNESIUM ION, Vibrio Vulnificus Adenine Riboswitch | Authors: | Zhang, J, Liu, Y, Wang, Y.-X, Ferre-D'Amare, A.R. | Deposit date: | 2015-01-16 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Synthesis and applications of RNAs with position-selective labelling and mosaic composition. Nature, 522, 2015
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4Y31
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![BU of 4y31 by Molmil](/molmil-images/mine/4y31) | Crystal structure of yellow lupine LlPR-10.1A protein in ligand-free form | Descriptor: | ACETATE ION, Protein LlR18A | Authors: | Sliwiak, J, Michalska, K, Sikorski, M.M, Jaskolski, M. | Deposit date: | 2015-02-10 | Release date: | 2015-12-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Crystallographic and CD probing of ligand-induced conformational changes in a plant PR-10 protein. J.Struct.Biol., 193, 2016
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4Y3B
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![BU of 4y3b by Molmil](/molmil-images/mine/4y3b) | Crystal structure of C-terminal modified Tau peptide-hybrid 201D with 14-3-3sigma | Descriptor: | (2S)-2-(2-methoxyethyl)pyrrolidine, 14-3-3 protein sigma, ARG-THR-PRO-SEP-LEU-PRO-THR-[H][C@@]1(C(C2=CC=CC=C2)C3=CC=CC=C3)CCCN1C | Authors: | Bartel, M, Milroy, L.G, Brunsveld, L, Ottmann, C. | Deposit date: | 2015-02-10 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Stabilizer-Guided Inhibition of Protein-Protein Interactions. Angew.Chem.Int.Ed.Engl., 54, 2015
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4XRW
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![BU of 4xrw by Molmil](/molmil-images/mine/4xrw) | Crystal structure of the di-domain ARO/CYC BexL from the BE-7585A biosynthetic pathway | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BexL | Authors: | Tsai, S.C, Caldara-Festin, G.M, Jackson, D.R, Aguilar, S, Patel, A, Nguyen, M, Sasaki, E, Valentic, T.R, Barajas, J.F, Vo, M, Khanna, A, Liu, H.-W. | Deposit date: | 2015-01-21 | Release date: | 2015-12-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural and functional analysis of two di-domain aromatase/cyclases from type II polyketide synthases. Proc.Natl.Acad.Sci.USA, 112, 2015
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4XT2
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![BU of 4xt2 by Molmil](/molmil-images/mine/4xt2) | Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains in complex with a tetrazole-containing antagonist | Descriptor: | (5S,7R)-5,7-bis(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | Authors: | Scheuermann, T.H, Gardner, K.H. | Deposit date: | 2015-01-22 | Release date: | 2015-12-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Isoform-Selective and Stereoselective Inhibition of Hypoxia Inducible Factor-2. J.Med.Chem., 58, 2015
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1NNY
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![BU of 1nny by Molmil](/molmil-images/mine/1nny) | Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 23 Using a Linked-Fragment Strategy | Descriptor: | 3-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2-CARBOXYPHENYL)AMINO]-1-NAPHTHYL}-L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | Authors: | Szczepankiewicz, B.G, Liu, G, Hajduk, P.J, Abad-Zapatero, C, Pei, Z, Xin, Z, Lubben, T, Trevillyan, J.M, Stashko, M.A, Ballaron, S.J, Liang, H, Huang, F, Hutchins, C.W, Fesik, S.W, Jirousek, M.R. | Deposit date: | 2003-01-14 | Release date: | 2003-04-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor
Using a Linked-Fragment Strategy J.Am.Chem.Soc., 125, 2003
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4XOL
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![BU of 4xol by Molmil](/molmil-images/mine/4xol) | Observing the overall rocking motion of a protein in a crystal - Cubic Ubiquitin crystals. | Descriptor: | Ubiquitin, ZINC ION | Authors: | Coquelle, N, Peixiang, M, Schanda, P, Colletier, J.P. | Deposit date: | 2015-01-16 | Release date: | 2015-10-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Observing the overall rocking motion of a protein in a crystal. Nat Commun, 6, 2015
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4Y32
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![BU of 4y32 by Molmil](/molmil-images/mine/4y32) | Crystal structure of C-terminal modified Tau peptide-hybrid 109B with 14-3-3sigma | Descriptor: | (2S)-2-(2-methoxyethyl)pyrrolidine, 14-3-3 protein sigma, ARG-THR-PRO-SEP-LEU-PRO-CNC(C(C)O)C(=O)N1CCCC1CCOC | Authors: | Bartel, M, Milroy, L, Bier, D, Brunsveld, L, Ottmann, C. | Deposit date: | 2015-02-10 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Stabilizer-Guided Inhibition of Protein-Protein Interactions. Angew.Chem.Int.Ed.Engl., 54, 2015
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4XOF
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4Y1T
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![BU of 4y1t by Molmil](/molmil-images/mine/4y1t) | Structural basis for Ca2+-mediated interaction of the perforin C2 domain with lipid membranes | Descriptor: | CALCIUM ION, Perforin-1 | Authors: | Conroy, P.J, Yagi, H, Whisstock, J.C, Norton, R.S. | Deposit date: | 2015-02-09 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.666 Å) | Cite: | Structural Basis for Ca2+-mediated Interaction of the Perforin C2 Domain with Lipid Membranes. J.Biol.Chem., 290, 2015
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4X8U
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3T1Y
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![BU of 3t1y by Molmil](/molmil-images/mine/3t1y) | Structure of the Thermus thermophilus 30S ribosomal subunit complexed with a human anti-codon stem loop (HASL) of transfer RNA Lysine 3 (TRNALYS3) bound to an mRNA with an AAG-codon in the A-site and paromomycin | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Murphy, F.V, Vendeix, F.A.P, Cantara, W, Leszczynska, G, Gustilo, E.M, Sproat, B, Malkiewicz, A.A.P, Agris, P.F. | Deposit date: | 2011-07-22 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Human tRNA(Lys3)(UUU) Is Pre-Structured by Natural Modifications for Cognate and Wobble Codon Binding through Keto-Enol Tautomerism. J.Mol.Biol., 416, 2012
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4WZP
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![BU of 4wzp by Molmil](/molmil-images/mine/4wzp) | Ser65 phosphorylated ubiquitin, major conformation | Descriptor: | SULFATE ION, ubiquitin | Authors: | Wauer, T, Wagstaff, J, Freund, S.M.V, Komander, D. | Deposit date: | 2014-11-20 | Release date: | 2015-01-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ubiquitin Ser65 phosphorylation affects ubiquitin structure, chain assembly and hydrolysis. Embo J., 34, 2015
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4X11
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![BU of 4x11 by Molmil](/molmil-images/mine/4x11) | JC Polyomavirus genotype 3 VP1 in complex with GD1a oligosaccharide | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein, ... | Authors: | Stroh, L.J, Stehle, T. | Deposit date: | 2014-11-24 | Release date: | 2015-05-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Greater Affinity of JC Polyomavirus Capsid for alpha 2,6-Linked Lactoseries Tetrasaccharide c than for Other Sialylated Glycans Is a Major Determinant of Infectivity. J.Virol., 89, 2015
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4X1S
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![BU of 4x1s by Molmil](/molmil-images/mine/4x1s) | The crystal structure of mupain-1-16-D9A in complex with murinised human uPA at pH7.4 | Descriptor: | Urokinase-type plasminogen activator, mupain-1-16, piperidine-1-carboximidamide | Authors: | Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M. | Deposit date: | 2014-11-25 | Release date: | 2015-10-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility. Plos One, 9, 2014
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4X4K
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![BU of 4x4k by Molmil](/molmil-images/mine/4x4k) | Structure of laccase from Botrytis aclada with full copper content | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Laccase, ... | Authors: | Osipov, E.M, Polyakov, K.M, Tikhonova, T.V, Kittl, R, Shleev, S.V, Ludwig, R, Popov, V.O. | Deposit date: | 2014-12-03 | Release date: | 2015-12-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Incorporation of copper ions into crystals of T2 copper-depleted laccase from Botrytis aclada. Acta Crystallogr.,Sect.F, 71, 2015
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4X12
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![BU of 4x12 by Molmil](/molmil-images/mine/4x12) | JC Polyomavirus genotype 3 VP1 in complex with GD1b oligosaccharide | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein, ... | Authors: | Stroh, L.J, Stehle, T. | Deposit date: | 2014-11-24 | Release date: | 2015-04-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Greater Affinity of JC Polyomavirus Capsid for alpha 2,6-Linked Lactoseries Tetrasaccharide c than for Other Sialylated Glycans Is a Major Determinant of Infectivity. J.Virol., 89, 2015
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4X8V
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![BU of 4x8v by Molmil](/molmil-images/mine/4x8v) | FACTOR VIIA IN COMPLEX WITH THE INHIBITOR (methyl {3-[(2R)-1-{(2R)-2-(3,4-dimethoxyphenyl)-2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]acetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}carbamate) | Descriptor: | CALCIUM ION, Factor VIIa (Heavy Chain), Factor VIIa (Light Chain), ... | Authors: | Wei, A. | Deposit date: | 2014-12-10 | Release date: | 2015-03-25 | Last modified: | 2015-04-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of Novel P1 Groups for Coagulation Factor VIIa Inhibition Using Fragment-Based Screening. J.Med.Chem., 58, 2015
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2W49
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![BU of 2w49 by Molmil](/molmil-images/mine/2w49) | ISOMETRICALLY CONTRACTING INSECT ASYNCHRONOUS FLIGHT MUSCLE | Descriptor: | ACTIN, ALPHA SKELETAL MUSCLE, CALCIUM ION, ... | Authors: | Wu, S, Liu, J, Reedy, M.C, Tregear, R.T, Winkler, H, Franzini-Armstrong, C, Sasaki, H, Lucaveche, C, Goldman, Y.E, Reedy, M.K, Taylor, K.A. | Deposit date: | 2008-11-24 | Release date: | 2010-05-05 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (35 Å) | Cite: | Electron Tomography of Cryofixed, Isometrically Contracting Insect Flight Muscle Reveals Novel Actin-Myosin Interactions Plos One, 5, 2010
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