3HV4
 
 | | Human p38 MAP Kinase in Complex with RL51 | | Descriptor: | 1-{3-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ... | | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | | Deposit date: | 2009-06-15 | | Release date: | 2009-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Displacement assay for the detection of stabilizers of inactive kinase conformations.
J.Med.Chem., 53, 2010
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4F7C
 | | Crystal structure of bovine CD1d with bound C12-di-sulfatide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, CD1D antigen, ... | | Authors: | Wang, J, Zajonc, D.M. | | Deposit date: | 2012-05-15 | | Release date: | 2012-11-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.864 Å) | | Cite: | Crystal Structures of Bovine CD1d Reveal Altered αGalCer Presentation and a Restricted A' Pocket Unable to Bind Long-Chain Glycolipids.
Plos One, 7, 2012
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6TTR
 | | Crystal Structure of the coiled coil and GGDEF domain of DgcB from Caulobacter crescentus in complex with c-di-GMP | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), GGDEF diguanylate cyclase DgcB, PHOSPHATE ION | | Authors: | Holzschuh, F, Schirmer, T, Teixeira, R.D. | | Deposit date: | 2019-12-30 | | Release date: | 2021-01-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Crystal structure of the coiled coil and GGDEF domain of DgcB from Caulobacter crescentus in complex with c-di-GMP
To Be Published
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1S78
 | | Insights into ErbB signaling from the structure of the ErbB2-pertuzumab complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Pertuzumab Fab heavy chain, ... | | Authors: | Franklin, M.C, Carey, K.D, Vajdos, F.F, Leahy, D.J, de Vos, A.M, Sliwkowski, M.X. | | Deposit date: | 2004-01-29 | | Release date: | 2004-04-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Insights into ErbB signaling from the structure of the ErbB2-pertuzumab complex.
Cancer Cell, 5, 2004
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6B2X
 | | Apo YiuA Crystal Form 1 | | Descriptor: | CHLORIDE ION, SODIUM ION, Solute-binding periplasmic protein of iron/siderophore ABC transporter | | Authors: | Radka, C.D, DeLucas, L.J, Aller, S.G. | | Deposit date: | 2017-09-20 | | Release date: | 2017-11-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.199 Å) | | Cite: | The crystal structure of the Yersinia pestis iron chaperone YiuA reveals a basic triad binding motif for the chelated metal.
Acta Crystallogr D Struct Biol, 73, 2017
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3NTG
 | | Crystal structure of COX-2 with selective compound 23d-(R) | | Descriptor: | (2R)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoromethyl)-2H-chromene-3-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: | Wang, J.L, Limburg, D, Graneto, M.J, Carter, J.C, Talley, J.J, Kiefer, J.R. | | Deposit date: | 2010-07-04 | | Release date: | 2010-10-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.
Bioorg.Med.Chem.Lett., 20, 2010
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2XQH
 | | Crystal structure of an immunoglobulin-binding fragment of the trimeric autotransporter adhesin EibD | | Descriptor: | CHLORIDE ION, IMMUNOGLOBULIN-BINDING PROTEIN EIBD | | Authors: | Leo, J.C, Lyskowski, A, Hartmann, M, Schwarz, H, Linke, D, Lupas, A.N, Goldman, A. | | Deposit date: | 2010-09-02 | | Release date: | 2011-07-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | The Structure of E. Coli Igg-Binding Protein D Suggests a General Model for Bending and Binding in Trimeric Autotransporter Adhesins.
Structure, 19, 2011
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3POY
 | | Crystal Structure of the alpha-Neurexin-1 ectodomain, LNS 2-6 | | Descriptor: | Neurexin-1-alpha, beta-D-glucopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Miller, M.T, Mileni, M, Comoletti, D, Stevens, R.C, Harel, M, Taylor, P. | | Deposit date: | 2010-11-23 | | Release date: | 2011-06-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | The crystal structure of the alpha-neurexin-1 extracellular region reveals a hinge point for mediating synaptic adhesion and function.
Structure, 19, 2011
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5E0F
 | | Human pancreatic alpha-amylase in complex with mini-montbretin A | | Descriptor: | 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 6-deoxy-2-O-{6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}-alpha-L-mannopyranoside, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Caner, S, Brayer, G.D. | | Deposit date: | 2015-09-28 | | Release date: | 2016-09-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Human pancreatic alpha-amylase in complex with mini-montbretin A
To Be Published
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3ZYF
 | | CRYSTAL STRUCTURE OF PA-IL LECTIN COMPLEXED WITH NPG AT 1.9 A RESOLUTION | | Descriptor: | 4-nitrophenyl beta-D-galactopyranoside, CALCIUM ION, PA-I GALACTOPHILIC LECTIN | | Authors: | Kadam, R.U, Bergmann, M, Hurley, M, Garg, D, Cacciarini, M, Swiderska, M.A, Nativi, C, Sattler, M, Smyth, A.R, Williams, P, Camara, M, Stocker, A, Darbre, T, Reymond, J.-L. | | Deposit date: | 2011-08-22 | | Release date: | 2011-09-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.944 Å) | | Cite: | A Glycopeptide Dendrimer Inhibitor of the Galactose-Specific Lectin Leca and of Pseudomonas Aeruginosa Biofilms.
Angew.Chem.Int.Ed.Engl., 50, 2011
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4N8W
 | | cathepsin K - chondroitin sulfate complex | | Descriptor: | 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid, Cathepsin K | | Authors: | Aguda, A.H, Nguyen, N.T, Bromme, D, Brayer, G.D. | | Deposit date: | 2013-10-18 | | Release date: | 2014-11-26 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structural basis of collagen fiber degradation by cathepsin K.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5EA5
 | | Crystal Structure of Inhibitor TMC-353121 in Complex with Prefusion RSV F Glycoprotein | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-[[6-[[[2-(3-hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(4-morpholinyl)propyl]amino]-1H-benzimidazol-1-yl]methyl]-6-methyl-3-pyridinol, D(-)-TARTARIC ACID, ... | | Authors: | Battles, M.B, McLellan, J.S, Arnoult, E, Roymans, D, Langedijk, J.P. | | Deposit date: | 2015-10-15 | | Release date: | 2015-12-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Molecular mechanism of respiratory syncytial virus fusion inhibitors.
Nat.Chem.Biol., 12, 2016
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1HNF
 | | CRYSTAL STRUCTURE OF THE EXTRACELLULAR REGION OF THE HUMAN CELL ADHESION MOLECULE CD2 AT 2.5 ANGSTROMS RESOLUTION | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CD2, SODIUM ION | | Authors: | Bodian, D.L, Jones, E.Y, Harlos, K, Stuart, D.I, Davis, S.J. | | Deposit date: | 1994-08-10 | | Release date: | 1995-02-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the extracellular region of the human cell adhesion molecule CD2 at 2.5 A resolution.
Structure, 2, 1994
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4AXB
 | | Crystal structure of soman-aged human butyrylcholinesterase in complex with 2-PAM | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Wandhammer, M, de Koning, M, Noort, D, Goeldner, M, Nachon, F. | | Deposit date: | 2012-06-12 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A Step Toward the Reactivation of Aged Cholinesterases -Crystal Structure of Ligands Binding to Aged Human Butyrylcholinesterase
Chem.Biol.Interact, 203, 2013
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4AVN
 | | Thermobifida fusca cellobiohydrolase Cel6B catalytic mutant D226A- S232A cocrystallized with cellobiose | | Descriptor: | CALCIUM ION, CELLOBIOHYDROLASE. GLYCOSYL HYDROLASE FAMILY 6, beta-D-glucopyranose, ... | | Authors: | Wu, M, Vuong, T.V, Wilson, D.B, Sandgren, M, Stahlberg, J, Hansson, H. | | Deposit date: | 2012-05-28 | | Release date: | 2013-06-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Loop Motions Important to Product Expulsion in the Thermobifida Fusca Glycoside Hydrolase Family 6 Cellobiohydrolase from Structural and Computational Studies.
J.Biol.Chem., 288, 2013
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5VSJ
 | | Sco GlgEI-V279S in complex with a pyrolidene-based ethyl-phosphonate compound | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, {2-[(2R,3R,4R,5R)-3-(alpha-D-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]ethyl}phosphonic acid | | Authors: | Petit, C, Ronning, D.R. | | Deposit date: | 2017-05-11 | | Release date: | 2017-05-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.456 Å) | | Cite: | Zwitterionic pyrrolidene-phosphonates: inhibitors of the glycoside hydrolase-like phosphorylase Streptomyces coelicolor GlgEI-V279S.
Org. Biomol. Chem., 15, 2017
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3HO7
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6BXB
 | | Crystal structure of an extended b3 integrin P33 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Chimera protein of Integrin beta-3 and Integrin alpha-L, ... | | Authors: | Zhou, D, Zhu, J. | | Deposit date: | 2017-12-18 | | Release date: | 2018-08-01 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structure of an extended beta3integrin.
Blood, 132, 2018
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3ZZV
 | | BambL complexed with Htype2 tetrasaccharide | | Descriptor: | BAMBL LECTIN, alpha-L-fucopyranose, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Audfray, A, Claudinon, J, Abounit, S, Ruvoen-Clouet, N, Larson, G, Wimmerova, M, LePendu, J, Romer, W, Varrot, A, Imberty, A. | | Deposit date: | 2011-09-05 | | Release date: | 2011-12-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Fucose-Binding Lectin from Opportunistic Pathogen Burkholderia Ambifaria Binds to Both Plant and Human Oligosaccharidic Epitopes.
J.Biol.Chem., 287, 2012
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3OVN
 | | Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase | | Descriptor: | 1-methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine, CADMIUM ION, POL polyprotein, ... | | Authors: | Wielens, J, Chalmers, D.K, Headey, S.J, Deadman, J.J, Rhodes, D.K, Parker, M.W, Scanlon, M.J. | | Deposit date: | 2010-09-16 | | Release date: | 2011-03-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1
Chemmedchem, 6, 2011
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4DS0
 | | Cell attachment protein VP8* of a human rotavirus specifically interacts with A-type histo-blood group antigen | | Descriptor: | Outer capsid protein VP4, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Hu, L, Crawford, S.E, Czako, R, Cortes-Penfield, N.W, Smith, D.F, Le Pendu, J, Estes, M.K, Prasad, B.V.V. | | Deposit date: | 2012-02-17 | | Release date: | 2012-04-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Cell attachment protein VP8* of a human rotavirus specifically interacts with A-type histo-blood group antigen.
Nature, 485, 2012
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2ZMK
 | | Crystl structure of Basic Winged bean lectin in complex with Gal-alpha-1,4-Gal-Beta-Ethylene | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Basic agglutinin, ... | | Authors: | Kulkarni, K.A, Katiyar, S, Surolia, A, Vijayan, M. | | Deposit date: | 2008-04-19 | | Release date: | 2008-07-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and sugar-specificity of basic winged-bean lectin: structures of new disaccharide complexes and a comparative study with other known disaccharide complexes of the lectin.
Acta Crystallogr.,Sect.D, 64, 2008
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3HV3
 | | Human p38 MAP Kinase in Complex with RL49 | | Descriptor: | 1-{4-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea, GLYCEROL, Mitogen-activated protein kinase 14, ... | | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | | Deposit date: | 2009-06-15 | | Release date: | 2009-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Displacement assay for the detection of stabilizers of inactive kinase conformations.
J.Med.Chem., 53, 2010
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7BO6
 | | VDR complex with LCA derivative | | Descriptor: | (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | Authors: | Rochel, N. | | Deposit date: | 2021-01-24 | | Release date: | 2021-08-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Lithocholic acid-based design of noncalcemic vitamin D receptor agonists.
Bioorg.Chem., 111, 2021
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4AP6
 | | Crystal structure of human POFUT2 E54A mutant in complex with GDP- fucose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GDP-FUCOSE PROTEIN O-FUCOSYLTRANSFERASE 2, ... | | Authors: | Chen, C, Keusch, J.J, Klein, D, Hess, D, Hofsteenge, J, Gut, H. | | Deposit date: | 2012-03-30 | | Release date: | 2012-08-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.401 Å) | | Cite: | Structure of Human Pofut2: Insights Into Thrombospondin Type 1 Repeat Fold and O-Fucosylation.
Embo J., 31, 2012
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