7GPF
| PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z760048004 | Descriptor: | DIMETHYL SULFOXIDE, N-(6-methylpyridin-2-yl)-D-prolinamide, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7GPQ
| PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with POB0008 | Descriptor: | Protease 3C, methyl 1-(methanesulfonyl)-2-methyl-D-prolinate | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | PanDDA analysis group deposition To Be Published
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4AZ0
| crystal structure of cathepsin a, complexed with 8a. | Descriptor: | (S)-3-{[1-(2-Fluoro-phenyl)-5-hydroxy-1H-pyrazole-3-carbonyl]-amino}-3-o-tolyl-propionic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ... | Authors: | Ruf, S, Buning, C, Schreuder, H, Horstick, G, Linz, W, Olpp, T, Pernerstorfer, J, Hiss, K, Kroll, K, Kannt, A, Kohlmann, M, Linz, D, Huebschle, T, Ruetten, H, Wirth, K, Schmidt, T, Sadowski, T. | Deposit date: | 2012-06-22 | Release date: | 2012-09-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Novel Beta-Amino Acid Derivatives as Inhibitors of Cathepsin A. J.Med.Chem., 55, 2012
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6TPW
| Crystal structures of FNIII domain one through four of the human leucocyte common antigen-related protein ( LAR) | Descriptor: | Receptor-type tyrosine-protein phosphatase F, SULFATE ION | Authors: | Vilstrup, J.P, Thirup, S.S, Simonsen, A, Birkefeldt, T, Strandbygaard, D. | Deposit date: | 2019-12-14 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal and solution structures of fragments of the human leucocyte common antigen-related protein. Acta Crystallogr D Struct Biol, 76, 2020
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3U2S
| Crystal Structure of PG9 Fab in Complex with V1V2 Region from HIV-1 strain ZM109 | Descriptor: | (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | McLellan, J.S, Pancera, M, Kwong, P.D. | Deposit date: | 2011-10-04 | Release date: | 2011-11-30 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.797 Å) | Cite: | Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9. Nature, 480, 2011
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5TBE
| Human p38alpha MAP Kinase in Complex with Dibenzosuberone Compound 2 | Descriptor: | Mitogen-activated protein kinase 14, ~{N}-[2,4-bis(fluoranyl)-5-[[9-(2-morpholin-4-ylethylcarbamoyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulen-3-yl]amino]phenyl]thiophene-2-carboxamide | Authors: | Buehrmann, M, Rauh, D. | Deposit date: | 2016-09-12 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Optimized Target Residence Time: Type I1/2 Inhibitors for p38 alpha MAP Kinase with Improved Binding Kinetics through Direct Interaction with the R-Spine. Angew. Chem. Int. Ed. Engl., 56, 2017
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1FH9
| CRYSTAL STRUCTURE OF THE XYLANASE CEX WITH XYLOBIOSE-DERIVED LACTAM OXIME INHIBITOR | Descriptor: | BETA-1,4-XYLANASE, beta-D-xylopyranose-(1-4)-(2Z,3S,4S,5R)-2-hydroxyiminopiperidine-3,4,5-triol | Authors: | Notenboom, V, Williams, S.J, Hoos, R, Withers, S.G, Rose, D.R. | Deposit date: | 2000-07-31 | Release date: | 2000-08-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Detailed structural analysis of glycosidase/inhibitor interactions: complexes of Cex from Cellulomonas fimi with xylobiose-derived aza-sugars. Biochemistry, 39, 2000
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4O6B
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4O1Z
| Crystal Structure of Ovine Cyclooxygenase-1 Complex with Meloxicam | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ... | Authors: | Xu, S, Hermanson, D.J, Banerjee, S, Ghebreselasie, K, Clayton, G.M, Garavito, R.M, Marnett, L.J. | Deposit date: | 2013-12-16 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network. J.Biol.Chem., 289, 2014
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1I1D
| CRYSTAL STRUCTURE OF YEAST GNA1 BOUND TO COA AND GLNAC-6P | Descriptor: | 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, COENZYME A, GLUCOSAMINE-PHOSPHATE N-ACETYLTRANSFERASE, ... | Authors: | Peneff, C, Mengin-Lecreulx, D, Bourne, Y. | Deposit date: | 2001-02-01 | Release date: | 2001-05-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structures of Apo and complexed Saccharomyces cerevisiae GNA1 shed light on the catalytic mechanism of an amino-sugar N-acetyltransferase. J.Biol.Chem., 276, 2001
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3ZM5
| CRYSTAL STRUCTURE OF MURF LIGASE IN COMPLEX WITH CYANOTHIOPHENE INHIBITOR | Descriptor: | 2,4-bis(chloranyl)-N-[3-cyano-6-[(4-hydroxyphenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-5-morpholin-4-ylsulfonyl-benzamide, UDP-N-ACETYLMURAMOYL-TRIPEPTIDE--D-ALANYL-D-ALANINE LIGASE | Authors: | Hrast, M, Turk, S, Sosic, I, Knez, D, Randall, C.P, Barreteau, H, Contreras-Martel, C, Dessen, A, ONeill, A.J, Mengin-Lecreulx, D, Blanot, D, Gobec, S. | Deposit date: | 2013-02-05 | Release date: | 2013-07-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Structure-Activity Relationships of New Cyanothiophene Inhibitors of the Essential Peptidoglycan Biosynthesis Enzyme Murf. Eur.J.Med.Chem., 66C, 2013
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4F7E
| Crystal structure of bovine CD1d with bound C16:0-alpha-galactosyl ceramide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ... | 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 (2.4 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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3O4O
| Crystal structure of an Interleukin-1 receptor 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, Interleukin-1 beta, ... | Authors: | Wang, X.Q, Wang, D.L, Zhang, S.Y, Li, L, Liu, X, Mei, K.R. | Deposit date: | 2010-07-27 | Release date: | 2010-09-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural insights into the assembly and activation of IL-1beta with its receptors Nat.Immunol., 11, 2010
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2ZGM
| Crystal structure of recombinant Agrocybe aegerita lectin,rAAL, complex with lactose | Descriptor: | Anti-tumor lectin, SULFATE ION, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Li, D.F, Yang, N, Wang, D.C. | Deposit date: | 2008-01-23 | Release date: | 2009-01-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita J.Mol.Biol., 387, 2009
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3E6J
| Crystal Structure of Variable Lymphocyte Receptor (VLR) RBC36 in Complex with H-trisaccharide | Descriptor: | GLYCEROL, SULFATE ION, Variable lymphocyte receptor diversity region, ... | Authors: | Han, B.W, Herrin, B.R, Cooper, M.D, Wilson, I.A. | Deposit date: | 2008-08-15 | Release date: | 2008-10-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Antigen recognition by variable lymphocyte receptors. Science, 321, 2008
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4GS7
| Structure of the Interleukin-15 quaternary complex | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ring, A.M, Ozkan, E, Feng, D, Garcia, K.C. | Deposit date: | 2012-08-27 | Release date: | 2012-11-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Mechanistic and structural insight into the functional dichotomy between IL-2 and IL-15. Nat.Immunol., 13, 2012
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5VWG
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1PO1
| POLIOVIRUS (TYPE 1, MAHONEY) IN COMPLEX WITH R80633, AN INHIBITOR OF VIRAL REPLICATION | Descriptor: | (METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 1 MAHONEY | Authors: | Hiremath, C.N, Filman, D.J, Grant, R.A, Hogle, J.M. | Deposit date: | 1997-01-08 | Release date: | 1997-12-03 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Ligand-induced conformational changes in poliovirus-antiviral drug complexes. Acta Crystallogr.,Sect.D, 53, 1997
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4H7U
| Crystal structure of pyranose dehydrogenase from Agaricus meleagris, wildtype | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, ... | Authors: | Tan, T.C, Spadiut, O, Divne, C. | Deposit date: | 2012-09-20 | Release date: | 2013-08-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The 1.6 A crystal structure of pyranose dehydrogenase from Agaricus meleagris rationalizes substrate specificity and reveals a flavin intermediate. Plos One, 8, 2013
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4B85
| Mus musculus Acetylcholinesterase in complex with 4-Chloranyl-N-(2- diethylamino-ethyl)-benzenesulfonamide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-chloranyl-N-[2-(diethylamino)ethyl]benzenesulfonamide, ACETYLCHOLINESTERASE, ... | Authors: | Andersson, C.D, Forsgren, N, Akfur, C, Allgardsson, A, Berg, L, Qian, W, Ekstrom, F, Linusson, A. | Deposit date: | 2012-08-24 | Release date: | 2013-09-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors. J.Med.Chem., 56, 2013
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3RT1
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3Q25
| Crystal structure of human alpha-synuclein (1-19) fused to maltose binding protein (MBP) | Descriptor: | GLYCEROL, Maltose-binding periplasmic protein/alpha-synuclein chimeric protein, SULFATE ION, ... | Authors: | Zhao, M, Sawaya, M.R, Cascio, D, Eisenberg, D. | Deposit date: | 2010-12-19 | Release date: | 2011-06-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of segments of alpha-synuclein fused to maltose-binding protein suggest intermediate states during amyloid formation Protein Sci., 20, 2011
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3GNA
| Crystal structure of the RAG1 nonamer-binding domain with DNA | Descriptor: | 5'-D(*AP*CP*TP*TP*AP*AP*CP*AP*AP*AP*AP*AP*CP*C)-3', 5'-D(*TP*GP*GP*TP*TP*TP*TP*TP*GP*TP*TP*AP*AP*G)-3', V(D)J recombination-activating protein 1 | Authors: | Yin, F.F, Bailey, S, Innis, C.A, Steitz, T.A, Schatz, D.G. | Deposit date: | 2009-03-16 | Release date: | 2009-04-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the RAG1 nonamer binding domain with DNA reveals a dimer that mediates DNA synapsis. Nat.Struct.Mol.Biol., 16, 2009
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5FTP
| sulfur SAD phasing of Cdc23Nterm: data collection with a tailored X- ray beam size at 2.69 A wavelength (4.6 keV) | Descriptor: | ANAPHASE-PROMOTING COMPLEX SUBUNIT 8 | Authors: | Cianci, M, Groves, M.R, Barford, D, Schneider, T.R. | Deposit date: | 2016-01-14 | Release date: | 2016-03-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Data Collection with a Tailored X-Ray Beam Size at 2.69 A Wavelength (4.6 Kev): Sulfur Sad Phasing of Cdc23Nterm Acta Crystallogr.,Sect.D, 72, 2016
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3PHO
| Crystal structure of S64-4 in complex with PSBP | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-8)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-6)-2-amino-2-deoxy-4-O-phosphono-beta-D-glucopyranose, S64-4 Fab (IgG1) heavy chain, S64-4 Fab (IgG1) light chain | Authors: | Evans, D.W, Evans, S.V. | Deposit date: | 2010-11-04 | Release date: | 2011-05-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural insights into parallel strategies for germline antibody recognition of lipopolysaccharide from Chlamydia. Glycobiology, 21, 2011
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