4A0Z
 
 | | Structure of the global transcription regulator FapR from Staphylococcus aureus in complex with malonyl-CoA | | Descriptor: | MALONYL-COENZYME A, TRANSCRIPTION FACTOR FAPR | | Authors: | Albanesi, D, Guerin, M.E, Buschiazzo, A, de Mendoza, D, Alzari, P.M. | | Deposit date: | 2011-09-13 | | Release date: | 2012-09-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis for Feed-Forward Transcriptional Regulation of Membrane Lipid Homeostasis in Staphylococcus Aureus.
Plos Pathog., 9, 2013
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2VY8
 | | The 627-domain from influenza A virus polymerase PB2 subunit with Glu- 627 | | Descriptor: | POLYMERASE BASIC PROTEIN 2 | | Authors: | Tarendeau, F, Crepin, T, Guilligay, D, Ruigrok, R, Cusack, S, Hart, D. | | Deposit date: | 2008-07-19 | | Release date: | 2008-09-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Host Determinant Residue Lysine 627 Lies on the Surface of a Discrete, Folded Domain of Influenza Virus Polymerase Pb2 Subunit
Plos Pathog., 4, 2008
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2W0S
 | | Crystal structure of vaccinia virus thymidylate kinase bound to brivudin-5'-monophosphate | | Descriptor: | (E)-5-(2-BROMOVINYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Caillat, C, Topalis, D, Agrofoglio, L.A, Pochet, S, Balzarini, J, Deville-Bonne, D, Meyer, P. | | Deposit date: | 2008-10-08 | | Release date: | 2008-10-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.918 Å) | | Cite: | Crystal Structure of Poxvirus Thymidylate Kinase: An Unexpected Dimerization Has Implications for Antiviral Therapy
Proc.Natl.Acad.Sci.USA, 105, 2008
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5MMP
 | | E. coli DNA Gyrase B 24 kDa ATPase domain in complex with 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)-isoquinolin-3-yl]-urea | | Descriptor: | 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)isoquinolin-3-yl]urea, DNA gyrase subunit B | | Authors: | Panchaud, P, Bruyere, T, Blumstein, A.-C, Bur, D, Chambovey, A, Ertel, E.A, Gude, M, Hubschwerlen, C, Jacob, L, Kimmerlin, T, Pfeifer, T, Prade, L, Seiler, P, Ritz, D, Rueedi, G. | | Deposit date: | 2016-12-12 | | Release date: | 2017-04-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents.
J. Med. Chem., 60, 2017
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4AP5
 | | Crystal structure of human POFUT2 | | 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 (3.003 Å) | | Cite: | Structure of Human Pofut2: Insights Into Thrombospondin Type 1 Repeat Fold and O-Fucosylation.
Embo J., 31, 2012
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5JM4
 | | Crystal structure of 14-3-3zeta in complex with a cyclic peptide involving an adamantyl and a dicarboxy side chain | | Descriptor: | 14-3-3 protein zeta/delta, BENZOIC ACID, GLN-GLY-MKD-ANG-ASP-MKD-LEU-ASP-LEU-ALA-CLU | | Authors: | Bier, D, Krueger, D, Glas, A, Wallraven, K, Ottmann, C, Hennig, S, Grossmann, T. | | Deposit date: | 2016-04-28 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structure-Based Design of Non-natural Macrocyclic Peptides That Inhibit Protein-Protein Interactions.
J. Med. Chem., 60, 2017
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8J03
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4A0Y
 | | Structure of the global transcription regulator FapR from Staphylococcus aureus | | Descriptor: | CHLORIDE ION, TRANSCRIPTION FACTOR FAPR | | Authors: | Albanesi, D, Guerin, M.E, Buschiazzo, A, de Mendoza, D, Alzari, P.M. | | Deposit date: | 2011-09-13 | | Release date: | 2012-09-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis for Feed-Forward Transcriptional Regulation of Membrane Lipid Homeostasis in Staphylococcus Aureus.
Plos Pathog., 9, 2013
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2VLF
 | | Quinonoid intermediate of Citrobacter freundii tyrosine phenol-lyase formed with alanine | | Descriptor: | (2E)-2-{[(Z)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4(1H)-YLIDENE}METHYL]IMINO}PROPANOIC ACID, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, POTASSIUM ION, ... | | Authors: | Milic, D, Demidkina, T.V, Matkovic-Calogovic, D, Antson, A.A. | | Deposit date: | 2008-01-14 | | Release date: | 2008-08-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Insights Into the Catalytic Mechanism of Tyrosine Phenol-Lyase from X-Ray Structures of Quinonoid Intermediates.
J.Biol.Chem., 283, 2008
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3HLW
 | | CTX-M-9 S70G in complex with cefotaxime | | Descriptor: | (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, CTX-M-9 extended-spectrum beta-lactamase | | Authors: | Delmas, J, Leyssne, D, Dubois, D, Vazeille, E, Robin, F, Bonnet, R. | | Deposit date: | 2009-05-28 | | Release date: | 2010-06-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural insights into substrate recognition and product expulsion in CTX-M enzymes.
J.Mol.Biol., 400, 2010
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4AFQ
 | | Human Chymase - Fynomer Complex | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHYMASE, CITRATE ANION, ... | | Authors: | Schlatter, D, Brack, S, Banner, D.W, Batey, S, Benz, J, Bertschinger, J, Huber, W, Joseph, C, Rufer, A, Van Der Kloosters, A, Weber, M, Grabulovski, D, Hennig, M. | | Deposit date: | 2012-01-23 | | Release date: | 2012-07-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Generation, Characterization and Structural Data of Chymase Binding Proteins Based on the Human Fyn Kinase SH3 Domain.
Mabs, 4, 2012
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5ZIT
 | | Crystal structure of human Enterovirus D68 RdRp in complex with NADPH | | Descriptor: | DI(HYDROXYETHYL)ETHER, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, RdRp | | Authors: | Wang, M.L, Li, L, Chen, Y.P, Jiang, H, Zhang, Y, Su, D. | | Deposit date: | 2018-03-17 | | Release date: | 2019-04-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.196 Å) | | Cite: | Structure of the enterovirus D68 RNA-dependent RNA polymerase in complex with NADPH implicates an inhibitor binding site in the RNA template tunnel.
J.Struct.Biol., 2020
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5MI9
 | | Structure of the phosphomimetic mutant of the elongation factor EF-Tu T62E | | Descriptor: | Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Talavera, A, Hendrix, J, Versees, W, De Gieter, S, Castro-Roa, D, Jurenas, D, Van Nerom, K, Vandenberk, N, Barth, A, De Greve, H, Hofkens, J, Zenkin, N, Loris, R, Garcia-Pino, A. | | Deposit date: | 2016-11-27 | | Release date: | 2017-12-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Phosphorylation decelerates conformational dynamics in bacterial translation elongation factors.
Sci Adv, 4, 2018
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7NW2
 | | Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-47 | | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Fearon, D, Douangamath, A, Aimon, A, Brandao-Neto, J, Dias, A, Dunnett, L, Gehrtz, P, Gorrie-Stone, T.J, Lukacik, P, Powell, A.J, Skyner, R, Strain-Damerell, C.M, Zaidman, D, London, N, Walsh, M.A, von Delft, F, Covid Moonshot Consortium | | Deposit date: | 2021-03-16 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | An automatic pipeline for the design of irreversible derivatives identifies a potent SARS-CoV-2 M pro inhibitor.
Cell Chem Biol, 28, 2021
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8CYK
 | | Crystal structure of hallucinated protein HALC1_878 | | Descriptor: | HALC1_878 | | Authors: | Ragotte, R.J, Bera, A.K, Milles, L.F, Wicky, B.I.M, Baker, D. | | Deposit date: | 2022-05-23 | | Release date: | 2022-09-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Robust deep learning-based protein sequence design using ProteinMPNN.
Science, 378, 2022
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1JYC
 | | CONCANAVALIN A/15-mer PEPTIDE COMPLEX | | Descriptor: | 15-mer peptide, CALCIUM ION, Concanavalin-Br, ... | | Authors: | Jain, D, Kaur, K.J, Salunke, D.M. | | Deposit date: | 2001-09-12 | | Release date: | 2002-09-12 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Plasticity in Protein-Peptide Recognition: Crystal Structures of Two Different Peptides Bound to Concanavalin A
Biophys.J., 80, 2001
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2VJD
 | | Torpedo Californica Acetylcholinesterase In Complex With A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic space group - Dataset C at 150K | | Descriptor: | (4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | | Authors: | Colletier, J.P, Bourgeois, D, Fournier, D, Silman, I, Sussman, J.L, Weik, M. | | Deposit date: | 2007-12-09 | | Release date: | 2008-07-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Shoot-and-Trap: Use of Specific X-Ray Damage to Study Structural Protein Dynamics by Temperature-Controlled Cryo-Crystallography.
Proc.Natl.Acad.Sci.USA, 105, 2008
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2V3F
 | | acid-beta-glucosidase produced in carrot | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLUCOSYLCERAMIDASE, SULFATE ION, ... | | Authors: | Shaaltiel, Y, Bartfeld, D, Hashmueli, S, Baum, G, Brill-Almon, E, Galili, G, Dym, O, Boldin-Adamsky, S.A, Silman, I, Sussman, J.L, Futerman, A.H, Aviezer, D, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2007-06-17 | | Release date: | 2008-04-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Production of Glucocerebrosidase with Terminal Mannose Glycans for Enzyme Replacement Therapy of Gaucher'S Disease Using a Plant Cell System.
Plant Biotechnol.J., 5, 2007
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5KZN
 | | Metabotropic Glutamate Receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Metabotropic glutamate receptor 2 | | Authors: | Chappell, M.D, Li, R, Smith, S.C, Dressman, B.A, Tromiczak, E.G, Tripp, A.E, Blanco, M.-J, Vetman, T, Quimby, S.J, Matt, J, Britton, T, Fivush, A.M, Schkeryantz, J.M, Mayhugh, D, Erickson, J.A, Bures, M, Jaramillo, C, Carpintero, M, de Diego, J.E, Barberis, M, Garcia-Cerrada, S, Soriano, J.F, Antonysamy, S, Atwell, S, MacEwan, I, Condon, B, Bradley, C, Wang, J, Zhang, A, Conners, K, Groshong, C, Wasserman, S.R, Koss, J.W, Witkin, J.M, Li, X, Overshiner, C, Wafford, K.A, Seidel, W, Wang, X.-S, Heinz, B.A, Swanson, S, Catlow, J, Bedwell, D, Monn, J.A, Mitch, C.H, Ornstein, P. | | Deposit date: | 2016-07-25 | | Release date: | 2016-12-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity.
J. Med. Chem., 59, 2016
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2V6V
 | | The structure of the Bem1p PX domain | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BUD EMERGENCE PROTEIN 1 | | Authors: | Stahelin, R.V, Karathanassis, D, Murray, D, Williams, R.L, Cho, W. | | Deposit date: | 2007-07-21 | | Release date: | 2007-07-31 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and Membrane Binding Analysis of the Phox Homology Domain of Bem1P: Basis of Phosphatidylinositol 4-Phosphate Specificity.
J.Biol.Chem., 282, 2007
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5EIV
 | | Crystal structure of complex of osteoclast-associated immunoglobulin-like receptor (OSCAR) and a synthetic collagen consensus peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CHLORIDE ION, ... | | Authors: | Zhou, L, Blaszczyk, M, Chirgadze, D, Bihan, D, Farndale, R.W. | | Deposit date: | 2015-10-30 | | Release date: | 2015-11-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.414 Å) | | Cite: | Structural basis for collagen recognition by the immune receptor OSCAR.
Blood, 127, 2016
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2VA5
 | | X-ray crystal structure of beta secretase complexed with compound 8c | | Descriptor: | 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one, BETA-SECRETASE 1 ., IODIDE ION | | Authors: | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L, Patel, S, Spear, N, Tian, G. | | Deposit date: | 2007-08-30 | | Release date: | 2007-11-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency.
J.Med.Chem., 50, 2007
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4AG2
 | | Human Chymase - Fynomer Complex | | Descriptor: | (2S)-2-hydroxybutanedioic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHYMASE, ... | | Authors: | Schlatter, D, Brack, S, Banner, D.W, Batey, S, Benz, J, Bertschinger, J, Huber, W, Joseph, C, Rufer, A, Van Der Kloosters, A, Weber, M, Grabulovski, D, Hennig, M. | | Deposit date: | 2012-01-23 | | Release date: | 2012-07-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Generation, Characterization and Structural Data of Chymase Binding Proteins Based on the Human Fyn Kinase SH3 Domain.
Mabs, 4, 2012
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2UWM
 | | C-TERMINAL DOMAIN(WH2-WH4) OF ELONGATION FACTOR SELB IN COMPLEX WITH SECIS RNA | | Descriptor: | 5'-R(*GP*GP*CP*GP*UP*UP*GP*CP*CP*GP *GP*UP*CP*UP*GP*GP*CP*AP*AP*CP*GP*CP*C)-3', SELENOCYSTEINE-SPECIFIC ELONGATION FACTOR | | Authors: | Ose, T, Soler, N, Rasubala, L, Kuroki, K, Kohda, D, Fourmy, D, Yoshizawa, S, Maenaka, K. | | Deposit date: | 2007-03-22 | | Release date: | 2007-05-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structural Basis for Dynamic Interdomain Movement and RNA Recognition of the Selenocysteine-Specific Elongation Factor Selb.
Structure, 15, 2007
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4AG1
 | | Human Chymase - Fynomer Complex | | Descriptor: | CHYMASE, FYNOMER, SULFATE ION | | Authors: | Schlatter, D, Brack, S, Banner, D.W, Batey, S, Benz, J, Bertschinger, J, Huber, W, Joseph, C, Rufer, A, Van Der Kloosters, A, Weber, M, Grabulovski, D, Hennig, M. | | Deposit date: | 2012-01-23 | | Release date: | 2012-07-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Generation, Characterization and Structural Data of Chymase Binding Proteins Based on the Human Fyn Kinase SH3 Domain.
Mabs, 4, 2012
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