1DXP
 
 | | Inhibition of the Hepatitis C Virus NS3/4A Protease. The Crystal Structures of Two Protease-Inhibitor Complexes (apo structure) | | Descriptor: | GLYCEROL, NONSTRUCTURAL PROTEIN NS4A (P4), PROTEASE/HELICASE NS3 (P70), ... | | Authors: | Di Marco, S, Rizzi, M, Volpari, C, Walsh, M, Narjes, F, Colarusso, S, De Francesco, R, Matassa, V.G, Sollazzo, M. | | Deposit date: | 2000-01-13 | | Release date: | 2001-01-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Inhibition of the Hepatitis C Virus Ns3/4A Protease the Crystal Structures of Two Protease-Inhibitor Complexes
J.Biol.Chem., 275, 2000
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6YNQ
 | | Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone. | | Descriptor: | (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, CHLORIDE ION, ... | | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | Deposit date: | 2020-04-14 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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2BKT
 | | crystal structure of renin-pf00257567 complex | | Descriptor: | 1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]-PHENYL}-6-(1,2,,3,4-TETRAHYDRO-QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN-2-ONE, RENIN | | Authors: | Powell, N.A, Clay, E.H, Holsworth, D.D, Edmunds, J.J, Bryant, J.W, Ryan, J.M, Jalaie, M, Zhang, E. | | Deposit date: | 2005-02-18 | | Release date: | 2006-04-05 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Equipotent Activity in Both Enantiomers of a Series of Ketopiperazine-Based Renin Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
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3LX2
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2BS8
 | | Crystal structure of F17b-G in complex with N-acetyl-D-glucosamine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADHESIN | | Authors: | Buts, L, Wellens, A, VanMolle, I, Wyns, L, Loris, R, Lahmann, M, Oscarson, S, DeGreve, H, Bouckaert, J. | | Deposit date: | 2005-05-18 | | Release date: | 2005-08-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Impact of Natural Variation in Bacterial F17G Adhesins on Crystallization Behaviour.
Acta Crystallogr.,Sect.D, 61, 2005
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2BWG
 | | Structure of human guanosine monophosphate reductase GMPR1 in complex with GMP | | Descriptor: | GMP REDUCTASE I, GUANOSINE-5'-MONOPHOSPHATE, POTASSIUM ION | | Authors: | Bunkoczi, G, Haroniti, A, Ng, S, von Delft, F, Gileadi, O, Oppermann, U, Arrowsmith, C, Edwards, A, Sundstrom, M. | | Deposit date: | 2005-07-13 | | Release date: | 2005-07-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of Human Guanosine Monophosphate Reductase Gmpr1 in Complex with Gmp
To be Published
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2BHR
 | | Dengue virus RNA helicase | | Descriptor: | RNA HELICASE, SULFATE ION | | Authors: | Xu, T, Sampath, A, Chao, A, Wen, D, Nanao, M, Chene, P, Vasudevan, S.G, Lescar, J. | | Deposit date: | 2005-01-17 | | Release date: | 2005-08-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the Dengue Virus Helicase/Nucleoside Triphosphatase Catalytic Domain at a Resolution of 2.4 A.
J.Virol., 79, 2005
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2BO6
 | | DISSECTION OF MANNOSYLGLYCERATE SYNTHASE: AN ARCHETYPAL MANNOSYLTRANSFERASE | | Descriptor: | (2R)-2,3-DIHYDROXYPROPANOIC ACID, MANGANESE (II) ION, MANNOSYLGLYCERATE SYNTHASE | | Authors: | Flint, J, Taylor, E, Yang, M, Bolam, D.N, Tailford, L.E, Martinez-Fleites, C, Dodson, E.J, Davis, B.G, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2005-04-08 | | Release date: | 2005-06-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural Dissection and High-Throughput Screening of Mannosylglyceerate Synthase
Nat.Struct.Mol.Biol., 12, 2005
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2BSC
 | | E. coli F17a-G lectin domain complex with N-acetylglucosamine, high- resolution structure | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, F17A-G ADHESIN | | Authors: | Buts, L, Wellens, A, Van Molle, I, Wyns, L, Loris, R, Lahmann, M, Oscarson, S, De Greve, H, Bouckaert, J. | | Deposit date: | 2005-05-20 | | Release date: | 2006-05-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Impact of Natural Variation in Bacterial F17G Adhesins on Crystallization Behaviour.
Acta Crystallogr.,Sect.D, 61, 2005
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3LW9
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2C5Z
 | | Structure and CTD binding of the Set2 SRI domain | | Descriptor: | SET DOMAIN PROTEIN 2 | | Authors: | Vojnic, E, Simon, B, Strahl, B.D, Sattler, M, Cramer, P. | | Deposit date: | 2005-11-03 | | Release date: | 2005-11-14 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure and carboxyl-terminal domain (CTD) binding of the Set2 SRI domain that couples histone H3 Lys36 methylation to transcription.
J. Biol. Chem., 281, 2006
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2BP4
 | | Zinc-binding domain of Alzheimer's disease amyloid beta-peptide in TFE-water (80-20) solution | | Descriptor: | AMYLOID BETA A4 PROTEIN | | Authors: | Zirah, S, Kozin, S.A, Mazur, A.K, Blond, A, Cheminant, M, Segalas-Milazzo, I, Debey, P, Rebuffat, S. | | Deposit date: | 2005-04-18 | | Release date: | 2005-04-21 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Changes of Region 1-16 of the Alzheimer Disease Amyloid Beta-Peptide Upon Zinc Binding and in Vitro Aging.
J.Biol.Chem., 281, 2006
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3LXO
 | | The crystal structure of ribonuclease A in complex with thymidine-3'-monophosphate | | Descriptor: | Ribonuclease pancreatic, THYMIDINE-3'-PHOSPHATE | | Authors: | Doucet, N, Jayasundera, T.B, Simonovic, M, Loria, J.P. | | Deposit date: | 2010-02-25 | | Release date: | 2010-04-28 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.549 Å) | | Cite: | The crystal structure of ribonuclease A in complex with thymidine-3'-monophosphate provides further insight into ligand binding.
Proteins, 78, 2010
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7B1I
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3LZ9
 | | The Crystal Structure of 5-epi-aristolochene synthase M4 mutant complexed with (2-trans,6-trans)-2-fluorofarnesyl diphosphate | | Descriptor: | (2Z,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, Aristolochene synthase, MAGNESIUM ION | | Authors: | Noel, J.P, Dellas, N, Faraldos, J.A, Zhao, M, Hess Jr, B.A, Smentek, L, Coates, R.M, O'Maille, P.E. | | Deposit date: | 2010-03-01 | | Release date: | 2010-04-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural elucidation of cisoid and transoid cyclization pathways of a sesquiterpene synthase using 2-fluorofarnesyl diphosphates.
Acs Chem.Biol., 5, 2010
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2BGW
 | | XPF from Aeropyrum pernix, complex with DNA | | Descriptor: | 5'-D(*GP*AP*TP*CP*AP*CP*AP*GP*AP*TP *GP*CP*TP*GP*A)-3', 5'-D(*TP*CP*AP*GP*CP*AP*TP*CP*TP*GP *TP*GP*AP*TP*C)-3', MAGNESIUM ION, ... | | Authors: | Newman, M, Murray-Rust, J, Lally, J, Rudolf, J, Fadden, A, Knowles, P.P, White, M.F, McDonald, N.Q. | | Deposit date: | 2005-01-06 | | Release date: | 2005-02-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of an XPF endonuclease with and without DNA suggests a model for substrate recognition.
EMBO J., 24, 2005
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2BKD
 | | Structure of the N-terminal domain of Fragile X Mental Retardation Protein | | Descriptor: | Fragile X messenger ribonucleoprotein 1 | | Authors: | Ramos, A, Hollingworth, D, Adinolfi, S, Castets, M, Kelly, G, Frenkiel, T.A, Bardoni, B, Pastore, A. | | Deposit date: | 2005-02-15 | | Release date: | 2006-01-18 | | Last modified: | 2023-02-01 | | Method: | SOLUTION NMR | | Cite: | The structure of the N-terminal domain of the fragile X mental retardation protein: a platform for protein-protein interaction.
Structure, 14, 2006
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3LXD
 | | Crystal Structure of Ferredoxin Reductase ArR from Novosphingobium aromaticivorans | | Descriptor: | FAD-dependent pyridine nucleotide-disulphide oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Yang, W, Bell, S.G, Wang, H, Bartlam, M, Wong, L.L, Rao, Z. | | Deposit date: | 2010-02-25 | | Release date: | 2010-06-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular characterization of a class I P450 electron transfer system from Novosphingobium aromaticivorans DSM12444
J.Biol.Chem., 285, 2010
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2C58
 | | Torpedo californica acetylcholinesterase in complex with 20mM acetylthiocholine | | Descriptor: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | | Authors: | Colletier, J.P, Fournier, D, Greenblatt, H.M, Sussman, J.L, Zaccai, G, Silman, I, Weik, M. | | Deposit date: | 2005-10-26 | | Release date: | 2006-06-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Insights Into Substrate Traffic and Inhibition in Acetylcholinesterase.
Embo J., 25, 2006
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3LVT
 | | The Crystal Structure of a Protein in the Glycosyl Hydrolase Family 38 from Enterococcus faecalis to 2.55A | | Descriptor: | CALCIUM ION, Glycosyl hydrolase, family 38 | | Authors: | Stein, A.J, Binkowski, T.A, Weger, A, Borovilos, M, Moy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-02-22 | | Release date: | 2010-03-16 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | The Crystal Structure of a Protein in the Glycosyl Hydrolase Family 38 from Enterococcus faecalis to 2.55A
To be Published
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2BNG
 | | Structure of an M.tuberculosis LEH-like epoxide hydrolase | | Descriptor: | CALCIUM ION, MB2760 | | Authors: | Johansson, P, Arand, M, Unge, T, Bergfors, T, Jones, T.A, Mowbray, S.L. | | Deposit date: | 2005-03-24 | | Release date: | 2005-08-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of an Atypical Epoxide Hydrolase from Mycobacterium Tuberculosis Gives Insights Into its Function.
J.Mol.Biol., 351, 2005
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2BQ4
 | | Crystal structure of type I cytochrome c3 from Desulfovibrio africanus | | Descriptor: | BASIC CYTOCHROME C3, CALCIUM ION, HEME C | | Authors: | Czjzek, M, Pieulle, L, Morelli, X, Guerlesquin, F, Hatchikian, E.C. | | Deposit date: | 2005-04-27 | | Release date: | 2005-05-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | The Type I / Type II Cytochrome C(3) Complex: An Electron Transfer Link in the Hydrogen-Sulfate Reduction Pathway.
J.Mol.Biol., 354, 2005
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8H99
 | | Crystal structure of E. coli ThrS catalytic domain mutant | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, IMIDAZOLE, MAGNESIUM ION, ... | | Authors: | Qiao, H, Xia, M, Wang, J, Fang, P. | | Deposit date: | 2022-10-25 | | Release date: | 2023-02-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion.
Commun Biol, 6, 2023
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8H9C
 | | Crystal structure of chemically modified E. coli ThrS catalytic domain 4 | | Descriptor: | N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION | | Authors: | Qiao, H, Xia, M, Wang, J, Fang, P. | | Deposit date: | 2022-10-25 | | Release date: | 2023-02-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion.
Commun Biol, 6, 2023
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8HJB
 | | Crystal structure of Pseudomonas aeruginosa PvrA with coenzyme A | | Descriptor: | COENZYME A, TetR family transcriptional regulator | | Authors: | Liang, H, Bartlam, M. | | Deposit date: | 2022-11-23 | | Release date: | 2023-02-08 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Regulatory and structural mechanisms of PvrA-mediated regulation of the PQS quorum-sensing system and PHA biosynthesis in Pseudomonas aeruginosa.
Nucleic Acids Res., 51, 2023
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