1J9A
| OLIGORIBONUCLEASE | Descriptor: | OLIGORIBONUCLEASE, SULFATE ION | Authors: | Bonander, N, Tordova, M, Ladner, J.E, Eisenstein, E, Gilliland, G.L, Structure 2 Function Project (S2F) | Deposit date: | 2001-05-24 | Release date: | 2003-06-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Crystal Structure of Haemophilus Influenzae HI1715, an Oligoribonuclease To be Published
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3SD8
| Crystal structure of Ara-FHNA decamer DNA | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(F4H)P*AP*CP*GP*C)-3', STRONTIUM ION | Authors: | Egli, M, Pallan, P.S. | Deposit date: | 2011-06-08 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structural Origins of Opposite Effects on Stability by Axial and Equatorial 3'-Fluoro Modifications of Hexitol Nucleic Acid (HNA) To be Published
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5RFN
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102868 | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-fluorophenyl)acetamide | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | Deposit date: | 2020-03-15 | Release date: | 2020-03-25 | Last modified: | 2021-02-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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3F8R
| Crystal structure of Sulfolobus solfataricus Thioredoxin reductase B3 in complex with two NADP molecules | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase (TrxB-3) | Authors: | Ruggiero, A, Masullo, M, Ruocco, M.R, Arcari, P, Zagari, A, Vitagliano, L. | Deposit date: | 2008-11-13 | Release date: | 2009-01-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure and stability of a thioredoxin reductase from Sulfolobus solfataricus: a thermostable protein with two functions Biochim.Biophys.Acta, 1794, 2009
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5RG1
| PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00024905 | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, Nalpha-acetyl-N-(3-bromoprop-2-yn-1-yl)-L-tyrosinamide | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | Deposit date: | 2020-03-18 | Release date: | 2020-04-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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4LUD
| Crystal Structure of HCK in complex with the fluorescent compound SKF86002 | Descriptor: | 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole, CALCIUM ION, CHLORIDE ION, ... | Authors: | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | Deposit date: | 2013-07-25 | Release date: | 2014-02-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002. Acta Crystallogr.,Sect.D, 70, 2014
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1IVI
| Crystal Structure of pig dihydrolipoamide dehydrogenase | Descriptor: | dihydrolipoamide dehydrogenase | Authors: | Toyoda, T, Kobayashi, R, Sekiguchi, T, Koike, K, Koike, M, Takenaka, A. | Deposit date: | 2002-03-15 | Release date: | 2003-03-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (8 Å) | Cite: | Crystallization and preliminary X-ray analysis of pig E3, lipoamide dehydrogenase. Acta Crystallogr.,Sect.D, 54, 1998
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5RGH
| PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1619978933 (Mpro-x0395) | Descriptor: | 3C-like proteinase, 5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | Deposit date: | 2020-04-07 | Release date: | 2020-04-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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2Z1Y
| Crystal structure of LysN, alpha-aminoadipate aminotransferase (complexed with N-(5'-phosphopyridoxyl)-L-leucine), from Thermus thermophilus HB27 | Descriptor: | Alpha-aminodipate aminotransferase, LEUCINE, PYRIDOXAL-5'-PHOSPHATE | Authors: | Tomita, T, Miyazaki, T, Miyagawa, T, Fushinobu, S, Kuzuyama, T, Nishiyama, M. | Deposit date: | 2007-05-16 | Release date: | 2008-06-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Mechanism of broad substrate specificity of alpha-aminoadipate aminotransferase from Thermus thermophilus To be Published
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5RGK
| PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1310876699 (Mpro-x0426) | Descriptor: | 2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | Deposit date: | 2020-04-07 | Release date: | 2020-04-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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4KVJ
| Crystal structure of Oryza sativa fatty acid alpha-dioxygenase with hydrogen peroxide | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Zhu, G, Koszelak-Rosenblum, M, Malkowski, M.G. | Deposit date: | 2013-05-22 | Release date: | 2013-08-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Crystal structures of alpha-dioxygenase from Oryza sativa: Insights into substrate binding and activation by hydrogen peroxide. Protein Sci., 22, 2013
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3S46
| The crystal structure of alanine racemase from streptococcus pneumoniae | Descriptor: | Alanine racemase, BENZOIC ACID | Authors: | Im, H, Sharpe, M.L, Strych, U, Davlieva, M, Krause, K.L. | Deposit date: | 2011-05-18 | Release date: | 2011-06-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of alanine racemase from Streptococcus pneumoniae, a target for structure-based drug design. BMC MICROBIOL., 11, 2011
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3FAT
| X-ray structure of iGluR4 flip ligand-binding core (S1S2) in complex with (S)-AMPA at 1.90A resolution | Descriptor: | (S)-ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID, ACETIC ACID, GLYCEROL, ... | Authors: | Kasper, C, Frydenvang, K, Naur, P, Gajhede, M, Kastrup, J.S. | Deposit date: | 2008-11-18 | Release date: | 2008-12-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular mechanism of agonist recognition by the ligand-binding core of the ionotropic glutamate receptor 4 Febs Lett., 582, 2008
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5RHE
| PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PG-COV-42 (Mpro-x2052) | Descriptor: | 1-acetyl-N-(6-methoxypyridin-3-yl)piperidine-4-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | Deposit date: | 2020-05-16 | Release date: | 2020-06-10 | Last modified: | 2021-02-24 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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2Z3U
| Crystal Structure of Chromopyrrolic Acid Bound Cytochrome P450 StaP (CYP245A1) | Descriptor: | 1,2-ETHANEDIOL, 3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-2,5-DICARBOXYLIC ACID, Cytochrome P450, ... | Authors: | Makino, M, Sugimoto, H, Shiro, Y, Asamizu, S, Onaka, H, Nagano, S. | Deposit date: | 2007-06-06 | Release date: | 2007-07-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures and catalytic mechanism of cytochrome P450 StaP that produces the indolocarbazole skeleton Proc.Natl.Acad.Sci.Usa, 104, 2007
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4LY0
| Crystal structure WlaRD, a sugar 3N-formyl transferase in the presence of dTDP-Glc and 10-N-Formyl-THF | Descriptor: | 1,2-ETHANEDIOL, 2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSE, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ... | Authors: | Thoden, J.B, Goneau, M.-F, Gilbert, M, Holden, H.M. | Deposit date: | 2013-07-30 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of a sugar N-formyltransferase from Campylobacter jejuni. Biochemistry, 52, 2013
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1IXR
| RuvA-RuvB complex | Descriptor: | Holliday junction DNA helicase ruvA, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, RuvB | Authors: | Yamada, K, Miyata, T, Tsuchiya, D, Oyama, T, Fujiwara, Y, Ohnishi, T, Iwasaki, H, Shinagawa, H, Ariyoshi, M, Mayanagi, K, Morikawa, K. | Deposit date: | 2002-07-04 | Release date: | 2002-11-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal Structure of the RuvA-RuvB Complex: A Structural Basis for the Holliday Junction Migrating Motor Machinery Mol.Cell, 10, 2002
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1IY5
| Solution structure of wild type OMSVP3 | Descriptor: | OMSVP3 | Authors: | Hemmi, H, Kumazaki, T, Yamazaki, T, Kojima, S, Yoshida, T, Kyogoku, Y, Katsu, M, Yokosawa, H, Miura, K, Kobayashi, Y. | Deposit date: | 2002-07-23 | Release date: | 2003-03-11 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Inhibitory Specificity Change of Ovomucoid Third Domain of the Silver Pheasant upon Introduction of an Engineered Cys14-Cys39 Bond BIOCHEMISTRY, 42, 2003
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1IYP
| Toho-1 beta-Lactamase In Complex With Cephalothin | Descriptor: | CEPHALOTHIN GROUP, SULFATE ION, Toho-1 beta-lactamase | Authors: | Shimamura, T, Ibuka, A, Fushinobu, S, Wakagi, T, Ishiguro, M, Ishii, Y, Matsuzawa, H. | Deposit date: | 2002-09-04 | Release date: | 2002-12-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Acyl-intermediate Structures of the Extended-spectrum Class A beta -Lactamase, Toho-1, in Complex with Cefotaxime, Cephalothin, and Benzylpenicillin. J.Biol.Chem., 277, 2002
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3FHR
| High resolution crystal structure of mitogen-activated protein kinase-activated protein kinase 3 (MK3)-inhibitor complex | Descriptor: | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP kinase-activated protein kinase 3 | Authors: | Cheng, R.K.Y, Barker, J, Palan, S, Felicetti, B, Whittaker, M, Hesterkamp, T. | Deposit date: | 2008-12-10 | Release date: | 2009-12-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-resolution crystal structure of human Mapkap kinase 3 in complex with a high affinity ligand Protein Sci., 19, 2010
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1N15
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4KYV
| Crystal Structure of dehalogenase HaloTag2 with HALTS at the resolution 1.8A. Northeast Structural Genomics Consortium (NESG) Target OR150 | Descriptor: | N-(2-ethoxy-3,5-dimethylbenzyl)-1H-tetrazol-5-amine, SODIUM ION, dehalogenase HaloTag2 | Authors: | Kuzin, A, Lew, S, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-05-29 | Release date: | 2013-07-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.796 Å) | Cite: | Northeast Structural Genomics Consortium Target OR150 To be Published
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3FI1
| NhaA dimer model | Descriptor: | Na(+)/H(+) antiporter nhaA | Authors: | Appel, M, Hizlan, D, Vinothkumar, K.R, Ziegler, C, Kuehlbrandt, W. | Deposit date: | 2008-12-10 | Release date: | 2009-01-13 | Last modified: | 2024-02-21 | Method: | ELECTRON CRYSTALLOGRAPHY (7 Å) | Cite: | Conformations of NhaA, the Na/H exchanger from Escherichia coli, in the pH-activated and ion-translocating states J.Mol.Biol., 386, 2009
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1IZD
| Crystal structure of Aspergillus oryzae Aspartic Proteinase | Descriptor: | Aspartic proteinase, alpha-D-mannopyranose | Authors: | Kamitori, S, Ohtaki, A, Ino, H, Takeuchi, M. | Deposit date: | 2002-10-02 | Release date: | 2003-03-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of Aspergillus oryzae Aspartic Proteinase and its Complex with an Inhibitor Pepstatin at 1.9 A Resolution J.Mol.Biol., 326, 2003
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3FJC
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