3G9R
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4L33
| Tankyrase 2 in complex with cyanomethyl 4-(4-oxo-4H-chromen-2-yl)benzoate | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-06-05 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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4L7C
| Structure of keap1 kelch domain with 2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione | Descriptor: | 2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione, ACETATE ION, Kelch-like ECH-associated protein 1 | Authors: | Jnoff, E, Brookfield, F, Albrecht, C, Barker, J.J, Barker, O, Beaumont, E, Bromidge, S, Brooks, M, Ceska, T, Courade, J.P, Crabbe, T, Duclos, S, Fryatt, T, Jigorel, E, Kwong, J, Sands, Z, Smith, M.A. | Deposit date: | 2013-06-13 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex. Chemmedchem, 9, 2014
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5RF5
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z3241250482 | Descriptor: | 1,1-bis(oxidanylidene)thietan-3-ol, 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: | 2020-03-15 | Release date: | 2020-03-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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6IZ0
| Crystal Structure Analysis of a Eukaryotic Membrane Protein | Descriptor: | CALCIUM ION, CHLORIDE ION, Trimeric intracellular cation channel type A | Authors: | Wang, X.H, Zeng, Y, Gao, F, Su, M, Chen, Y.H. | Deposit date: | 2018-12-18 | Release date: | 2019-05-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for activity of TRIC counter-ion channels in calcium release. Proc.Natl.Acad.Sci.USA, 116, 2019
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3GAA
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3P12
| Crystal Structure of D-ribose Pyranase Sa240 | Descriptor: | D-ribose pyranase, GLYCEROL | Authors: | Wu, M, Wang, L, Zang, J. | Deposit date: | 2010-09-29 | Release date: | 2011-05-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of Sa240: A ribose pyranase homolog with partial active site from Staphylococcus aureus J.Struct.Biol., 174, 2011
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5RFP
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102190 | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(1S)-1-(3-chlorophenyl)ethyl]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 (2.03 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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2P27
| Crystal Structure of Human Pyridoxal Phosphate Phosphatase with Mg2+ at 1.9 A resolution | Descriptor: | MAGNESIUM ION, Pyridoxal phosphate phosphatase | Authors: | Ramagopal, U.A, Freeman, J, Izuka, M, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-03-07 | Release date: | 2007-03-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural genomics of protein phosphatases. J.Struct.Funct.Genom., 8, 2007
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6GIX
| Water-soluble Chlorophyll Protein (WSCP) from Lepidium virginicum (Mutation L91P) with Chlorophyll-b | Descriptor: | CHLOROPHYLL B, Water-soluble chlorophyll protein | Authors: | Palm, D.M, Agostini, A, Averesch, V, Girr, P, Werwie, M, Takahashi, S, Satoh, H, Jaenicke, E, Paulsen, H. | Deposit date: | 2018-05-15 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Chlorophyll a/b binding-specificity in water-soluble chlorophyll protein. Nat Plants, 4, 2018
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6H58
| Structure of a hibernating 100S ribosome reveals an inactive conformation of the ribosomal protein S1 - Full 100S Hibernating E. coli Ribosome | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S1, ... | Authors: | Beckert, B, Turk, M, Czech, A, Berninghausen, O, Beckmann, R, Ignatova, Z, Plitzko, J, Wilson, D.N. | Deposit date: | 2018-07-24 | Release date: | 2018-09-05 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (7.9 Å) | Cite: | Structure of a hibernating 100S ribosome reveals an inactive conformation of the ribosomal protein S1. Nat Microbiol, 3, 2018
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5RGQ
| PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1849009686 (Mpro-x1086) | Descriptor: | 1-(4-fluoro-2-methylphenyl)methanesulfonamide, 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 (2.15 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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3GCI
| Crystal Structure of the Complex Formed Between a New Isoform of Phospholipase A2 with C-terminal Amyloid Beta Heptapeptide at 2 A Resolution | Descriptor: | CALCIUM ION, Heptapeptide from Amyloid beta A4 protein, Phospholipase A2 isoform 3 | Authors: | Mirza, Z, Vikram, G, Singh, N, Sinha, M, Bhushan, A, Sharma, S, Srinivasan, A, Kaur, P, Singh, T.P. | Deposit date: | 2009-02-22 | Release date: | 2009-03-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Crystal Structure of the Complex Formed Between a New Isoform of Phospholipase A2 with C-terminal Amyloid Beta Heptapeptide at 2 A Resolution To be Published
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3BJL
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6GJD
| Erk2 signalling protein | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Mitogen-activated protein kinase 1, ... | Authors: | O'Reilly, M. | Deposit date: | 2018-05-16 | Release date: | 2019-01-02 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Quantitation of ERK1/2 inhibitor cellular target occupancies with a reversible slow off-rate probe. Chem Sci, 9, 2018
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4PAG
| ABC transporter solute binding protein from Sulfurospirillum deleyianum DSM 6946 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, HISTIDINE, ... | Authors: | Chang, C, Endres, M, Li, H, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-04-08 | Release date: | 2014-04-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Crystal structure of ABC transporter solute binding protein from Sulfurospirillum deleyianum DSM 6946 To Be Published
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4PB4
| D-threo-3-hydroxyaspartate dehydratase H351A mutant complexed with 2-amino maleic acid | Descriptor: | 2-amino maleic acid, D-threo-3-hydroxyaspartate dehydratase, MAGNESIUM ION, ... | Authors: | Yasutake, Y, Matsumoto, Y, Wada, M. | Deposit date: | 2014-04-11 | Release date: | 2015-03-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into the substrate stereospecificity of D-threo-3-hydroxyaspartate dehydratase from Delftia sp. HT23: a useful enzyme for the synthesis of optically pure L-threo- and D-erythro-3-hydroxyaspartate. Appl.Microbiol.Biotechnol., 99, 2015
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4LB1
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6J4X
| RNA polymerase II elongation complex bound with Elf1 and Spt4/5, stalled at SHL(-1) of the nucleosome (+1A) | Descriptor: | DNA (198-MER), DNA-directed RNA polymerase subunit, DNA-directed RNA polymerase subunit beta, ... | Authors: | Ehara, H, Kujirai, T, Fujino, Y, Shirouzu, M, Kurumizaka, H, Sekine, S. | Deposit date: | 2019-01-10 | Release date: | 2019-02-20 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structural insight into nucleosome transcription by RNA polymerase II with elongation factors. Science, 363, 2019
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6J4Z
| RNA polymerase II elongation complex bound with Spt4/5 and foreign DNA, stalled at SHL(-1) of the nucleosome | Descriptor: | DNA (198-MER), DNA (42-MER), DNA-directed RNA polymerase subunit, ... | Authors: | Ehara, H, Kujirai, T, Fujino, Y, Shirouzu, M, Kurumizaka, H, Sekine, S. | Deposit date: | 2019-01-10 | Release date: | 2019-02-20 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural insight into nucleosome transcription by RNA polymerase II with elongation factors. Science, 363, 2019
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3GDJ
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1L7F
| Crystal structure of influenza virus neuraminidase in complex with BCX-1812 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, ... | Authors: | Smith, B.J, McKimm-Breshkin, J.L, McDonald, M, Fernley, R.T, Varghese, J.N, Colman, P.M. | Deposit date: | 2002-03-15 | Release date: | 2002-05-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural studies of the resistance of influenza virus neuramindase to inhibitors. J.Med.Chem., 45, 2002
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6GMM
| Crystal structure of Helicobacter pylori adhesin LabA | Descriptor: | adhesin LabA | Authors: | Paraskevopoulou, V, Overman, R.C, Stolnik, S, Winkler, S, Gellert, P, Falcone, F.H, Schimpl, M. | Deposit date: | 2018-05-27 | Release date: | 2019-12-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structural and binding characterization of the LacdiNAc-specific adhesin (LabA; HopD) exodomain from Helicobacter pylori Current Research in Structural Biology, 2021
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6J7A
| Fusion protein of heme oxygenase-1 and NADPH cytochrome P450 reductase (17aa) | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Heme oxygenase 1,NADPH--cytochrome P450 reductase, ... | Authors: | Sugishima, M, Sato, H, Wada, K, Yamamoto, K. | Deposit date: | 2019-01-17 | Release date: | 2019-04-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.269 Å) | Cite: | Crystal structure of a NADPH-cytochrome P450 oxidoreductase (CYPOR) and heme oxygenase 1 fusion protein implies a conformational change in CYPOR upon NADPH/NADP+binding. Febs Lett., 593, 2019
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3GF0
| Bifunctional dCTP deaminase-dUTPase mutant enzyme variant E145Q from Methanocaldococcus jannaschii in complex with pyrophosphate and magnesium | Descriptor: | MAGNESIUM ION, PYROPHOSPHATE 2-, dCTP deaminase, ... | Authors: | Siggaard, J.H.B, Johansson, E, Vognsen, T, Helt, S.S, Harris, P, Willemoes, M. | Deposit date: | 2009-02-26 | Release date: | 2009-03-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Pre-steady State Kinetic and Structural Evidence for a Concerted Biofunctionality in dCTP deaminase-dUTPase from Methanocaldococcus jannaschii To be Published
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