5FTD
| Crystal structure of Pif1 helicase from Bacteroides apo form | Descriptor: | PHOSPHATE ION, TPR DOMAIN PROTEIN | Authors: | Chen, W.-F, Dai, Y.-X, Duan, X.-L, Liu, N.-N, Shi, W, Li, M, Dou, S.-X, Li, N, Dong, Y.-H, Rety, S, Xi, X.-G. | Deposit date: | 2016-01-12 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.695 Å) | Cite: | Crystal Structures of the Bspif1 Helicase Reveal that a Major Movement of the 2B SH3 Domain is Required for DNA Unwinding Nucleic Acids Res., 44, 2016
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5FTF
| Crystal structure of Pif1 helicase from Bacteroides double mutant L95C-I339C | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, TPR DOMAIN PROTEIN | Authors: | Chen, W.-F, Dai, Y.-X, Duan, X.-L, Liu, N.-N, Shi, W, Li, M, Dou, S.-X, Li, N, Dong, Y.-H, Rety, S, Xi, X.-G. | Deposit date: | 2016-01-13 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.412 Å) | Cite: | Crystal Structures of the Bspif1 Helicase Reveal that a Major Movement of the 2B SH3 Domain is Required for DNA Unwinding Nucleic Acids Res., 44, 2016
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5FTB
| Crystal structure of Pif1 helicase from Bacteroides in complex with AMPPNP | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, POTASSIUM ION, ... | Authors: | Chen, W.-F, Dai, Y.-X, Duan, X.-L, Liu, N.-N, Shi, W, Li, M, Dou, S.-X, Li, N, Dong, Y.-H, Rety, S, Xi, X.-G. | Deposit date: | 2016-01-12 | Release date: | 2016-02-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Crystal Structures of the Bspif1 Helicase Reveal that a Major Movement of the 2B SH3 Domain is Required for DNA Unwinding Nucleic Acids Res., 44, 2016
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2R9G
| Crystal structure of the C-terminal fragment of AAA ATPase from Enterococcus faecium | Descriptor: | AAA ATPase, central region, ACETATE ION, ... | Authors: | Ramagopal, U.A, Patskovsky, Y, Bonanno, J.B, Shi, W, Toro, R, Meyer, A.J, Rutter, M, Wu, B, Groshong, C, Gheyi, T, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-09-12 | Release date: | 2007-10-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal Structure of the C-Terminal Domain of AAA ATPase from Enterococcus faecium. To be Published
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2R5X
| Crystal structure of uncharacterized conserved protein YugN from Geobacillus kaustophilus HTA426 | Descriptor: | Uncharacterized conserved protein | Authors: | Ramagopal, U.A, Patskovsky, Y, Shi, W, Toro, R, Meyer, A.J, Freeman, J, Wu, B, Koss, J, Groshong, C, Rodgers, L, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-09-04 | Release date: | 2007-09-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Crystal structure of uncharacterized protein YugN from Geobacillus kaustophilus HTA426. To be Published
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6C7K
| Crystal structure of an ACO/RPE65 chimera | Descriptor: | Apocarotenoid-15,15'-oxygenase, CHLORIDE ION, FE (II) ION | Authors: | Kiser, P.D, Shi, W. | Deposit date: | 2018-01-22 | Release date: | 2018-04-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insights into the pathogenesis of dominant retinitis pigmentosa associated with a D477G mutation in RPE65. Hum.Mol.Genet., 27, 2018
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6C5Y
| Crystal structure of thaumatin from microcrystals | Descriptor: | Thaumatin-1 | Authors: | Guo, G, Fuchs, M, Shi, W, Skinner, J, Berman, E, Ogata, C.M, Hendrickson, W.A, McSweeney, S, Liu, Q. | Deposit date: | 2018-01-17 | Release date: | 2018-05-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Sample manipulation and data assembly for robust microcrystal synchrotron crystallography. IUCrJ, 5, 2018
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6C7P
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6C7O
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6BIG
| Crystal structure of cobalt-substituted Synechocystis ACO | Descriptor: | Apocarotenoid-15,15'-oxygenase, CHLORIDE ION, COBALT (II) ION | Authors: | Sui, X, Shi, W, Kiser, P.D. | Deposit date: | 2017-11-02 | Release date: | 2018-07-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Preparation and characterization of metal-substituted carotenoid cleavage oxygenases. J. Biol. Inorg. Chem., 23, 2018
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4O59
| Co-enzyme Induced Conformational Changes in Bovine Eye Glyceraldehyde 3-Phosphate Dehydrogenase | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Baker, B.Y, Shi, W, Wang, B, Palczewski, K. | Deposit date: | 2013-12-19 | Release date: | 2014-09-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | High-resolution crystal structures of the photoreceptor glyceraldehyde 3-phosphate dehydrogenase (GAPDH) with three and four-bound NAD molecules. Protein Sci., 23, 2014
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1N3I
| Crystal Structure of Mycobacterium tuberculosis PNP with transition state analog DADMe-ImmH | Descriptor: | 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, Purine Nucleoside Phosphorylase | Authors: | Lewandowicz, A, Shi, W, Evans, G.B, Tyler, P.C, Furneaux, R.H, Basso, L.A, Santos, D.S, Almo, S.C, Schramm, V.L. | Deposit date: | 2002-10-28 | Release date: | 2003-09-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Over-The-Barrier Transition State Analogues Provide New Chemistries for Inhibitor Design: The Case of Purine Nucleoside Phosphorylase BIOCHEMISTRY, 42, 2003
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7JYC
| Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Narlaprevir | Descriptor: | (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | Authors: | Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2020-08-30 | Release date: | 2020-09-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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7K3T
| Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) at 1.2 A Resolution and a Possible Capture of Zinc Binding Intermediate | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2020-09-13 | Release date: | 2020-09-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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7K6D
| SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.48 A Resolution (Cryo-protected) | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2020-09-19 | Release date: | 2020-09-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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7K40
| Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Boceprevir at 1.35 A Resolution | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, boceprevir (bound form) | Authors: | Kumaran, D, Andi, B, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2020-09-14 | Release date: | 2020-09-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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7K6E
| SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.63 A Resolution (Direct Vitrification) | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2020-09-19 | Release date: | 2020-09-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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1PXY
| Crystal structure of the actin-crosslinking core of Arabidopsis fimbrin | Descriptor: | fimbrin-like protein | Authors: | Klein, M.G, Shi, W, Tseng, Y, Wirtz, D, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2003-07-07 | Release date: | 2004-06-22 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the actin crosslinking core of fimbrin. Structure, 12, 2004
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7MNG
| Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor VBY-825 (Partial Occupancy) | Descriptor: | (2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name), 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2021-04-30 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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7MRR
| Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Leupeptin | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, LEUPEPTIN | Authors: | Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2021-05-08 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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1DQT
| THE CRYSTAL STRUCTURE OF MURINE CTLA4 (CD152) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, CYTOTOXIC T LYMPHOCYTE ASSOCIATED ANTIGEN 4 | Authors: | Ostrov, D.A, Shi, W, Schwartz, J.C, Almo, S.C, Nathenson, S.G. | Deposit date: | 2000-01-05 | Release date: | 2000-10-27 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of murine CTLA-4 and its role in modulating T cell responsiveness. Science, 290, 2000
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1F2K
| CRYSTAL STRUCTURE OF ACANTHAMOEBA CASTELLANII PROFILIN II, CUBIC CRYSTAL FORM | Descriptor: | PROFILIN II | Authors: | Fedorov, A.A, Shi, W, Mahoney, N, Kaiser, D.A, Almo, S.C. | Deposit date: | 2000-05-26 | Release date: | 2000-06-08 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A Comparative Structural Analysis of Profilins To be Published
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1INQ
| Structure of Minor Histocompatibility Antigen peptide, H13a, complexed to H2-Db | Descriptor: | BETA-2 MICROGLOBULIN, DIMETHYL SULFOXIDE, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | Authors: | Ostrov, D.A, Roden, M.M, Shi, W, Palmieri, E, Christianson, G.J, Mendoza, L, Villaflor, G, Tilley, D, Shastri, N, Grey, H, Almo, S.C, Roopenian, D, Nathenson, S.G. | Deposit date: | 2001-05-14 | Release date: | 2002-03-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | How H13 histocompatibility peptides differing by a single methyl group and lacking conventional MHC binding anchor motifs determine self-nonself discrimination. J.Immunol., 168, 2002
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1JUF
| Structure of Minor Histocompatibility Antigen peptide, H13b, complexed to H2-Db | Descriptor: | Beta-2-microglobulin, H13b peptide, H2-Db major histocompatibility antigen | Authors: | Ostrov, D.A, Roden, M.M, Shi, W, Palmieri, E, Christianson, G.J, Mendoza, L, Villaflor, G, Tilley, D, Shastri, N, Grey, H, Almo, S.C, Roopenian, D.C, Nathenson, S.G. | Deposit date: | 2001-08-24 | Release date: | 2002-03-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | How H13 histocompatibility peptides differing by a single methyl group and lacking conventional MHC binding anchor motifs determine self-nonself discrimination. J.Immunol., 168, 2002
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2O3J
| Structure of Caenorhabditis Elegans UDP-Glucose Dehydrogenase | Descriptor: | GLYCEROL, UDP-glucose 6-dehydrogenase | Authors: | Zhang, Y, Zhan, C, Patskovsky, Y, Ramagopal, U, Shi, W, Toro, R, Wengerter, B.C, Milst, S, Vidal, M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2006-12-01 | Release date: | 2006-12-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal Structure of Caenorhabditis Elegans Udp-Glucose Dehydrogenase To be Published
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