6XQB
 
 | | SARS-CoV-2 RdRp/RNA complex | | Descriptor: | MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ... | | Authors: | Liu, B, Shi, W, Yang, Y. | | Deposit date: | 2020-07-09 | | Release date: | 2020-07-29 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure of SARS-CoV-2 RdRp/RNA complex at 3.4 Angstroms resolution
To Be Published
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6O8A
 | | Thaumatin native-SAD structure determined at 5 keV from microcrystals | | Descriptor: | L(+)-TARTARIC ACID, Thaumatin-1 | | Authors: | Guo, G, Zhu, P, Fuchs, M.R, Shi, W, Andi, B, Gao, Y, Hendrickson, W.A, McSweeney, S, Liu, Q. | | Deposit date: | 2019-03-09 | | Release date: | 2019-05-08 | | Last modified: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Synchrotron microcrystal native-SAD phasing at a low energy.
Iucrj, 6, 2019
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6VCG
 | | Crystal structure of Nitrosotalea devanaterra carotenoid cleavage dioxygenase, cobalt form | | Descriptor: | CHLORIDE ION, COBALT (II) ION, SODIUM ION, ... | | Authors: | Daruwalla, A, Shi, W, Kiser, P.D. | | Deposit date: | 2019-12-20 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for carotenoid cleavage by an archaeal carotenoid dioxygenase.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6VCH
 | | Crystal structure of Nitrosotalea devanaterra carotenoid cleavage dioxygenase in complex with 3-hydroxy-beta-apo-14'-carotenal | | Descriptor: | (2E,4E,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal, CHLORIDE ION, COBALT (II) ION, ... | | Authors: | Daruwalla, A, Shi, W, Kiser, P.D. | | Deposit date: | 2019-12-20 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural basis for carotenoid cleavage by an archaeal carotenoid dioxygenase.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6VCF
 | | Crystal structure of Nitrosotalea devanaterra carotenoid cleavage dioxygenase, iron form | | Descriptor: | BICARBONATE ION, CHLORIDE ION, FE (II) ION, ... | | Authors: | Daruwalla, A, Shi, W, Kiser, P.D. | | Deposit date: | 2019-12-20 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.687 Å) | | Cite: | Structural basis for carotenoid cleavage by an archaeal carotenoid dioxygenase.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8ENA
 | | Thaumatin native-SAD structure determined at 5 keV with a helium environmet | | Descriptor: | Thaumatin-1 | | Authors: | Karasawa, A, Andi, B, Ruchs, M.R, Shi, W, McSweeney, S, Hendrickson, W.A, Liu, Q. | | Deposit date: | 2022-09-29 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Multi-crystal native-SAD phasing at 5 keV with a helium environment.
Iucrj, 9, 2022
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8EN9
 | | TehA native-SAD structure determined at 5 keV with a helium environment | | Descriptor: | CHLORIDE ION, SODIUM ION, Tellurite resistance protein TehA homolog, ... | | Authors: | Karasawa, A, Andi, B, Ruchs, M.R, Shi, W, McSweeney, S, Hendrickson, W.A, Liu, Q. | | Deposit date: | 2022-09-29 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Multi-crystal native-SAD phasing at 5 keV with a helium environment.
Iucrj, 9, 2022
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8F2E
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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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4O63
 | | 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: | 2013-12-20 | | Release date: | 2014-09-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.93 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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4OU8
 | | Crystal structure of apocarotenoid oxygenase in the presence of C8E6 | | Descriptor: | Apocarotenoid-15,15'-oxygenase, CHLORIDE ION, FE (II) ION | | Authors: | Sui, X, Shi, W, Palczewski, K, Kiser, P.D. | | Deposit date: | 2014-02-15 | | Release date: | 2014-03-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Analysis of Carotenoid Isomerase Activity in a Prototypical Carotenoid Cleavage Enzyme, Apocarotenoid Oxygenase (ACO).
J.Biol.Chem., 289, 2014
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4Q2R
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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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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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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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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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5FTE
 | | Crystal structure of Pif1 helicase from Bacteroides in complex with ADP-AlF3 and ssDNA | | Descriptor: | 5'-D(*TP*TP*TP*TP*TP*TP)-3', ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, ... | | 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 (3.19 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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4F2Z
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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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1RT8
 | | CRYSTAL STRUCTURE OF THE ACTIN-CROSSLINKING CORE OF SCHIZOSACCHAROMYCES POMBE FIMBRIN | | Descriptor: | SULFATE ION, fimbrin | | Authors: | Klein, M.G, Shi, W, Ramagopal, U, Tseng, Y, Wirtz, D, Kovar, D.R, Staiger, C.J, Almo, S.C. | | Deposit date: | 2003-12-10 | | Release date: | 2004-06-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the actin crosslinking core of fimbrin.
Structure, 12, 2004
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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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2PMB
 | | Crystal structure of predicted nucleotide-binding protein from Vibrio cholerae | | Descriptor: | GLYCEROL, PHOSPHATE ION, Uncharacterized protein | | Authors: | Patskovsky, Y, Zhan, C, Shi, W, Toro, R, Sauder, J.M, Gilmore, J, Iizuka, M, Maletic, M, Gheyi, T, Wasserman, S.R, Smith, D, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-04-20 | | Release date: | 2007-05-08 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Crystal Structure of Predicted Nucleotide-Binding Protein from Vibrio Cholerae.
To be Published
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