6ZPF
| Racemic compound of RNA duplexes. | Descriptor: | RNA (5'-R(*(0C)P*(0C)P*(0G)P*(0C)P*(0C)P*(0U)P*(0G)P*(0G))-3'), RNA (5'-R(*(0C)P*(0U)P*(0G)P*(0G)P*(0G)P*(0C)P*(0G)P*(0G))-3'), RNA (5'-R(*CP*CP*GP*CP*CP*UP*GP*G)-3'), ... | Authors: | Rypniewski, W. | Deposit date: | 2020-07-08 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.442 Å) | Cite: | Broken symmetry between RNA enantiomers in a crystal lattice. Nucleic Acids Res., 49, 2021
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6ZRL
| Racemic compound of RNA duplexes. | Descriptor: | RNA (5'-R(*(0C)P*(0C)P*(0G)P*(0C)P*(0C)P*(0U)P*(0G)P*(0G))-3'), RNA (5'-R(*(0C)P*(0U)P*(0G)P*(0G)P*(0G)P*(0C)P*(0G)P*(0G))-3'), RNA (5'-R(*CP*CP*GP*CP*CP*UP*GP*G)-3'), ... | Authors: | Rypniewski, W. | Deposit date: | 2020-07-13 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Broken symmetry between RNA enantiomers in a crystal lattice. Nucleic Acids Res., 49, 2021
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6ZW3
| Racemic compound of RNA duplexes. | Descriptor: | RNA (5'-R(*(0C)P*(0C)P*(0G)P*(0C)P*(0C)P*(0U)P*(0G)P*(0G))-3'), RNA (5'-R(*(0C)P*(0U)P*(0G)P*(0G)P*(0G)P*(0C)P*(0G)P*(0G))-3'), RNA (5'-R(*CP*CP*GP*CP*CP*UP*GP*G)-3'), ... | Authors: | Rypniewski, W. | Deposit date: | 2020-07-27 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.522 Å) | Cite: | Broken symmetry between RNA enantiomers in a crystal lattice. Nucleic Acids Res., 49, 2021
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7A9S
| Racemic compound of RNA duplexes. | Descriptor: | RNA (5'-R(*(0C)P*(0C)P*(0G)P*(0C)P*(0C)P*(0U)P*(0G)P*(0G))-3'), RNA (5'-R(*(0C)P*(0U)P*(0G)P*(0G)P*(0G)P*(0C)P*(0G)P*(0G))-3'), RNA (5'-R(*CP*CP*GP*CP*CP*UP*GP*G)-3'), ... | Authors: | Rypniewski, W. | Deposit date: | 2020-09-02 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Broken symmetry between RNA enantiomers in a crystal lattice. Nucleic Acids Res., 49, 2021
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7A9Q
| Racemic compound of RNA duplexes. | Descriptor: | RNA (5'-R(*(0C)P*(0C)P*(0G)P*(0C)P*(0C)P*(0U)P*(0G)P*(0G))-3'), RNA (5'-R(*(0C)P*(0U)P*(0G)P*(0G)P*(0G)P*(0C)P*(0G)P*(0G))-3'), RNA (5'-R(*CP*CP*GP*CP*CP*UP*GP*G)-3'), ... | Authors: | Rypniewski, W. | Deposit date: | 2020-09-02 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.185 Å) | Cite: | Broken symmetry between RNA enantiomers in a crystal lattice. Nucleic Acids Res., 49, 2021
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4W5U
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4W5Z
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5NOO
| Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP and Tomudex | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase | Authors: | Wilk, P, Jarmula, A, Maj, P, Dowiercial, A, Banaszak, K, Rypniewski, W, Rode, W. | Deposit date: | 2017-04-12 | Release date: | 2017-05-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS. J. Mol. Graph. Model., 77, 2017
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6QIS
| Crystal structure of CAG repeats with synthetic CMBL3a compound (model II) | Descriptor: | CMBL3a, RNA (5'-R(*GP*CP*AP*GP*CP*AP*GP*C)-3'), SULFATE ION | Authors: | Kiliszek, A, Blaszczyk, L, Rypniewski, W, Nakatani, K. | Deposit date: | 2019-01-21 | Release date: | 2019-09-25 | Last modified: | 2019-11-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats. Nucleic Acids Res., 47, 2019
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6QIV
| Crystal structure of seleno-derivative CAG repeats with synthetic CMBL4 compound | Descriptor: | CMBL4, RNA (5'-R(*GP*CP*AP*GP*CP*AP*GP*C)-3') | Authors: | Kiliszek, A, Blaszczyk, L, Rypniewski, W, Nakatani, K. | Deposit date: | 2019-01-21 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats. Nucleic Acids Res., 47, 2019
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3D7W
| Mistletoe Lectin I in Complex with Zeatin | Descriptor: | (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, (2Z)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Meyer, A, Rypniewski, W, Szymanski, M, Voelter, W, Barciszewski, J, Betzel, C. | Deposit date: | 2008-05-22 | Release date: | 2008-06-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structure of mistletoe lectin I from Viscum album in complex with the phytohormone zeatin Biochim.Biophys.Acta, 1784, 2008
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5MWI
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6QIQ
| Crystal structure of seleno-derivative CAG repeats with synthetic CMBL3a compound | Descriptor: | CMBL3a, RNA (5'-R(*GP*CP*AP*G)-D(P*(CSL))-R(P*AP*GP*C)-3') | Authors: | Kiliszek, A, Blaszczyk, L, Rypniewski, W, Micura, R, Nakatani, K. | Deposit date: | 2019-01-21 | Release date: | 2019-09-25 | Last modified: | 2019-11-20 | Method: | X-RAY DIFFRACTION (2.519 Å) | Cite: | Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats. Nucleic Acids Res., 47, 2019
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6QIT
| Crystal structure of CAG repeats with synthetic CMBL3b compound | Descriptor: | CMBL3a, RNA (5'-R(*GP*CP*AP*GP*CP*AP*GP*C)-3') | Authors: | Kiliszek, A, Blaszczyk, L, Rypniewski, W, Nakatani, K. | Deposit date: | 2019-01-21 | Release date: | 2019-09-25 | Last modified: | 2019-11-20 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats. Nucleic Acids Res., 47, 2019
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6QIR
| Crystal structure of CAG repeats with synthetic CMBL3a compound (model I) | Descriptor: | CMBL3a, RNA (5'-R(*GP*CP*AP*GP*CP*AP*GP*C)-3') | Authors: | Kiliszek, A, Blaszczyk, L, Rypniewski, W, Nakatani, K. | Deposit date: | 2019-01-21 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.531 Å) | Cite: | Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats. Nucleic Acids Res., 47, 2019
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6HNU
| Crystal structure of the aminotransferase Aro8 from C. Albicans with ligands | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Aromatic amino acid aminotransferase I, ... | Authors: | Kiliszek, A, Rzad, K, Rypniewski, W, Milewski, S, Gabriel, I. | Deposit date: | 2018-09-17 | Release date: | 2019-02-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of aminotransferases Aro8 and Aro9 from Candida albicans and structural insights into their properties. J.Struct.Biol., 205, 2019
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5BY6
| Crystal structure of Trichinella spiralis thymidylate synthase complexed with dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, ... | Authors: | Dowiercial, A, Jarmula, A, Rypniewski, W, Fraczyk, T, Wilk, P, Rode, W. | Deposit date: | 2015-06-10 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS. J. Mol. Graph. Model., 77, 2017
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4E5O
| Crystal structure of mouse thymidylate synthase in complex with dUMP | Descriptor: | 1,4-BUTANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | Authors: | Dowiercial, A, Jarmula, A, Rypniewski, W, Sokolowska, M, Fraczyk, T, Ciesla, J, Rode, W. | Deposit date: | 2012-03-14 | Release date: | 2012-04-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme Struct Chem, 2016
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7ARS
| The de novo designed hybrid alpha/beta-miniprotein (with Se-Methionine) | Descriptor: | MAGNESIUM ION, alpha/beta-peptide, trifluoroacetic acid | Authors: | Bejger, M, Fortuna, P, Drewniak-Switalska, M, Rypniewski, W, Berlicki, L. | Deposit date: | 2020-10-26 | Release date: | 2021-07-14 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | A computationally designed beta-amino acid-containing miniprotein. Chem.Commun.(Camb.), 57, 2021
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7ARR
| The de novo designed hybrid alpha/beta-miniprotein | Descriptor: | CHLORIDE ION, MAGNESIUM ION, alpha/beta-peptide, ... | Authors: | Bejger, M, Fortuna, P, Drewniak-Switalska, M, Rypniewski, W, Berlicki, L. | Deposit date: | 2020-10-26 | Release date: | 2021-07-14 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | A computationally designed beta-amino acid-containing miniprotein. Chem.Commun.(Camb.), 57, 2021
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4MB4
| Crystal structure of E153Q mutant of cold-adapted chitinase from Moritella complex with Nag4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase 60, GLYCEROL, ... | Authors: | Malecki, P.H, Vorgias, C.E, Rypniewski, W. | Deposit date: | 2013-08-19 | Release date: | 2014-03-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.481 Å) | Cite: | Crystal structures of substrate-bound chitinase from the psychrophilic bacterium Moritella marina and its structure in solution Acta Crystallogr.,Sect.D, 70, 2014
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4MB5
| Crystal structure of E153Q mutant of cold-adapted chitinase from Moritella complex with Nag5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Chitinase 60, DI(HYDROXYETHYL)ETHER, ... | Authors: | Malecki, P.H, Vorgias, C.E, Rypniewski, W. | Deposit date: | 2013-08-19 | Release date: | 2014-03-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.639 Å) | Cite: | Crystal structures of substrate-bound chitinase from the psychrophilic bacterium Moritella marina and its structure in solution Acta Crystallogr.,Sect.D, 70, 2014
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4MB3
| Crystal structure of E153Q mutant of cold-adapted chitinase from Moritella marina | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Chitinase 60, ... | Authors: | Malecki, P.H, Vorgias, C.E, Rypniewski, W. | Deposit date: | 2013-08-19 | Release date: | 2014-03-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structures of substrate-bound chitinase from the psychrophilic bacterium Moritella marina and its structure in solution Acta Crystallogr.,Sect.D, 70, 2014
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5EME
| Complex of RNA r(GCAGCAGC) with antisense PNA p(CTGCTGC) | Descriptor: | Antisense PNA strand, CHLORIDE ION, RNA (5'-R(*GP*CP*AP*GP*CP*AP*GP*C)-3') | Authors: | Kiliszek, A, Banaszak, K, Dauter, Z, Rypniewski, W. | Deposit date: | 2015-11-06 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | The first crystal structures of RNA-PNA duplexes and a PNA-PNA duplex containing mismatches-toward anti-sense therapy against TREDs. Nucleic Acids Res., 44, 2016
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5EMG
| Crystal structures of PNA p(GCTGCTGC)2 duplex containing T-T mismatches | Descriptor: | CHLORIDE ION, GPN-CPN-TPN-GPN-CPN-TPN-GPN-CPN, SODIUM ION | Authors: | Kiliszek, A, Banaszak, K, Dauter, Z, Rypniewski, W. | Deposit date: | 2015-11-06 | Release date: | 2016-01-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | The first crystal structures of RNA-PNA duplexes and a PNA-PNA duplex containing mismatches-toward anti-sense therapy against TREDs. Nucleic Acids Res., 44, 2016
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