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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4JWV
 | | Crystal Structure of putative short chain enoyl-CoA hydratase from Novosphingobium aromaticivorans DSM 12444 | | Descriptor: | Short chain enoyl-CoA hydratase | | Authors: | Cooper, D.R, Mikolajczak, K, Cymborowski, M, Grabowski, M, Ahmed, M, Stead, M, Hillerich, B, Seidel, R, Zimmerman, M, Bonanno, J.B, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-03-27 | | Release date: | 2013-05-29 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of putative short chain enoyl-CoA hydratase from Novosphingobium aromaticivorans DSM 12444
To be Published
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5EMF
 | | Crystal structure of RNA r(GCUGCUGC) with antisense PNA p(GCAGCAGC) | | Descriptor: | CHLORIDE ION, RNA (5'-R(*GP*CP*UP*GP*CP*UP*GP*C)-3'), antisense PNA p(GCAGCAGC) | | 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 (1.14 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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4JYL
 | | Crystal structure of enoyl-CoA hydratase from Thermoplasma volcanium GSS1 | | Descriptor: | CHLORIDE ION, Enoyl-CoA hydratase, SULFATE ION | | Authors: | Shabalin, I.G, Cooper, D.R, Majorek, K.A, Mikolajczak, K, Porebski, P.J, Stead, M, Hillerich, B.S, Ahmed, M, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-03-29 | | Release date: | 2013-04-17 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Crystal structure of enoyl-CoA hydratase from Thermoplasma volcanium GSS1
To be Published
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4ISW
 | | Crystal Structure of Phosphorylated C.elegans Thymidylate Synthase in Complex with dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | | Authors: | Wilk, P, Dowiercial, A, Banaszak, K, Jarmula, A, Rypniewski, W, Rode, W. | | Deposit date: | 2013-01-17 | | Release date: | 2013-12-11 | | Last modified: | 2014-01-15 | | Method: | X-RAY DIFFRACTION (3.14 Å) | | Cite: | Crystal structure of phosphoramide-phosphorylated thymidylate synthase reveals pSer127, reflecting probably pHis to pSer phosphotransfer.
Bioorg.Chem., 52C, 2013
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4L3K
 | | Crystal structure of Sporosarcina pasteurii UreE bound to Ni2+ and Zn2+ | | Descriptor: | NICKEL (II) ION, Urease accessory protein UreE, ZINC ION | | Authors: | Zambelli, B, Banaszak, K, Merloni, A, Kiliszek, A, Rypniewski, W.R, Ciurli, S. | | Deposit date: | 2013-06-06 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Selectivity of Ni(II) and Zn(II) binding to Sporosarcina pasteurii UreE, a metallochaperone in the urease assembly: a calorimetric and crystallographic study.
J.Biol.Inorg.Chem., 18, 2013
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4EP1
 | | Crystal structure of anabolic ornithine carbamoyltransferase from Bacillus anthracis | | Descriptor: | Ornithine carbamoyltransferase | | Authors: | Shabalin, I.G, Mikolajczak, K, Stam, J, Winsor, J, Shuvalova, L, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-04-16 | | Release date: | 2012-04-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Crystal structures of anabolic ornithine carbamoyltransferase from Bacillus anthracis
To be Published
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3A0F
 | | The crystal structure of Geotrichum sp. M128 xyloglucanase | | Descriptor: | Xyloglucanase | | Authors: | Yaoi, K, Kondo, H, Hiyoshi, A, Noro, N, Sugimoto, H, Tsuda, S, Miyazaki, K. | | Deposit date: | 2009-03-16 | | Release date: | 2009-09-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of a xyloglucan-specific endo-beta-1,4-glucanase from Geotrichum sp. M128 xyloglucanase reveals a key amino acid residue for substrate specificity
Febs J., 276, 2009
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3AYU
 | | Crystal structure of MMP-2 active site mutant in complex with APP-drived decapeptide inhibitor | | Descriptor: | 72 kDa type IV collagenase, Amyloid beta A4 protein, CALCIUM ION, ... | | Authors: | Hashimoto, H, Takeuchi, T, Komatsu, K, Miyazaki, K, Sato, M, Higashi, S. | | Deposit date: | 2011-05-17 | | Release date: | 2011-08-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for matrix metalloproteinase-2 (MMP-2)-selective inhibitory action of {beta}-amyloid precursor protein-derived inhibitor
J.Biol.Chem., 2011
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1UHT
 | | Solution Structure of The FHA Domain of Arabidopsis thaliana Hypothetical Protein | | Descriptor: | expressed protein | | Authors: | Tomizawa, T, Inoue, M, Koshiba, S, Hayashi, F, Shirouzu, M, Terada, T, Yabuki, T, Aoki, M, Matsuda, T, Seki, E, Hirota, H, Yoshida, M, Tanaka, A, Osanai, T, Shinozaki, K, Seki, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2003-07-10 | | Release date: | 2004-01-10 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of The FHA Domain of Arabidopsis thaliana Hypothetical Protein
To be Published
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2DGA
 | | Crystal structure of hexameric beta-glucosidase in wheat | | Descriptor: | Beta-glucosidase, GLYCEROL, SULFATE ION | | Authors: | Sue, M, Yamazaki, K, Miyamoto, T, Yajima, S. | | Deposit date: | 2006-03-10 | | Release date: | 2006-07-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular and Structural Characterization of Hexameric beta-D-Glucosidases in Wheat and Rye.
Plant Physiol., 141, 2006
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1J03
 | | Solution structure of a putative steroid-binding protein from Arabidopsis | | Descriptor: | putative steroid binding protein | | Authors: | Suzuki, S, Hatanaka, H, Kigawa, T, Terada, T, Shirouzu, M, Seki, M, Shinozaki, K, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2002-10-29 | | Release date: | 2003-12-16 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of an Arabidopsis homologue of the mammalian membrane-associated progesterone receptor
To be Published
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2ZWN
 | | Crystal structure of the novel two-domain type laccase from a metagenome | | Descriptor: | CHLORIDE ION, COPPER (II) ION, CU-O-CU LINKAGE, ... | | Authors: | Komori, H, Miyazaki, K, Higuchi, Y. | | Deposit date: | 2008-12-17 | | Release date: | 2009-04-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | X-ray structure of a two-domain type laccase: a missing link in the evolution of multi-copper proteins
Febs Lett., 583, 2009
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6R2N
 | | Crystal structure of KlGlk1 glucokinase from Kluyveromyces lactis | | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, Glucokinase-1 | | Authors: | Zak, K, Wator, E, Grudnik, P. | | Deposit date: | 2019-03-18 | | Release date: | 2019-10-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.596 Å) | | Cite: | Crystal Structure of Kluyveromyces lactis Glucokinase ( Kl Glk1).
Int J Mol Sci, 20, 2019
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8TG7
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8TG8
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8TGC
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8TFU
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7Z0J
 | | human PEX13 SH3 domain in complex with internal FxxxF motif | | Descriptor: | 1,2-ETHANEDIOL, Peroxisomal membrane protein PEX13 | | Authors: | Gaussmann, S, Zak, K, Kreisz, N, Sattler, M. | | Deposit date: | 2022-02-23 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Intramolecular autoinhibition of human PEX13 modulates peroxisomal import
Biorxiv, 2022
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7Z0I
 | | human PEX13 SH3 domain | | Descriptor: | 1,2-ETHANEDIOL, Peroxisomal membrane protein PEX13, ZINC ION | | Authors: | Gaussmann, S, Zak, K, Sattler, M. | | Deposit date: | 2022-02-23 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Intramolecular autoinhibition of human PEX13 modulates peroxisomal import
Biorxiv, 2022
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6R73
 | | Structure of IMP-13 metallo-beta-lactamase complexed with hydrolysed meropenem | | Descriptor: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Beta-lactamase, ZINC ION | | Authors: | Softley, C.A, Zak, K, Kolonko, M, Sattler, M, Popowicz, G. | | Deposit date: | 2019-03-28 | | Release date: | 2020-03-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and Molecular Recognition Mechanism of IMP-13 Metallo-beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2020
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6ZE8
 | | Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound OATD-01 | | Descriptor: | 5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-methylmorpholino)piperidin-1-yl)-4H-1,2,4-triazol-3-amine, Chitotriosidase-1, GLYCEROL, ... | | Authors: | Nowotny, M, Bartlomiejczak, A, Napiorkowska-Gromadzka, A. | | Deposit date: | 2020-06-16 | | Release date: | 2020-11-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of OATD-01 , a First-in-Class Chitinase Inhibitor as Potential New Therapeutics for Idiopathic Pulmonary Fibrosis.
J.Med.Chem., 63, 2020
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8R41
 | | Structure of CHI3L1 in complex with inhibitor 1 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ... | | Authors: | Nowak, E, Napiorkowska-Gromadzka, A, Nowotny, M. | | Deposit date: | 2023-11-10 | | Release date: | 2024-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure-Based Discovery of High-Affinity Small Molecule Ligands and Development of Tool Probes to Study the Role of Chitinase-3-Like Protein 1.
J.Med.Chem., 67, 2024
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8R4X
 | | Structure of Chitinase-3-like protein 1 in complex with inhibitor 30 | | Descriptor: | (2~{S},5~{S})-4-[1-(4-chloranylpyridin-2-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methyl-morpholine, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Nowak, E, Napiorkowska-Gromadzka, A, Nowotny, M. | | Deposit date: | 2023-11-14 | | Release date: | 2024-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structure-Based Discovery of High-Affinity Small Molecule Ligands and Development of Tool Probes to Study the Role of Chitinase-3-Like Protein 1.
J.Med.Chem., 67, 2024
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8R42
 | | Structure of CHI3L1 in complex with inhibititor 2 | | Descriptor: | 1,2-ETHANEDIOL, 2-[4-[(2~{R})-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]piperidin-1-yl]pyridine, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Nowak, E, Napiorkowska-Gromadzka, A, Nowotny, M. | | Deposit date: | 2023-11-10 | | Release date: | 2024-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Structure-Based Discovery of High-Affinity Small Molecule Ligands and Development of Tool Probes to Study the Role of Chitinase-3-Like Protein 1.
J.Med.Chem., 67, 2024
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