7THH
 
 | | SUD-C and Ubl2 domains of SARS CoV-2 Nsp3 protein | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, HEXAETHYLENE GLYCOL, ... | | Authors: | Osipiuk, J, Jedrzejczak, R, Endres, M, Wydorski, P, Joachimiak, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-01-11 | | Release date: | 2022-01-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | SUD-C and Ubl2 domains of SARS CoV-2 Nsp3 protein
to be published
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7QUB
 | | EV-A71-3Cpro in complex with inhibitor MG78 | | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, Protease 3C, SODIUM ION | | Authors: | El Kilani, H, Hilgenfeld, R. | | Deposit date: | 2022-01-17 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease.
Molecules, 27, 2022
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8DDD
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6PCP
 | | Mechanism for regulation of DNA binding of Bordetella bronchiseptica BpsR by 6-hydroxynicotinic acid | | Descriptor: | 6-hydroxypyridine-3-carboxylic acid, MarR family transcriptional regulator | | Authors: | Booth, W.T, Davis, R.R, Deora, R, Hollis, T. | | Deposit date: | 2019-06-17 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural mechanism for regulation of DNA binding of BpsR, a Bordetella regulator of biofilm formation, by 6-hydroxynicotinic acid.
Plos One, 14, 2019
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8DFY
 | | Crystal structure of Human BTN2A1 Ectodomain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Butyrophilin subfamily 2 member A1, ... | | Authors: | Fulford, T.S, Soliman, C, Castle, R.G, Rigau, M, Ruan, Z, Dolezal, O, Seneviratna, R, Brown, H.G, Hanssen, E, Hammet, A, Li, S, Redmond, S.J, Chung, A, Gorman, M.A, Parker, M.W, Patel, O, Peat, T.S, Newman, J, Behren, A, Gherardin, N.A, Godfrey, D.I, Uldrich, A.P. | | Deposit date: | 2022-06-22 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.552 Å) | | Cite: | Vgamma9-Vdelta2 T cells recognize butyrophilin 2A1 and 3A1 heteromers
To Be Published
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7QL8
 | | SARS-COV2 Main Protease in complex with inhibitor MG78 | | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION, ... | | Authors: | El Kilani, H, Hilgenfeld, R. | | Deposit date: | 2021-12-19 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.807 Å) | | Cite: | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease.
Molecules, 27, 2022
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1A67
 | | CHICKEN EGG WHITE CYSTATIN WILDTYPE, NMR, 16 STRUCTURES | | Descriptor: | CYSTATIN | | Authors: | Dieckmann, T, Mitschang, L, Hofmann, M, Kos, J, Turk, V, Auerswald, E.A, Jaenicke, R, Oschkinat, H. | | Deposit date: | 1998-03-06 | | Release date: | 1998-05-27 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | The structures of native phosphorylated chicken cystatin and of a recombinant unphosphorylated variant in solution.
J.Mol.Biol., 234, 1993
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8DEI
 | | Structure of the Cac1 KER domain | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Maltodextrin-binding protein,Chromatin assembly factor 1 subunit p90 fusion, ... | | Authors: | Rosas, R, Churchill, M.E.A. | | Deposit date: | 2022-06-20 | | Release date: | 2023-07-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | A novel single alpha-helix DNA-binding domain in CAF-1 promotes gene silencing and DNA damage survival through tetrasome-length DNA selectivity and spacer function.
Elife, 12, 2023
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7QS4
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7QC2
 | | Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline-tRNA ligase) from Plasmodium falciparum in complex with MAT334 and L-Proline | | Descriptor: | 1,2-ETHANEDIOL, PROLINE, Proline--tRNA ligase, ... | | Authors: | Johansson, C, Tye, M, Payne, N.C, Mazitschek, R, Oppermann, U.C.T. | | Deposit date: | 2021-11-22 | | Release date: | 2022-05-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline-tRNA ligase) from Plasmodium falciparum in complex with MAT334 and L-Proline
To Be Published
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7THI
 | | Human Bisphosphoglycerate Mutase complexed with 2-phosphoglycolate | | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, Bisphosphoglycerate mutase | | Authors: | Clark, K.L, Kulathila, R, Wright, K, Isome, Y, Sage, D, Yang, Y, Christodoulou, C. | | Deposit date: | 2022-01-11 | | Release date: | 2022-01-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Human Bisphosphoglycerate Mutase complexed with 2-phosphoglycolate
To Be Published
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3WNK
 | | Crystal Structure of Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase | | Descriptor: | ACETATE ION, CADMIUM ION, CALCIUM ION, ... | | Authors: | Suzuki, N, Fujimoto, Z, Kim, Y.M, Momma, M, Kishine, N, Suzuki, R, Kobayashi, M, Kimura, A, Funane, K. | | Deposit date: | 2013-12-10 | | Release date: | 2014-02-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural elucidation of the cyclization mechanism of alpha-1,6-glucan by Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase.
J.Biol.Chem., 289, 2014
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7QRZ
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7QS2
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8SPU
 | | Structure of ESRRB nucleosome bound OCT4 at site c | | Descriptor: | DNA (168-MER), Histone H2A type 2-C, Histone H2B type 2-E, ... | | Authors: | Lian, T, Guan, R, Bai, Y. | | Deposit date: | 2023-05-03 | | Release date: | 2023-06-28 | | Last modified: | 2024-02-07 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural mechanism of LIN28B nucleosome targeting by OCT4.
Mol.Cell, 83, 2023
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8DFX
 | | Crystal structure of Human BTN2A1-BTN3A1 Ectodomain Complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Butyrophilin subfamily 2 member A1, Butyrophilin subfamily 3 member A1 | | Authors: | Fulford, T.S, Soliman, C, Castle, R.G, Rigau, M, Ruan, Z, Dolezal, O, Seneviratna, R, Brown, H.G, Hanssen, E, Hammet, A, Li, S, Redmond, S.J, Chung, A, Gorman, M.A, Parker, M.W, Patel, O, Peat, T.S, Newman, J, Behren, A, Gherardin, N.A, Godfrey, D.I, Uldrich, A.P. | | Deposit date: | 2022-06-22 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (5.55 Å) | | Cite: | Vgamma9-Vdelta2 T cells recognize butyrophilin 2A1 and 3A1 heteromers
To Be Published
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7QS5
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8SPS
 | | High resolution structure of ESRRB nucleosome bound OCT4 at site a and site b | | Descriptor: | DNA (168-MER), Histone H2A type 2-C, Histone H2B type 2-E, ... | | Authors: | Lian, T, Guan, R, Bai, Y. | | Deposit date: | 2023-05-03 | | Release date: | 2023-06-28 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural mechanism of LIN28B nucleosome targeting by OCT4.
Mol.Cell, 83, 2023
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7QS3
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1FH7
 | | CRYSTAL STRUCTURE OF THE XYLANASE CEX WITH XYLOBIOSE-DERIVED INHIBITOR DEOXYNOJIRIMYCIN | | Descriptor: | BETA-1,4-XYLANASE, PIPERIDINE-3,4,5-TRIOL, beta-D-xylopyranose | | Authors: | Notenboom, V, Williams, S.J, Hoos, R, Withers, S.G, Rose, D.R. | | Deposit date: | 2000-07-31 | | Release date: | 2000-08-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Detailed structural analysis of glycosidase/inhibitor interactions: complexes of Cex from Cellulomonas fimi with xylobiose-derived aza-sugars.
Biochemistry, 39, 2000
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4Y72
 | | Human CDK1/CyclinB1/CKS2 With Inhibitor | | Descriptor: | Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ... | | Authors: | Brown, N.R, Korolchuk, S, Martin, M.P, Stanley, W, Moukhametzianov, R, Noble, M.E.M, Endicott, J.A. | | Deposit date: | 2015-02-13 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | CDK1 structures reveal conserved and unique features of the essential cell cycle CDK.
Nat Commun, 6, 2015
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8DDC
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8DFW
 | | Crystal Structure of Human BTN2A1 in Complex With Vgamma9-Vdelta2 T Cell Receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Butyrophilin subfamily 2 member A1, ... | | Authors: | Fulford, T.S, Soliman, C, Castle, R.G, Rigau, M, Ruan, Z, Dolezal, O, Seneviratna, R, Brown, H.G, Hanssen, E, Hammet, A, Li, S, Redmond, S.J, Chung, A, Gorman, M.A, Parker, M.W, Patel, O, Peat, T.S, Newman, J, Behren, A, Gherardin, N.A, Godfrey, D.I, Uldrich, A.P. | | Deposit date: | 2022-06-22 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Vgamma9-Vdelta2 T cells recognize butyrophilin 2A1 and 3A1 heteromers
To Be Published
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7QRV
 | | Crystal structure of NHL domain of TRIM2 (full C-terminal) | | Descriptor: | 1,2-ETHANEDIOL, Tripartite motif-containing protein 2 | | Authors: | Chaikuad, A, Zhubi, R, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-01-12 | | Release date: | 2022-05-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Comparative structural analyses of the NHL domains from the human E3 ligase TRIM-NHL family.
Iucrj, 9, 2022
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6P5K
 | | Structure of a mammalian 80S ribosome in complex with the Israeli Acute Paralysis Virus IRES (Class 3) | | Descriptor: | 18S rRNA, 28S rRNA, 5.8S rRNA, ... | | Authors: | Acosta-Reyes, F.J, Neupane, R, Frank, J, Fernandez, I.S. | | Deposit date: | 2019-05-30 | | Release date: | 2019-09-18 | | Last modified: | 2020-01-08 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | The Israeli acute paralysis virus IRES captures host ribosomes by mimicking a ribosomal state with hybrid tRNAs.
Embo J., 38, 2019
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