8CMD
 
 | | Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Spike peptide S761-775 | | Descriptor: | 1,2-ETHANEDIOL, HLA class II histocompatibility antigen, DR alpha chain, ... | | Authors: | MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J. | | Deposit date: | 2023-02-19 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
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5JUS
 | | Saccharomyces cerevisiae 80S ribosome bound with elongation factor eEF2-GDP-sordarin and Taura Syndrome Virus IRES, Structure III (mid-rotated 40S subunit) | | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 5.8S ribosomal RNA, ... | | Authors: | Abeyrathne, P, Koh, C.S, Grant, T, Grigorieff, N, Korostelev, A.A. | | Deposit date: | 2016-05-10 | | Release date: | 2016-10-05 | | Last modified: | 2023-04-05 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Ensemble cryo-EM uncovers inchworm-like translocation of a viral IRES through the ribosome.
Elife, 5, 2016
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8CME
 | | Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Membrane peptide M176-190 | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HLA class II histocompatibility antigen, ... | | Authors: | MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J. | | Deposit date: | 2023-02-19 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
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8CMH
 | | Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Omicron (BA.1) Spike peptide S486-505 | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, HLA class II histocompatibility antigen, ... | | Authors: | MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J. | | Deposit date: | 2023-02-19 | | Release date: | 2023-07-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
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8CMB
 | | Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Spike peptide S486-505 | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, HLA class II histocompatibility antigen, ... | | Authors: | MacLachlan, B.J, Mason, G.H, Godkin, A.J, Rizkallah, P.J. | | Deposit date: | 2023-02-19 | | Release date: | 2023-07-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
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6PNY
 | | X-ray Structure of Flpp3 | | Descriptor: | Flpp3 | | Authors: | Zook, J.D, Shekhar, M, Hansen, D.T, Conrad, C, Grant, T.D, Gupta, C, White, T, Barty, A, Basu, S, Zhao, Y, Zatsepin, N.A, Ishchenko, A, Batyuk, A, Gati, C, Li, C, Galli, L, Coe, J, Hunter, M, Liang, M, Weierstall, U, Nelson, G, James, D, Stauch, B, Craciunescu, F, Thifault, D, Liu, W, Cherezov, V, Singharoy, A, Fromme, P. | | Deposit date: | 2019-07-03 | | Release date: | 2020-02-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | XFEL and NMR Structures of Francisella Lipoprotein Reveal Conformational Space of Drug Target against Tularemia.
Structure, 28, 2020
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8EPU
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6N5C
 | | Crystal structure of the catalytic domain of PPIP5K2 in complex with AMPPNP and 5-PCF2Am-InsP5 | | Descriptor: | (1,1-difluoro-2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Wang, H, Shears, S.B, Riley, A, Potter, B. | | Deposit date: | 2018-11-21 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Synthesis of an alpha-phosphono-alpha , alpha-difluoroacetamide analogue of the diphosphoinositol pentakisphosphate 5-InsP7.
Medchemcomm, 10, 2019
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7PJO
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8F8W
 | | Crystal structure of Nb.X0 bound to the afucosylated human IgG1 fragment crystal form I | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nb.X0, afucosylated IgG1 fragment | | Authors: | Goldgur, Y, Ravetch, J, Gupta, A, Kao, K, Oren, D. | | Deposit date: | 2022-11-22 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Mechanism of glycoform specificity and in vivo protection by an anti-afucosylated IgG nanobody.
Nat Commun, 14, 2023
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6Y1L
 | | Crystal structure of the paraoxon-modified A.17 antibody FAB fragment - L47R mutant | | Descriptor: | DIETHYL PHOSPHONATE, FAB A.17 L47R mutant HEAVY CHAIN, FAB A.17 L47R mutant Light CHAIN, ... | | Authors: | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | | Deposit date: | 2020-02-12 | | Release date: | 2020-09-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6P4X
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6MGK
 | | Crystal structure of the catalytic domain from GH74 enzyme PoGH74 from Paenibacillus odorifer, in complex with XLX xyloglucan | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Stogios, P.J, Skarina, T, Nocek, B, Arnal, G, Brumer, H, Savchenko, A. | | Deposit date: | 2018-09-14 | | Release date: | 2019-01-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural enzymology reveals the molecular basis of substrate regiospecificity and processivity of an exemplar bacterial glycoside hydrolase family 74endo-xyloglucanase.
Biochem. J., 475, 2018
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6YBK
 | | Structure of MBP-Mcl-1 in complex with compound 4d | | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoic acid, CHLORIDE ION, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, ... | | Authors: | Dokurno, P, Surgenor, A.E, Murray, J.B. | | Deposit date: | 2020-03-17 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor.
J.Med.Chem., 63, 2020
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5JUU
 | | Saccharomyces cerevisiae 80S ribosome bound with elongation factor eEF2-GDP-sordarin and Taura Syndrome Virus IRES, Structure V (least rotated 40S subunit) | | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 5.8S ribosomal RNA, ... | | Authors: | Abeyrathne, P, Koh, C.S, Grant, T, Grigorieff, N, Korostelev, A.A. | | Deposit date: | 2016-05-10 | | Release date: | 2016-10-05 | | Last modified: | 2019-11-27 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Ensemble cryo-EM uncovers inchworm-like translocation of a viral IRES through the ribosome.
Elife, 5, 2016
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7PQ4
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6PJK
 | | HIV-1 Protease NL4-3 WT in Complex with LR3-29 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-isoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION | | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2019-06-28 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
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6Y49
 | | Crystal structure of the paraoxon-modified A.17kappa antibody FAB fragment | | Descriptor: | A.17kappa antibody FAB fragment - Heavy Chain, A.17kappa antibody FAB fragment - Light Chain, DIETHYL PHOSPHONATE | | Authors: | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | | Deposit date: | 2020-02-19 | | Release date: | 2020-09-16 | | Last modified: | 2020-09-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6PKG
 | | Zebrafish N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase (NAGPA) catalytic domain auto-inhibited by pro-peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HEXAETHYLENE GLYCOL, IODIDE ION, ... | | Authors: | Gorelik, A, Illes, K, Nagar, B. | | Deposit date: | 2019-06-29 | | Release date: | 2020-02-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of the Mannose-6-Phosphate Uncovering Enzyme.
Structure, 28, 2020
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7Q1X
 | | Acetyltrasferase(3) type IIIa in complex with neomycin B | | Descriptor: | Aminoglycoside N(3)-acetyltransferase III, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Pontillo, N, Guskov, A. | | Deposit date: | 2021-10-21 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The 3-N-alkylation of the neomycin B outmaneuvers the aminoglycoside resistant enzyme acetyltransferase(3)IIIa via an unexpected mechanism
To Be Published
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6PCZ
 | | Crystal structure of the bacterial cellulose synthase subunit G (BcsG) catalytic domain from Escherichia coli, selenomethionine variant | | Descriptor: | Cellulose biosynthesis protein BcsG, MAGNESIUM ION, ZINC ION | | Authors: | Anderson, A.C, Brenner, T, Weadge, J.T. | | Deposit date: | 2019-06-18 | | Release date: | 2020-03-18 | | Last modified: | 2020-05-13 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | TheEscherichia colicellulose synthase subunit G (BcsG) is a Zn2+-dependent phosphoethanolamine transferase.
J.Biol.Chem., 295, 2020
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8C46
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8ELF
 | | Structure of Get3d, a homolog of Get3, from Arabidopsis thaliana | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Manu, M.S, Barlow, A.N, Clemons Jr, W.M, Ramasamy, S. | | Deposit date: | 2022-09-23 | | Release date: | 2023-05-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of Get3d reveal a distinct architecture associated with the emergence of photosynthesis.
J.Biol.Chem., 299, 2023
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7PJH
 | | Crystal structure of the human spliceosomal maturation factor AAR2 bound to the RNAse H domain of PRPF8 | | Descriptor: | Pre-mRNA-processing-splicing factor 8, Protein AAR2 homolog | | Authors: | Preussner, M, Santos, K, Heroven, A.C, Alles, J, Heyd, F, Wahl, M.C, Weber, G. | | Deposit date: | 2021-08-24 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural and functional investigation of the human snRNP assembly factor AAR2 in complex with the RNase H-like domain of PRPF8.
Acta Crystallogr D Struct Biol, 78, 2022
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7PTJ
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