6X44
 
 | | High Resolution Crystal Structure Analysis of SERA5 proenzyme from plasmodium falciparum | | Descriptor: | DI(HYDROXYETHYL)ETHER, Serine repeat antigen 5 | | Authors: | Clarke, O.B, Smith, N.A, Lee, M, Smith, B.J. | | Deposit date: | 2020-05-22 | | Release date: | 2020-10-07 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.19733953 Å) | | Cite: | Structure of the Plasmodium falciparum PfSERA5 pseudo-zymogen.
Protein Sci., 29, 2020
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7NEF
 | | Fucosylated linear peptide Fln65 bound to the fucose binding lectin LecB PA-IIL from Pseudomonas aeruginosa at 1.5 Angstrom resolution | | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fln65, ... | | Authors: | Personne, H, Baeriswyl, S, Stocker, A, Reymond, J.-L. | | Deposit date: | 2021-02-03 | | Release date: | 2021-03-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | A mixed chirality alpha-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography.
Rsc Chem Biol, 2, 2021
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7NEW
 | | Fucosylated heterochiral linear peptide Fdln69 bound to the fucose binding lectin LecB PA-IIL from Pseudomonas aeruginosa at 2.0 Angstrom resolution | | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin, ... | | Authors: | Personne, H, Baeriswyl, S, Stocker, A, Reymond, J.-L. | | Deposit date: | 2021-02-05 | | Release date: | 2021-03-03 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | A mixed chirality alpha-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography.
Rsc Chem Biol, 2, 2021
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6BIZ
 | | HLA-DRB1 in complex with citrullinated Histone 2B peptide | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II DR-beta (HLA-DR B), ... | | Authors: | Ting, Y.T, Scally, S.W, Rossjohn, J. | | Deposit date: | 2017-11-03 | | Release date: | 2018-01-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The interplay between citrullination and HLA-DRB1 polymorphism in shaping peptide binding hierarchies in rheumatoid arthritis.
J. Biol. Chem., 293, 2018
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6HGK
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6Y14
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9FAB
 | | Additional cryo-EM structure of cardiac amyloid AL59 - bent polymorph | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Monoclonal immunoglobulin light chains (LC) | | Authors: | Schulte, T, Speranzini, V, Chaves-Sanjuan, A, Milazzo, M, Ricagno, S. | | Deposit date: | 2024-05-10 | | Release date: | 2024-08-14 | | Last modified: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Additional cryo-EM structure of cardiac amyloid AL59 - bent polymorph
To be published
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6BIL
 | | HLA-DRB1 in complex with citrullinated fibrinogen peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen beta 74cit69-81, HLA class II histocompatibility antigen, ... | | Authors: | Ting, Y.T, Scally, S.W, Rossjohn, J. | | Deposit date: | 2017-11-02 | | Release date: | 2018-01-17 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The interplay between citrullination and HLA-DRB1 polymorphism in shaping peptide binding hierarchies in rheumatoid arthritis.
J. Biol. Chem., 293, 2018
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6BIV
 | | HLA-DRB1 in complex with citrullinated LL37 peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ... | | Authors: | Ting, Y.T, Scally, S.W, Rossjohn, J. | | Deposit date: | 2017-11-03 | | Release date: | 2018-01-17 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The interplay between citrullination and HLA-DRB1 polymorphism in shaping peptide binding hierarchies in rheumatoid arthritis.
J. Biol. Chem., 293, 2018
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6BIX
 | | HLA-DRB1 in complex with citrullinated LL37 peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II DR-beta (HLA-DR B), HLA class II histocompatibility antigen, ... | | Authors: | Ting, Y.T, Scally, S.W, Rossjohn, J. | | Deposit date: | 2017-11-03 | | Release date: | 2018-01-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The interplay between citrullination and HLA-DRB1 polymorphism in shaping peptide binding hierarchies in rheumatoid arthritis.
J. Biol. Chem., 293, 2018
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6BIJ
 | | HLA-DRB1 in complex with citrullinated fibrinogen peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Citrullinated Fibrinogen 72,74Cit69-81, HLA class II histocompatibility antigen, ... | | Authors: | Ting, Y.T, Scally, S.W, Rossjohn, J. | | Deposit date: | 2017-11-02 | | Release date: | 2018-01-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The interplay between citrullination and HLA-DRB1 polymorphism in shaping peptide binding hierarchies in rheumatoid arthritis.
J. Biol. Chem., 293, 2018
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6BIY
 | | HLA-DRB1 in complex with Histone 2B peptide | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II DR-beta (HLA-DR B), ... | | Authors: | Ting, Y.T, Scally, S.W, Rossjohn, J. | | Deposit date: | 2017-11-03 | | Release date: | 2018-01-17 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.050049 Å) | | Cite: | The interplay between citrullination and HLA-DRB1 polymorphism in shaping peptide binding hierarchies in rheumatoid arthritis.
J. Biol. Chem., 293, 2018
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6BIR
 | | HLA-DRB1 in complex with citrullinated Vimentin peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ... | | Authors: | Ting, Y.T, Scally, S.W, Rossjohn, J. | | Deposit date: | 2017-11-02 | | Release date: | 2018-01-17 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The interplay between citrullination and HLA-DRB1 polymorphism in shaping peptide binding hierarchies in rheumatoid arthritis.
J. Biol. Chem., 293, 2018
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5D21
 | | Multivalency Effects in Glycopeptide Dendrimer Inhibitors of Pseudomonas aeruginosa Biofilms Targeting Lectin LecA | | Descriptor: | CALCIUM ION, LecA, phenyl beta-D-galactopyranoside | | Authors: | Bergmann, M, Michaud, G, Visini, R, Jin, X, Stocker, A, Darbre, T, Reymond, J.-L. | | Deposit date: | 2015-08-05 | | Release date: | 2015-11-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Multivalency effects on Pseudomonas aeruginosa biofilm inhibition and dispersal by glycopeptide dendrimers targeting lectin LecA.
Org.Biomol.Chem., 14, 2016
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6ZIC
 | | CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE-1 (RPMFE1) COMPLEXED WITH 3S-HYDROXYBUTANOYL-COA AND NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-HYDROXYBUTANOYL-COENZYME A, GLYCEROL, ... | | Authors: | Wierenga, R.K, Sridhar, S, Kiema, T.R. | | Deposit date: | 2020-06-25 | | Release date: | 2021-07-07 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural enzymology studies with the substrate 3S-hydroxybutanoyl-CoA: bifunctional MFE1 is a less efficient dehydrogenase than monofunctional HAD.
Febs Open Bio, 14, 2024
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6ZIB
 | | CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE-1 (RPMFE1) COMPLEXED WITH ACETOACETYL-COA AND NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ACETOACETYL-COENZYME A, Peroxisomal bifunctional enzyme, ... | | Authors: | Wierenga, R.K, Sridhar, S, Kiema, T.R. | | Deposit date: | 2020-06-25 | | Release date: | 2021-07-07 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural enzymology studies with the substrate 3S-hydroxybutanoyl-CoA: bifunctional MFE1 is a less efficient dehydrogenase than monofunctional HAD.
Febs Open Bio, 14, 2024
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8BXU
 | | Crystal structure of Odorant Binding Protein 5 from Anopheles gambiae (AgamOBP5) with MPD (2-Methyl-2,4-pentanediol) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-ETHOXYETHANOL, Odorant binding protein, ... | | Authors: | Liggri, P.G.V, Tsitsanou, K.E, Zographos, S.E. | | Deposit date: | 2022-12-09 | | Release date: | 2023-03-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The structure of AgamOBP5 in complex with the natural insect repellents Carvacrol and Thymol: Crystallographic, fluorescence and thermodynamic binding studies.
Int.J.Biol.Macromol., 237, 2023
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8C9Z
 | | The RSL - sulfonato-calix[8]arene complex, H32 form, citrate pH 6.0 | | Descriptor: | Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ... | | Authors: | Mockler, N.M, Ramberg, K, Crowley, P.B. | | Deposit date: | 2023-01-23 | | Release date: | 2023-07-12 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Protein-macrocycle polymorphism: crystal form IV of the Ralstonia solanacearum lectin-sulfonato-calix[8]arene complex.
Acta Crystallogr D Struct Biol, 79, 2023
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8C9Y
 | | The MK-RSL - sulfonato-calix[8]arene complex, H32 form | | Descriptor: | GLYCEROL, Putative fucose-binding lectin protein, beta-D-fructopyranose, ... | | Authors: | Mockler, N.M, Ramberg, K, Crowley, P.B. | | Deposit date: | 2023-01-23 | | Release date: | 2023-07-12 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Protein-macrocycle polymorphism: crystal form IV of the Ralstonia solanacearum lectin-sulfonato-calix[8]arene complex.
Acta Crystallogr D Struct Biol, 79, 2023
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6HT2
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5I6A
 | | bicyclo[3.3.2]decapeptide | | Descriptor: | ALA-PHE-GLY-LYD-VAL-PHE-PRO-GLN-ALA-GLY, DIMETHYL SULFOXIDE | | Authors: | Bartoloni, M, Waltersperger, S, Bumann, M, Stocker, A, Darbre, T, Reymond, J.-L. | | Deposit date: | 2016-02-16 | | Release date: | 2016-03-09 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (0.813 Å) | | Cite: | Stereoselective synthesis and structure determination of a bicyclo[3.3.2]decapeptide
Arkivoc, 2014, 2014
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5I8M
 | | Bicyclic antimibrocial peptides | | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, DLS-LYS-CYS-LYS-LEU-CYS-LEU-LYS-NH2, ... | | Authors: | Di Bonaventura, I, Jin, X, Visini, R, Michaud, G, Robadey, M, Koehler, T, van Delden, C, Stocker, A, Darbre, T, Reymond, J.-L. | | Deposit date: | 2016-02-19 | | Release date: | 2017-08-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Chemical space guided discovery of antimicrobial bridged bicyclic peptides against Pseudomonas aeruginosa and its biofilms.
Chem Sci, 8, 2017
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7B7V
 | | Structure of NUDT15 in complex with Acyclovir monophosphate | | Descriptor: | 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl dihydrogen phosphate, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Rehling, D, Stenmark, P. | | Deposit date: | 2020-12-11 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | NUDT15 polymorphism influences the metabolism and therapeutic effects of acyclovir and ganciclovir.
Nat Commun, 12, 2021
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1BCS
 | | COMPLEX OF THE WHEAT SERINE CARBOXYPEPTIDASE, CPDW-II, WITH THE MICROBIAL PEPTIDE ALDEHYDE INHIBITOR, CHYMOSTATIN, AND ARGININE AT 100 DEGREES KELVIN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Bullock, T.L, Remington, S.J. | | Deposit date: | 1995-11-03 | | Release date: | 1996-03-08 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Peptide aldehyde complexes with wheat serine carboxypeptidase II: implications for the catalytic mechanism and substrate specificity.
J.Mol.Biol., 255, 1996
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6HU5
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