4YE4
 
 | | Crystal Structure of Neutralizing Antibody HJ16 in Complex with HIV-1 gp120 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HT593.1 gp120, Heavy chain human antibody HJ16, ... | | Authors: | Kwong, P.D, Chen, L, Zhou, T. | | Deposit date: | 2015-02-23 | | Release date: | 2015-07-22 | | Last modified: | 2022-03-30 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors.
Cell, 161, 2015
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7MFH
 | | Crystal structure of BIO-32546 bound mouse Autotaxin | | Descriptor: | (1R,3S,5S)-8-{(1S)-1-[8-(trifluoromethyl)-7-{[(1s,4R)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chodaparambil, J.V. | | Deposit date: | 2021-04-09 | | Release date: | 2022-04-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of Potent Selective Nonzinc Binding Autotaxin Inhibitor BIO-32546.
Acs Med.Chem.Lett., 12, 2021
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8VFK
 | | Crystal Structure of Delta 109-117 D-Dopachrome Tautomerase (D-DT) | | Descriptor: | CITRATE ANION, D-dopachrome decarboxylase, SODIUM ION | | Authors: | Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. | | Deposit date: | 2023-12-21 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
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7RKL
 | | Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with II399 (P1 space group) | | Descriptor: | 3-[3-(acetyl{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)prop-1-yn-1-yl]benzamide, NNMT protein, SULFATE ION | | Authors: | Yadav, R, Noinaj, N, Iyamu, I.D, Huang, R. | | Deposit date: | 2021-07-22 | | Release date: | 2022-07-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Exploring Unconventional SAM Analogues To Build Cell-Potent Bisubstrate Inhibitors for Nicotinamide N-Methyltransferase.
Angew.Chem.Int.Ed.Engl., 61, 2022
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8VFI
 | | Ternary DNA Polymerase Beta bound to DNA containing primer terminal FapydG base-paired with a dA | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | Authors: | Oden, P.N, Ryan, B.J, Freudenthal, B.D. | | Deposit date: | 2023-12-21 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
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8OYR
 | | DNA Major Groove Binding by lambda-[Ru(phen)2(phi)]2+ | | Descriptor: | DNA (5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3'), STRONTIUM ION, ruthenium polypyridyl complex (lambda enantiomer) | | Authors: | Prieto-Otoya, T.D, Cardin, C.J, McQuaid, K.T, Paterson, N.G. | | Deposit date: | 2023-05-05 | | Release date: | 2024-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Probing a Major DNA Weakness: Resolving the Groove and Sequence Selectivity of the Diimine Complex Lambda-[Ru(phen) 2 phi] 2.
Angew.Chem.Int.Ed.Engl., 63, 2024
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4RGA
 | | Phage 1358 receptor binding protein in complex with the trisaccharide GlcNAc-Galf-GlcOMe | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-galactofuranose-(1-6)-methyl alpha-D-glucopyranoside, Phage 1358 receptor binding protein (ORF20) | | Authors: | Spinelli, S, Mccabe, O, Farenc, C, Tremblay, D, Blangy, S, Oscarson, S, Moineau, S, Cambillau, C. | | Deposit date: | 2014-09-29 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The targeted recognition of Lactococcus lactis phages to their polysaccharide receptors.
Mol.Microbiol., 96, 2015
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8VFF
 | | Binary DNA Polymerase Beta bound to DNA containing primer terminal FapydG base-paired with a dA | | Descriptor: | DNA (5'-D(*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(FAP))-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | | Authors: | Oden, P.N, Ryan, B.J, Freudenthal, B.D. | | Deposit date: | 2023-12-21 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
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4YDI
 | | Crystal structure of broad and potently neutralizing VRC01-class antibody Z258-VRC27.01, isolated from human donor Z258, in complex with HIV-1 gp120 from clade A strain Q23.17 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ... | | Authors: | Zhou, T, Srivatsan, S, Kwong, P.D. | | Deposit date: | 2015-02-22 | | Release date: | 2015-06-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.452 Å) | | Cite: | Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors.
Cell, 161, 2015
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8VFW
 | | Crystal Structure of V113N D-Dopachrome Tautomerase (D-DT) | | Descriptor: | CITRIC ACID, D-dopachrome decarboxylase | | Authors: | Parkins, A, Wolff, A, Thompson, M.C, Pantouris, G. | | Deposit date: | 2023-12-22 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
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8VG5
 | | Crystal Structure of V113N Variant of D-Dopachrome Tautomerase (D-DT) Bound with 4CPPC | | Descriptor: | 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid, CITRIC ACID, D-dopachrome decarboxylase | | Authors: | Parkins, A, Pilien, A, Thompson, M.C, Pantouris, G. | | Deposit date: | 2023-12-22 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
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8DHD
 | | Neutron crystal structure of maltotetraose bound tmMBP | | Descriptor: | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose-binding protein MalE2 | | Authors: | Cuneo, M.J, Shukla, S, Myles, D.A. | | Deposit date: | 2022-06-27 | | Release date: | 2022-10-12 | | Last modified: | 2023-10-25 | | Method: | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | | Cite: | Mapping periplasmic binding protein oligosaccharide recognition with neutron crystallography.
Sci Rep, 12, 2022
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4Y4K
 | | Crystal structure of the mCD1d/EF77/iNKTCR ternary complex | | Descriptor: | (4Z)-9-[(1R,2R)-2-decylcyclopropyl]-N-[(2S,3S,4S)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]non-4-enamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zajonc, D.M, Birkholz, A.M. | | Deposit date: | 2015-02-10 | | Release date: | 2015-05-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural modifications of alphaGalCer in both lipid and carbohydrate moiety influence activation of murine and human iNKT cells
To Be Published
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4WRN
 | | Crystal structure of the polymerization region of human uromodulin/Tamm-Horsfall protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltose-binding periplasmic protein,Uromodulin, ZINC ION, ... | | Authors: | Bokhove, M, De Sanctis, D, Jovine, L. | | Deposit date: | 2014-10-24 | | Release date: | 2016-01-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | A structured interdomain linker directs self-polymerization of human uromodulin.
Proc.Natl.Acad.Sci.USA, 113, 2016
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6I5R
 | | BlMnBP1 binding protein of an ABC transporter from Bifidobacterium animalis subsp. lactis ATCC27673 in complex with mannobiose | | Descriptor: | Sugar ABC transporter substrate-binding protein, BlMnBP1, ZINC ION, ... | | Authors: | Abou Hachem, M, Ejby, M, Guskov, A, Slotboom, D.J. | | Deposit date: | 2018-11-14 | | Release date: | 2019-04-17 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Two binding proteins of the ABC transporter that confers growth of Bifidobacterium animalis subsp. lactis ATCC27673 on beta-mannan possess distinct manno-oligosaccharide-binding profiles.
Mol.Microbiol., 112, 2019
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4X4S
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6F9L
 | | Crystal structure of Barley Beta-Amylase complexed with 3-Deoxy-3-fluoro-maltose | | Descriptor: | Beta-amylase, CHLORIDE ION, alpha-D-glucopyranose-(1-4)-3-deoxy-3-fluoro-alpha-D-glucopyranose | | Authors: | Tantanarat, K, Stevenson, C.E.M, Rejzek, M, Lawson, D.M, Field, R.A. | | Deposit date: | 2017-12-14 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Crystal structure of Barley Beta-Amylase complexed with 3-Deoxy-3-fluoro-maltose
To be published
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5N7N
 | | CRYSTAL STRUCTURE OF CATHEPSIN D ZYMOGEN FROM THE TICK IXODES RICINUS (IRCD1) | | Descriptor: | AMMONIUM ION, Putative cathepsin d, SULFATE ION | | Authors: | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | | Deposit date: | 2017-02-21 | | Release date: | 2017-12-27 | | Last modified: | 2018-03-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite.
Cell Chem Biol, 25, 2018
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6TJK
 | | Crystal Structure of Recombinant GBA in Complex with Bis-Tris Propane. | | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rowland, R.J, Davies, G.J. | | Deposit date: | 2019-11-26 | | Release date: | 2020-06-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis.
Acta Crystallogr D Struct Biol, 76, 2020
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8EU8
 | | Cryo-EM structure of CH848 10.17DT DS-SOSIP-2P Env | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CH848 10.17DT SOSIP Envelope glycoprotein gp160 | | Authors: | Wrapp, D, Acharya, P, Haynes, B.F. | | Deposit date: | 2022-10-18 | | Release date: | 2023-01-04 | | Last modified: | 2023-02-08 | | Method: | ELECTRON MICROSCOPY (3.73 Å) | | Cite: | Structure-Based Stabilization of SOSIP Env Enhances Recombinant Ectodomain Durability and Yield.
J.Virol., 97, 2023
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6FWL
 | | Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex alpha-Glc-1,3-(1,2-anhydro-carba-mannose) | | Descriptor: | (1~{S},2~{S},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ... | | Authors: | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | Deposit date: | 2018-03-06 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
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5ELC
 | | Cholera toxin El Tor B-pentamer in complex with Lewis-y | | Descriptor: | BICINE, CALCIUM ION, Cholera enterotoxin subunit B, ... | | Authors: | Heggelund, J.E, Burschowsky, D, Krengel, U. | | Deposit date: | 2015-11-04 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | High-Resolution Crystal Structures Elucidate the Molecular Basis of Cholera Blood Group Dependence.
Plos Pathog., 12, 2016
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8PPV
 | | Intermediate conformer of Pyrococcus abyssi DNA polymerase D (PolD) bound to a primer/template substrate containing three consecutive mismatches | | Descriptor: | DNA (5'-D(*P*CP*CP*GP*GP*GP*CP*CP*GP*AP*GP*CP*CP*GP*TP*(GS)P*(G7P)P*(PST)P*(PST)P*(PST))-3'), DNA (5'-D(P*AP*GP*CP*AP*CP*GP*GP*CP*TP*CP*GP*GP*CP*CP*CP*GP*G)-3'), DNA polymerase II small subunit, ... | | Authors: | Betancurt-Anzola, L, Martinez-Carranza, M, Zatopek, K.M, Gardner, A.F, Sauguet, L. | | Deposit date: | 2023-07-10 | | Release date: | 2023-12-20 | | Last modified: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | Molecular basis for proofreading by the unique exonuclease domain of Family-D DNA polymerases.
Nat Commun, 14, 2023
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8PPT
 | | Pyrococcus abyssi DNA polymerase D (PolD) in its editing mode bound to a primer/template substrate containing a mismatch | | Descriptor: | DNA (5'-D(P*AP*GP*CP*AP*CP*GP*GP*CP*TP*CP*GP*GP*CP*CP*CP*GP*G)-3'), DNA (5'-D(P*CP*CP*GP*GP*GP*CP*CP*GP*AP*GP*CP*CP*GP*TP*GP*CP*TP*TP*T)-3'), DNA polymerase II small subunit, ... | | Authors: | Betancurt-Anzola, L, Martinez-Carranza, M, Zatopek, K.M, Gardner, A.F, Sauguet, L. | | Deposit date: | 2023-07-10 | | Release date: | 2023-12-20 | | Last modified: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Molecular basis for proofreading by the unique exonuclease domain of Family-D DNA polymerases.
Nat Commun, 14, 2023
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8PPU
 | | Pyrococcus abyssi DNA polymerase D (PolD) in its editing mode bound to a primer/template substrate containing three consecutive mismatches | | Descriptor: | DNA (5'-D(P*AP*GP*CP*AP*CP*GP*GP*CP*TP*CP*GP*GP*CP*CP*CP*GP*G)-3'), DNA (5'-D(P*CP*CP*GP*GP*GP*CP*CP*GP*AP*GP*CP*CP*GP*TP*(GS)P*(C7R)P*(PST)P*(PST)P*(PST))-3'), DNA polymerase II small subunit, ... | | Authors: | Betancurt-Anzola, L, Martinez-Carranza, M, Zatopek, K.M, Gardner, A.F, Sauguet, L. | | Deposit date: | 2023-07-10 | | Release date: | 2023-12-20 | | Last modified: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | Molecular basis for proofreading by the unique exonuclease domain of Family-D DNA polymerases.
Nat Commun, 14, 2023
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