1BHG
 
 | | HUMAN BETA-GLUCURONIDASE AT 2.6 A RESOLUTION | | Descriptor: | BETA-GLUCURONIDASE, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Jain, S, Drendel, W.B. | | Deposit date: | 1996-03-04 | | Release date: | 1997-09-17 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structure of human beta-glucuronidase reveals candidate lysosomal targeting and active-site motifs.
Nat.Struct.Biol., 3, 1996
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7PJJ
 | | Structure of the Family-3 Glycosyl Hydrolase BcpE2 from Streptomyces scabies | | Descriptor: | Beta-glucosidase, GLYCEROL | | Authors: | Jadot, C, Herman, R, Deflandre, B, Rigali, S, Kerff, F. | | Deposit date: | 2021-08-24 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.086 Å) | | Cite: | Structure and Function of BcpE2, the Most Promiscuous GH3-Family Glucose Scavenging Beta-Glucosidase.
Mbio, 13, 2022
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4WTQ
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6UVK
 | | OXA-48 bound by inhibitor CDD-97 | | Descriptor: | 1,2-ETHANEDIOL, 1-{4-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl}piperidine-4-carboxylic acid, Beta-lactamase, ... | | Authors: | Taylor, D.M, Hu, L, Prasad, B.V.V, Sankaran, B, Palzkill, T.G. | | Deposit date: | 2019-11-02 | | Release date: | 2020-05-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identifying Oxacillinase-48 Carbapenemase Inhibitors Using DNA-Encoded Chemical Libraries.
Acs Infect Dis., 6, 2020
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6OI2
 | | Crystal structure of human WDR5 in complex with symmetric dimethyl-L-arginine | | Descriptor: | GLYCEROL, N3, N4-DIMETHYLARGININE, ... | | Authors: | Lorton, B.M, Harijan, R.K, Burgos, E, Bonanno, J.B, Almo, S.C, Shechter, D. | | Deposit date: | 2019-04-08 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | A Binary Arginine Methylation Switch on Histone H3 Arginine 2 Regulates Its Interaction with WDR5.
Biochemistry, 59, 2020
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4WYC
 | | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a thiazole benzamide inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-(1H-imidazol-1-yl)benzamide, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | | Authors: | Finzel, B.C, Dai, R, Geders, T.W. | | Deposit date: | 2014-11-17 | | Release date: | 2015-07-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA.
J.Med.Chem., 58, 2015
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7T4Z
 | | Crystal structure of the molybdate-binding periplasmic protein ModA from the bacteria Pseudomonsa aeruginosa in ligand-free form | | Descriptor: | AMMONIUM ION, GLYCEROL, Molybdate-binding periplasmic protein, ... | | Authors: | Ngu, D.H.Y, Luo, Z, Lim, B.Y.J, Kobe, B. | | Deposit date: | 2021-12-10 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | The Impact of Chromate on Pseudomonas aeruginosa Molybdenum Homeostasis.
Front Microbiol, 13, 2022
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7TBC
 | | Crystal structure of Plasmepsin X from Plasmodium falciparum in complex with WM382 | | Descriptor: | (4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Christensen, J.B, Hodder, A.N, Scally, S.W, Cowman, A.F. | | Deposit date: | 2021-12-21 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
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6Y27
 | | Crystal structure of HLA-B2709 complexed with the nona-peptide mA | | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ... | | Authors: | Loll, B, Rueckert, C, Ziegler, B.-U, Ziegler, A. | | Deposit date: | 2020-02-15 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | A CENTRAL PEPTIDE RESIDUE CAN CONTROL
MHC POLYMORPHISM-DEPENDENT ANTIGEN PRESENTATION
to be published
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5L59
 | | Plexin A1 full extracellular region, domains 1 to 10, to 6 angstrom, spacegroup P2(1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-A1, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y. | | Deposit date: | 2016-05-28 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (6 Å) | | Cite: | Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
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6OWH
 | | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 92 | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Histone acetyltransferase KAT8, ... | | Authors: | Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B. | | Deposit date: | 2019-05-09 | | Release date: | 2020-04-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
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6UUM
 | | Crystal structure of antibody 438-B11 DSS mutant (Cys98A-Cys100aA) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, B11 DSS Fab Heavy Chain, ... | | Authors: | Kumar, S, Wilson, I.A. | | Deposit date: | 2019-10-30 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A V H 1-69 antibody lineage from an infected Chinese donor potently neutralizes HIV-1 by targeting the V3 glycan supersite.
Sci Adv, 6, 2020
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6OXH
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8FNZ
 | | Acetylated tau repeat 1 and 2 fragment (AcR1R2) | | Descriptor: | Microtubule-associated protein tau, acetylated repeat 1 and 2 fragment | | Authors: | Li, L, Nguyen, A.B, Mullapudi, V, Joachimiak, L. | | Deposit date: | 2022-12-29 | | Release date: | 2023-06-28 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.88 Å) | | Cite: | Disease-associated patterns of acetylation stabilize tau fibril formation.
Structure, 31, 2023
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7TBB
 | | Crystal structure of Plasmepsin X from Plasmodium falciparum | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ... | | Authors: | Christensen, J.B, Hodder, A.N, Dietrich, M.H, Scally, S.W, Cowman, A.F. | | Deposit date: | 2021-12-21 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
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7T8L
 | | BrxR from Acinetobacter BREX type I phage restriction system | | Descriptor: | 1,2-ETHANEDIOL, BrxR, CHLORIDE ION | | Authors: | Doyle, L, Kaiser, B, Stoddard, B. | | Deposit date: | 2021-12-16 | | Release date: | 2022-05-18 | | Last modified: | 2022-06-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification and characterization of the WYL BrxR protein and its gene as separable regulatory elements of a BREX phage restriction system.
Nucleic Acids Res., 50, 2022
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6Y29
 | | Crystal structure of HLA-B2709 complexed with the nona-peptide mE | | Descriptor: | Beta-2-microglobulin, GLYCEROL, Lymphocyte antigen HLA-B27, ... | | Authors: | Loll, B, Rueckert, C, Ziegler, B.-U, Ziegler, A. | | Deposit date: | 2020-02-15 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | A CENTRAL PEPTIDE RESIDUE CAN CONTROL
MHC POLYMORPHISM-DEPENDENT ANTIGEN PRESENTATION
to be published
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7TE3
 | | Crystal Structure of a Double Loop Deletion Mutant in gC1qR/C1qBP/HABP-1 | | Descriptor: | Complement component 1 Q subcomponent-binding protein, mitochondrial | | Authors: | Geisbrecht, B.V. | | Deposit date: | 2022-01-04 | | Release date: | 2022-06-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | gC1qR/C1qBP/HABP-1: Structural Analysis of the Trimeric Core Region, Interactions With a Novel Panel of Monoclonal Antibodies, and Their Influence on Binding to FXII.
Front Immunol, 13, 2022
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5IQV
 | | WelO5 bound to Fe, Cl, 2-oxoglutarate, 12-epifischerindole U, and nitric oxide | | Descriptor: | (6aS,9R,10R,10aS)-9-ethyl-10-isocyano-6,6,9-trimethyl-5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole, 2-OXOGLUTARIC ACID, CHLORIDE ION, ... | | Authors: | Mitchell, A.J, Boal, A.K. | | Deposit date: | 2016-03-11 | | Release date: | 2016-06-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for halogenation by iron- and 2-oxo-glutarate-dependent enzyme WelO5.
Nat.Chem.Biol., 12, 2016
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6S9M
 | | Designed Armadillo Repeat protein Lock2 fused to target peptide KRKRKAKITW | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Lock2_KRKRKAKITW, ... | | Authors: | Ernst, P, Zosel, F, Reichen, C, Schuler, B, Pluckthun, A. | | Deposit date: | 2019-07-15 | | Release date: | 2020-02-19 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Guided Design of a Peptide Lock for Modular Peptide Binders.
Acs Chem.Biol., 15, 2020
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6P3X
 | | Crystal Structure of Full Length APOBEC3G E/Q (pH 7.0) | | Descriptor: | Apolipoprotein B mRNA editing enzyme, catalytic peptide-like 3G, ZINC ION | | Authors: | Yang, H.J, Li, S.X, Chen, X.S. | | Deposit date: | 2019-05-25 | | Release date: | 2020-02-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.402 Å) | | Cite: | Understanding the structural basis of HIV-1 restriction by the full length double-domain APOBEC3G.
Nat Commun, 11, 2020
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6YBG
 | | Structure of Mcl-1 in complex with compound 2g | | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-(2-methoxyphenyl)propanoic acid, CHLORIDE ION, 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 (2.1 Å) | | Cite: | Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor.
J.Med.Chem., 63, 2020
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8RZL
 | | Sulfolobus acidocaldarius threads (0406) filament. | | Descriptor: | Sulfolobus acidocaldarius threads (0406) filament., alpha-D-mannopyranose, beta-D-glucopyranose-(1-4)-6-deoxy-6-sulfo-beta-D-glucopyranose-(1-3)-[alpha-D-mannopyranose-(1-4)][alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Isupov, M.N, Gaines, M, McLaren, M, Daum, B. | | Deposit date: | 2024-02-12 | | Release date: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.65 Å) | | Cite: | Sulfolobus acidocaldarius threads (0406) filament.
To Be Published
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6UUL
 | | Crystal structure of broad and potent HIV-1 neutralizing antibody 438-D5 | | Descriptor: | 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, D5 Fab Heavy Chain, ... | | Authors: | Kumar, S, Wilson, I.A. | | Deposit date: | 2019-10-30 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | A V H 1-69 antibody lineage from an infected Chinese donor potently neutralizes HIV-1 by targeting the V3 glycan supersite.
Sci Adv, 6, 2020
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4WUY
 | | Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a Cell-Active, Potent and Selective Inhibitor | | Descriptor: | 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide, GLYCEROL, N-lysine methyltransferase SMYD2, ... | | Authors: | Nguyen, H, Allali-Hassani, A, Antonysamy, S, Chang, S, Chen, L.H, Curtis, C, Emtage, S, Fan, L, Gheyi, T, Li, F, Liu, S, Martin, J.R, Mendel, D, Olsen, J.B, Pelletier, L, Shatseva, T, Wu, S, Zhang, F.F, Arrowsmith, C.H, Brown, P.J, Campbell, R.M, Garcia, B.A, Barsyte-Lovejoy, D, Mader, M, Vedadi, M. | | Deposit date: | 2014-11-04 | | Release date: | 2015-04-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2.
J.Biol.Chem., 290, 2015
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