5NCA
 
 | | Solution structure of ComGC from Streptococcus pneumoniae | | Descriptor: | Competence protein ComGC | | Authors: | Erlendsson, S, Schmeider, P, Lichtenberg, C, Teilum, K, Akbey, U. | | Deposit date: | 2017-03-03 | | Release date: | 2017-07-05 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Structure of the competence pilus major pilin ComGC in Streptococcus pneumoniae.
J. Biol. Chem., 292, 2017
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6F2D
 | | A FliPQR complex forms the core of the Salmonella type III secretion system export apparatus. | | Descriptor: | Flagellar biosynthetic protein FliP, Flagellar biosynthetic protein FliQ, Flagellar biosynthetic protein FliR | | Authors: | Johnson, S, Kuhlen, L, Abrusci, P, Lea, S.M. | | Deposit date: | 2017-11-24 | | Release date: | 2018-07-04 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structure of the core of the type III secretion system export apparatus.
Nat. Struct. Mol. Biol., 25, 2018
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8JBO
 | | Crystal structure of TxGH116 from Thermoanaerobacterium xylanolyticum with isofagomine | | Descriptor: | 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, CALCIUM ION, ... | | Authors: | Pengthaisong, S, Ketudat Cairns, J.R. | | Deposit date: | 2023-05-09 | | Release date: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for inhibition of a GH116 beta-glucosidase and its missense mutants by GBA2 inhibitors: Crystallographic and quantum chemical study.
Chem.Biol.Interact., 384, 2023
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5X0O
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5X0N
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7TEO
 | | Cryo-EM structure of the 20S Alpha 3 Deletion proteasome core particle in complex with FUB1 | | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-4, ... | | Authors: | Walsh Jr, R.M, Rawson, S, Schnell, H.M, Hanna, J. | | Deposit date: | 2022-01-05 | | Release date: | 2022-08-10 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Yeast PI31 inhibits the proteasome by a direct multisite mechanism.
Nat.Struct.Mol.Biol., 29, 2022
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7TEJ
 | | Cryo-EM structure of the 20S Alpha 3 Deletion proteasome core particle | | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-4, ... | | Authors: | Walsh Jr, R.M, Rawson, S, Schnell, H.M, Hanna, J. | | Deposit date: | 2022-01-05 | | Release date: | 2022-08-10 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (2.74 Å) | | Cite: | Yeast PI31 inhibits the proteasome by a direct multisite mechanism.
Nat.Struct.Mol.Biol., 29, 2022
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2WPC
 | | Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00073357) | | Descriptor: | (4S)-6-CHLORO-3-{2-[4-(FURAN-2-YLCARBONYL)PIPERAZIN-1-YL]ETHYL}-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Alphey, M.S, Patterson, S, Fairlamb, A.H. | | Deposit date: | 2009-08-05 | | Release date: | 2010-10-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography.
J.Med.Chem., 54, 2011
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2WPE
 | | Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00073359) | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | | Authors: | Alphey, M.S, Patterson, S, Fairlamb, A.H. | | Deposit date: | 2009-08-06 | | Release date: | 2010-10-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography.
J.Med.Chem., 54, 2011
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2WPF
 | | Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00085762) | | Descriptor: | 3-[(4S)-6-CHLORO-2-METHYL-4-(4-METHYLPHENYL)QUINAZOLIN-3(4H)-YL]-N,N-DIMETHYLPROPAN-1-AMINE, BROMIDE ION, CHLORIDE ION, ... | | Authors: | Alphey, M.S, Patterson, S, Fairlamb, A.H. | | Deposit date: | 2009-08-06 | | Release date: | 2010-10-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography.
J.Med.Chem., 54, 2011
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2WP6
 | | Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00071494) | | Descriptor: | (4S)-3-BENZYL-6-CHLORO-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Alphey, M.S, Patterson, S, Fairlamb, A.H. | | Deposit date: | 2009-08-03 | | Release date: | 2010-10-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography.
J.Med.Chem., 54, 2011
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2WP5
 | | Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00065414) | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | | Authors: | Alphey, M.S, Patterson, S, Fairlamb, A.H. | | Deposit date: | 2009-08-03 | | Release date: | 2010-10-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography.
J.Med.Chem., 54, 2011
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6BU7
 | | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor RD130 1-[2-(Piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole | | Descriptor: | 1-[2-(piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Bryson, S, De Gasparo, R, Krauth-Siegel, R.L, Diederich, F, Pai, E.F. | | Deposit date: | 2017-12-08 | | Release date: | 2018-06-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Biological Evaluation and X-ray Co-crystal Structures of Cyclohexylpyrrolidine Ligands for Trypanothione Reductase, an Enzyme from the Redox Metabolism of Trypanosoma.
ChemMedChem, 13, 2018
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6BTL
 | | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor RD117 1-[2-(Piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole | | Descriptor: | 1-[2-(piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Bryson, S, De Gasparo, R, Krauth-Siegel, R.L, Diederich, F, Pai, E.F. | | Deposit date: | 2017-12-06 | | Release date: | 2018-06-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.797 Å) | | Cite: | Biological Evaluation and X-ray Co-crystal Structures of Cyclohexylpyrrolidine Ligands for Trypanothione Reductase, an Enzyme from the Redox Metabolism of Trypanosoma.
ChemMedChem, 13, 2018
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5FHK
 | | Regulatory domain of AphB in Vibrio vulnificus | | Descriptor: | LysR family transcriptional regulator | | Authors: | Song, S, Ha, N.-C. | | Deposit date: | 2015-12-22 | | Release date: | 2017-01-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.905 Å) | | Cite: | Crystal Structure of the Regulatory Domain of AphB from Vibrio vulnificus, a Virulence Gene Regulator
Mol. Cells, 40, 2017
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8UCS
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7BZM
 | | Crystal structure of rice Os3BGlu7 with glucoimidazole | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, GLUCOIMIDAZOLE, ... | | Authors: | Pengthaisong, S, Ketudat Cairns, J.R, Tankrathok, A. | | Deposit date: | 2020-04-28 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis of Specific Glucoimidazole and Mannoimidazole Binding by Os3BGlu7.
Biomolecules, 10, 2020
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2VJ2
 | | Human Jagged-1, domains DSL and EGFs1-3 | | Descriptor: | D-MALATE, JAGGED-1 | | Authors: | Johnson, S, Cordle, J, Tay, J.Z, Roversi, P, Handford, P.A, Lea, S.M. | | Deposit date: | 2007-12-06 | | Release date: | 2008-07-29 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A Conserved Face of the Jagged/Serrate Dsl Domain is Involved in Notch Trans-Activation and Cis-Inhibition.
Nat.Struct.Mol.Biol., 15, 2008
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2VJ3
 | | Human Notch-1 EGFs 11-13 | | Descriptor: | CALCIUM ION, CHLORIDE ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1, ... | | Authors: | Johnson, S, Cordle, J, Tay, J.Z, Roversi, P, Lea, S.M. | | Deposit date: | 2007-12-06 | | Release date: | 2008-07-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A Conserved Face of the Jagged/Serrate Dsl Domain is Involved in Notch Trans-Activation and Cis-Inhibition.
Nat.Struct.Mol.Biol., 15, 2008
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3D0L
 | | Crystal structure of the HIV-1 broadly neutralizing antibody 2F5 in complex with the gp41 FP-MPER Hyb3K construct 514GIGALFLGFLGAAGS528KK-Ahx-655KNEQELLELDKWASLWN671 | | Descriptor: | 2F5 heavy chain, 2F5 light chain, GLYCEROL, ... | | Authors: | Bryson, S, Julien, J.P, Pai, E.F. | | Deposit date: | 2008-05-01 | | Release date: | 2008-10-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural details of HIV-1 recognition by the broadly neutralizing monoclonal antibody 2F5: epitope conformation, antigen-recognition loop mobility, and anion-binding site.
J.Mol.Biol., 384, 2008
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3D0V
 | | Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide LLELDKWASLW | | Descriptor: | 2F5 Fab heavy chain, 2F5 Fab light chain, gp41 peptide LLELDKWASLW | | Authors: | Bryson, S, Julien, J.P, Pai, E.F. | | Deposit date: | 2008-05-02 | | Release date: | 2008-07-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural details of HIV-1 recognition by the broadly neutralizing monoclonal antibody 2F5: epitope conformation, antigen-recognition loop mobility, and anion-binding site.
J.Mol.Biol., 384, 2008
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3KXE
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3DRQ
 | | Crystal structure of the HIV-1 broadly neutralizing antibody 2F5 in complex with the gp41 FP-MPER Hyb3K construct 514GIGALFLGFLGAAGS528KK-Ahx-655KNEQELLELDKWASLWN671 soaked in PEG/2-propanol solution | | Descriptor: | 2F5 Fab' heavy chain, 2F5 Fab' light chain, GLYCEROL, ... | | Authors: | Bryson, S, Julien, J.P, Pai, E.F. | | Deposit date: | 2008-07-11 | | Release date: | 2008-10-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural details of HIV-1 recognition by the broadly neutralizing monoclonal antibody 2F5: epitope conformation, antigen-recognition loop mobility, and anion-binding site.
J.Mol.Biol., 384, 2008
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5FUM
 | | Mus musculus acetylcholinesterase in complex with AL200 | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-(biphenyl-4-yloxy)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanone, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | | Authors: | Knutsson, S, Engdahl, C, Ekstrom, F, Linusson, A. | | Deposit date: | 2016-01-28 | | Release date: | 2016-09-21 | | Last modified: | 2018-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of Selective Inhibitors Targeting Acetylcholinesterase 1 from Disease-Transmitting Mosquitoes.
J.Med.Chem., 17, 2016
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3IRD
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