8FM6
 
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8GBK
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8HD6
 | | The relaxed pre-Tet-S1 state of G264A mutated Tetrahymena group I intron with 6nt 3'/5'-exon and 2-aminopurine nucleoside | | Descriptor: | MAGNESIUM ION, SPERMIDINE, The relaxed pre-Tet-S1 state molecule of co-transcriptional folded G264A mutant Tetrahymena group I intron with 6nt 3'/5'-exon and 2-aminopurine nucleoside | | Authors: | Luo, B, Zhang, C, Ling, X, Mukherjee, S, Jia, G, Xie, J, Jia, X, Liu, L, Baulin, E.F, Luo, Y, Jiang, L, Dong, H, Wei, X, Bujnicki, J.M, Su, Z. | | Deposit date: | 2022-11-03 | | Release date: | 2023-03-29 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.73 Å) | | Cite: | Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023
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8HD7
 | | The intermediate pre-Tet-S1 state of G264A mutated Tetrahymena group I intron with 6nt 3'/5'-exon and 2-aminopurine nucleoside | | Descriptor: | MAGNESIUM ION, SPERMIDINE, The intermediate pre-Tet-S1 state molecule of co-transcriptional folded G264A mutant Tetrahymena group I intron with 6nt 3'/5'-exon and 2-aminopurine nucleoside | | Authors: | Luo, B, Zhang, C, Ling, X, Mukherjee, S, Jia, G, Xie, J, Jia, X, Liu, L, Baulin, E.F, Luo, Y, Jiang, L, Dong, H, Wei, X, Bujnicki, J.M, Su, Z. | | Deposit date: | 2022-11-03 | | Release date: | 2023-03-29 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023
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3GRT
 | | HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, OXIDIZED TRYPANOTHIONE COMPLEX | | Descriptor: | 2-AMINO-4-[4-(4-AMINO-4-CARBOXY-BUTYRYLAMINO)-5,8,19,22-TETRAOXO-1,2-DITHIA-6,9,13,18,21-PENTAAZA-CYCLOTETRACOS-23-YLCARBAMOYL]-BUTYRIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE | | Authors: | Stoll, V.S, Simpson, S.J, Krauth-Siegel, R.L, Walsh, C.T, Pai, E.F. | | Deposit date: | 1997-02-12 | | Release date: | 1997-08-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
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8BWK
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8C03
 | | Structure of SLC40/ferroportin in complex with vamifeport and synthetic nanobody Sy12 in outward-facing conformation | | Descriptor: | 2-[2-[2-(1~{H}-benzimidazol-2-yl)ethylamino]ethyl]-~{N}-[(3-fluoranylpyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide, Solute carrier family 40 member 1 | | Authors: | Lehmann, E.F, Liziczai, M, Drozdzyk, K, Dutzler, R, Manatschal, C. | | Deposit date: | 2022-12-15 | | Release date: | 2023-03-22 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (3.89 Å) | | Cite: | Structures of ferroportin in complex with its specific inhibitor vamifeport.
Elife, 12, 2023
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8BZY
 | | Structure of SLC40/ferroportin in complex with vamifeport and synthetic nanobody Sy3 in occluded conformation | | Descriptor: | 2-[2-[2-(1~{H}-benzimidazol-2-yl)ethylamino]ethyl]-~{N}-[(3-fluoranylpyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide, DIUNDECYL PHOSPHATIDYL CHOLINE, Solute carrier family 40 member 1, ... | | Authors: | Lehmann, E.F, Liziczai, M, Drozdzyk, K, Dutzler, R, Manatschal, C. | | Deposit date: | 2022-12-15 | | Release date: | 2023-03-22 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (3.24 Å) | | Cite: | Structures of ferroportin in complex with its specific inhibitor vamifeport.
Elife, 12, 2023
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8C02
 | | Structure of SLC40/ferroportin in complex with synthetic nanobody Sy3 in occluded conformation | | Descriptor: | Solute carrier family 40 member 1, Sybody3 | | Authors: | Lehmann, E.F, Liziczai, M, Drozdzyk, K, Dutzler, R, Manatschal, C. | | Deposit date: | 2022-12-15 | | Release date: | 2023-03-22 | | Last modified: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (4.09 Å) | | Cite: | Structures of ferroportin in complex with its specific inhibitor vamifeport.
Elife, 12, 2023
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6HGB
 | | Influenza A virus N6 neuraminidase native structure (Duck/England/56). | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F. | | Deposit date: | 2018-08-23 | | Release date: | 2018-09-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. (In preparation)
To Be Published
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6HCX
 | | Influenza Virus N9 Neuraminidase A complex with Zanamivir molecule (Tern). | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | Authors: | Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F. | | Deposit date: | 2018-08-16 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. (In preparation)
To Be Published
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6HEB
 | | Influenza A Virus N9 Neuraminidase complex with Oseltamivir (Tern). | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F. | | Deposit date: | 2018-08-20 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site.
To Be Published
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6HFC
 | | Influenza A Virus N9 Neuraminidase Native (Tern). | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CARBON DIOXIDE, ... | | Authors: | Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F. | | Deposit date: | 2018-08-21 | | Release date: | 2018-08-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. (In preparation)
To Be Published
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6HFY
 | | Influenza A virus N6 neuraminidase complex with DANA (Duck/England/56). | | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F. | | Deposit date: | 2018-08-22 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. (In preparation)
To Be Published
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6HG5
 | | Influenza A virus N6 neuraminidase complex with Oseltamivir (Duck/England/56). | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F. | | Deposit date: | 2018-08-22 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site.
To Be Published
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5EA0
 | | Structure of the antibody 7968 with human complement factor H-derived peptide | | Descriptor: | Complement factor H-related protein 2, Heavy chain of antibody 7968 Fab fragment, Light chain of antibody 7968 Fab fragment | | Authors: | Bushey, R.T, Moody, M.A, Nicely, N.I, Alam, S.M, Haynes, B.F, Winkler, M.T, Gottlin, E.B, Campa, M.J, Liao, H.-X, Patz Jr, E.F. | | Deposit date: | 2015-10-15 | | Release date: | 2016-05-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Therapeutic Antibody for Cancer, Derived from Single Human B Cells.
Cell Rep, 15, 2016
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6HG0
 | | Influenza A Virus N9 Neuraminidase complex with NANA (Tern/Australia). | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | Authors: | Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F. | | Deposit date: | 2018-08-22 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. (In preparation)
To Be Published
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7AEY
 | | Salmonella typhimurium neuraminidase in complex with isocarba-DANA. | | Descriptor: | (3~{S},4~{S},5~{R})-4-acetamido-3-oxidanyl-5-[(1~{S},2~{R})-1,2,3-tris(oxidanyl)propyl]cyclohexane-1-carboxylic acid, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Salinger, M.T, Kuhn, P, Laver, W.G, Pape, T, Schneider, T.R, Sheldrick, G.M, Vasella, A.T, Vimr, E.R, Vorwerk, S, Garman, E.F. | | Deposit date: | 2020-09-18 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.919 Å) | | Cite: | Salmonella typhimurium neuraminidase in complex with isocarba-DANA.
To Be Published
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7QZV
 | | Hm-AMP2 | | Descriptor: | Hm-AMP2 | | Authors: | Grafskaia, E.N, Pavlova, E.R, Latsis, I.A, Malakhova, M.V, Lavrenova, V.N, Ivchenkov, D.V, Bashkirov, P.V, Kot, E.F, Mineev, K.S, Arseniev, A.S, Klinov, D.V, Lazarev, V.N. | | Deposit date: | 2022-02-01 | | Release date: | 2022-11-23 | | Method: | SOLUTION NMR | | Cite: | Non-toxic antimicrobial peptide Hm-AMP2 from leech metagenome proteins identified by the gradient-boosting approach
Materials, 224, 2022
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7QZW
 | | Hm-AMP8 | | Descriptor: | Hm-AMP8 | | Authors: | Grafskaia, E.N, Pavlova, E.R, Latsis, I.A, Malakhova, M.V, Lavrenova, V.N, Ivchenkov, D.V, Bashkirov, P.V, Kot, E.F, Mineev, K.S, Arseniev, A.S, Klinov, D.V, Lazarev, V.N. | | Deposit date: | 2022-02-01 | | Release date: | 2023-02-15 | | Method: | SOLUTION NMR | | Cite: | The study of the interaction of cationic peptides from a medical leech with blood components as a first step to the systemic use of antimicrobial peptides for therapy of infectious diseases
To Be Published
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7AF2
 | | Salmonella typhimurium neuraminidase mutant (D62G) | | Descriptor: | GLYCEROL, PHOSPHATE ION, Sialidase | | Authors: | Salinger, M.T, Kuhn, P, Laver, W.G, Pape, T, Schneider, T.R, Sheldrick, G.M, Vimr, E.R, Garman, E.F. | | Deposit date: | 2020-09-19 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.792 Å) | | Cite: | Salmonella typhimurium neuraminidase mutant (D62G)
To Be Published
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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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1GRT
 | | HUMAN GLUTATHIONE REDUCTASE A34E/R37W MUTANT | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE | | Authors: | Stoll, V.S, Simpson, S.J, Krauth-Siegel, R.L, Walsh, C.T, Pai, E.F. | | Deposit date: | 1996-12-17 | | Release date: | 1997-06-16 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
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7JMT
 | | Crystal structure of schistosome BCL-2 bound to ABT-737 | | Descriptor: | 4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-3-NITROPHENYL]SULFONYL}BENZAMIDE, BCL-2 protein | | Authors: | Smith, N.A, Smith, B.J, Lee, E.F, Colman, P.M, Fairlie, W.D. | | Deposit date: | 2020-08-02 | | Release date: | 2021-02-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2.
Acs Infect Dis., 7, 2021
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