8CRF
 
 | | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 5E11 refined against anomalous diffraction data | | Descriptor: | Host translation inhibitor nsp1, ~{N}-methyl-1-(4-thiophen-2-ylphenyl)methanamine | | Authors: | Ma, S, Mykhaylyk, V, Pinotsis, N, Bowler, M.W, Kozielski, F. | | Deposit date: | 2023-03-08 | | Release date: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | High-Confidence Placement of Fragments into Electron Density Using Anomalous Diffraction-A Case Study Using Hits Targeting SARS-CoV-2 Non-Structural Protein 1.
Int J Mol Sci, 24, 2023
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8CRK
 | | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7H2 refined against anomalous diffraction data | | Descriptor: | (1~{R})-1-(4-chlorophenyl)ethanamine, Host translation inhibitor nsp1 | | Authors: | Ma, S, Mikhailik, V, Pinotsis, N, Bowler, M.W, Kozielski, F. | | Deposit date: | 2023-03-08 | | Release date: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | High-Confidence Placement of Fragments into Electron Density Using Anomalous Diffraction-A Case Study Using Hits Targeting SARS-CoV-2 Non-Structural Protein 1.
Int J Mol Sci, 24, 2023
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8CRM
 | | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11C6 refined against anomalous diffraction data | | Descriptor: | 1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-~{N}-methyl-methanamine, Host translation inhibitor nsp1 | | Authors: | Ma, S, Mikhailik, V, Pinotsis, N, Bowler, M.W, Kozielski, F. | | Deposit date: | 2023-03-08 | | Release date: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | High-Confidence Placement of Fragments into Electron Density Using Anomalous Diffraction-A Case Study Using Hits Targeting SARS-CoV-2 Non-Structural Protein 1.
Int J Mol Sci, 24, 2023
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5KRD
 | | Crystal structure of haliscomenobacter hydrossis iodotyrosine deiodinase (IYD) bound to FMN and 2-iodophenol (2IP) | | Descriptor: | 2-iodanylphenol, FLAVIN MONONUCLEOTIDE, Nitroreductase | | Authors: | Ingavat, N, Kavran, J.M, Sun, Z, Rokita, S. | | Deposit date: | 2016-07-07 | | Release date: | 2017-02-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.103 Å) | | Cite: | Active Site Binding Is Not Sufficient for Reductive Deiodination by Iodotyrosine Deiodinase.
Biochemistry, 56, 2017
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6V8V
 | | Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase in complex with ceftazidime-2 | | Descriptor: | ACYLATED CEFTAZIDIME, Beta-lactamase | | Authors: | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | | Deposit date: | 2019-12-12 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
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5KO8
 | | Crystal structure of haliscomenobacter hydrossis iodotyrosine deiodinase (IYD) bound to FMN and mono-iodotyrosine (I-Tyr) | | Descriptor: | 3-IODO-TYROSINE, FLAVIN MONONUCLEOTIDE, Nitroreductase | | Authors: | Ingavat, N, Kavran, J.M, Sun, Z, Rokita, S.E. | | Deposit date: | 2016-06-29 | | Release date: | 2017-02-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Active Site Binding Is Not Sufficient for Reductive Deiodination by Iodotyrosine Deiodinase.
Biochemistry, 56, 2017
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5DPX
 | | 1,2,4-Triazole-3-thione compounds as inhibitors of L1, di-zinc metallo-beta-lactamases. | | Descriptor: | 5-(2-methylphenyl)-3H-1,2,4-triazole-3-thione, Metallo-beta-lactamase L1 type 3, SULFATE ION, ... | | Authors: | Nauton, L, Garau, G, Khan, R, Dideberg, O. | | Deposit date: | 2015-09-14 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 1,2,4-Triazole-3-thione Compounds as Inhibitors of Dizinc Metallo-beta-lactamases.
ChemMedChem, 12, 2017
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2J8M
 | | Structure of P. aeruginosa acetyltransferase PA4866 | | Descriptor: | ACETYLTRANSFERASE PA4866 FROM P. AERUGINOSA, AZIDE ION, GLYCEROL, ... | | Authors: | Davies, A.M, Tata, R, Beavil, R.L, Sutton, B.J, Brown, P.R. | | Deposit date: | 2006-10-26 | | Release date: | 2007-02-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | L-Methionine Sulfoximine, But not Phosphinothricin, is a Substrate for an Acetyltransferase (Gene Pa4866) from Pseudomonas Aeruginosa: Structural and Functional Studies.
Biochemistry, 46, 2007
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2J8R
 | | Structure of P. aeruginosa acetyltransferase PA4866 solved in complex with L-Methionine sulfoximine | | Descriptor: | (2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACID, ACETYLTRANSFERASE PA4866 FROM P. AERUGINOSA, AZIDE ION, ... | | Authors: | Davies, A.M, Tata, R, Beavil, R.L, Sutton, B.J, Brown, P.R. | | Deposit date: | 2006-10-27 | | Release date: | 2007-02-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | L-Methionine Sulfoximine, But not Phosphinothricin, is a Substrate for an Acetyltransferase (Gene Pa4866) from Pseudomonas Aeruginosa: Structural and Functional Studies.
Biochemistry, 46, 2007
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2J8N
 | | Structure of P. aeruginosa acetyltransferase PA4866 solved at room temperature | | Descriptor: | ACETYLTRANSFERASE PA4866 FROM P. AERUGINOSA | | Authors: | Davies, A.M, Tata, R, Beavil, R.L, Sutton, B.J, Brown, P.R. | | Deposit date: | 2006-10-26 | | Release date: | 2007-02-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | l-Methionine sulfoximine, but not phosphinothricin, is a substrate for an acetyltransferase (gene PA4866) from Pseudomonas aeruginosa: structural and functional studies.
Biochemistry, 46, 2007
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6E2R
 | | Mechanism of cellular recognition by PCV2 | | Descriptor: | Capsid protein of PCV2 | | Authors: | Khayat, R, Dhindwal, S. | | Deposit date: | 2018-07-12 | | Release date: | 2018-12-26 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Porcine Circovirus 2 Uses a Multitude of Weak Binding Sites To Interact with Heparan Sulfate, and the Interactions Do Not Follow the Symmetry of the Capsid.
J.Virol., 93, 2019
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7QDF
 | | Hexameric HIV-1 (M-group) CA R120 mutant | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, Gag polyprotein, ... | | Authors: | Govasli, M.A.L, Pinotsis, N, McAlpine-Scott, S. | | Deposit date: | 2021-11-26 | | Release date: | 2022-10-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.304 Å) | | Cite: | Evasion of cGAS and TRIM5 defines pandemic HIV.
Nat Microbiol, 7, 2022
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6E39
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6E34
 | | Capsid protein of PCV2 with N,O6-DISULFO-GLUCOSAMINE and 2-O-sulfo-alpha-L-idopyranuronic acid | | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Capsid protein of PCV2 | | Authors: | Khayat, R, Dhindwal, S. | | Deposit date: | 2018-07-13 | | Release date: | 2018-12-26 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Porcine Circovirus 2 Uses a Multitude of Weak Binding Sites To Interact with Heparan Sulfate, and the Interactions Do Not Follow the Symmetry of the Capsid.
J.Virol., 93, 2019
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6E2X
 | | Mechanism of cellular recognition by PCV2 | | Descriptor: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Capsid protein of PCV2 | | Authors: | Khayat, R, Dhindwal, S. | | Deposit date: | 2018-07-12 | | Release date: | 2018-12-26 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Porcine Circovirus 2 Uses a Multitude of Weak Binding Sites To Interact with Heparan Sulfate, and the Interactions Do Not Follow the Symmetry of the Capsid.
J.Virol., 93, 2019
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6E30
 | | Mechanism of cellular recognition by PCV2 | | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Capsid protein of PCV2 | | Authors: | Khayat, R, Dhindwal, S. | | Deposit date: | 2018-07-12 | | Release date: | 2018-12-26 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Porcine Circovirus 2 Uses a Multitude of Weak Binding Sites To Interact with Heparan Sulfate, and the Interactions Do Not Follow the Symmetry of the Capsid.
J.Virol., 93, 2019
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6E2Z
 | | Mechanism of cellular recognition by PCV2 | | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Capsid protein of PCV2 | | Authors: | Khayat, R, Dhindwal, S. | | Deposit date: | 2018-07-12 | | Release date: | 2018-12-26 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Porcine Circovirus 2 Uses a Multitude of Weak Binding Sites To Interact with Heparan Sulfate, and the Interactions Do Not Follow the Symmetry of the Capsid.
J.Virol., 93, 2019
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1B5P
 | | THERMUS THERMOPHILUS ASPARTATE AMINOTRANSFERASE DOUBLE MUTANT 1 | | Descriptor: | PHOSPHATE ION, PROTEIN (ASPARTATE AMINOTRANSFERASE), PYRIDOXAL-5'-PHOSPHATE | | Authors: | Ura, H, Nakai, T, Kawaguchi, S.I, Miyahara, I, Hirotsu, K, Kuramitsu, S. | | Deposit date: | 1999-01-07 | | Release date: | 2003-09-02 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Substrate recognition mechanism of thermophilic dual-substrate enzyme
J.BIOCHEM.(TOKYO), 130, 2001
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6E32
 | | Capsid protein of PCV2 with N,O6-DISULFO-GLUCOSAMINE | | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Capsid protein of PCV2 | | Authors: | Khayat, R, Dhindwal, S. | | Deposit date: | 2018-07-13 | | Release date: | 2018-12-26 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Porcine Circovirus 2 Uses a Multitude of Weak Binding Sites To Interact with Heparan Sulfate, and the Interactions Do Not Follow the Symmetry of the Capsid.
J.Virol., 93, 2019
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1B5O
 | | THERMUS THERMOPHILUS ASPARTATE AMINOTRANSFERASE SINGLE MUTANT 1 | | Descriptor: | PHOSPHATE ION, PROTEIN (ASPARTATE AMINOTRANSFERASE), PYRIDOXAL-5'-PHOSPHATE | | Authors: | Ura, H, Nakai, T, Kawaguchi, S.I, Miyahara, I, Hirotsu, K, Kuramitsu, S. | | Deposit date: | 1999-01-07 | | Release date: | 2003-09-02 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Substrate recognition mechanism of thermophilic dual-substrate enzyme
J.BIOCHEM.(TOKYO), 130, 2001
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5KO7
 | | Crystal structure of haliscomenobacter hydrossis iodotyrosine deiodinase (IYD) bound to FMN | | Descriptor: | FLAVIN MONONUCLEOTIDE, Nitroreductase | | Authors: | Ingavat, N, Kavran, J.M, Sun, Z, Rokita, S. | | Deposit date: | 2016-06-29 | | Release date: | 2017-02-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.248 Å) | | Cite: | Active Site Binding Is Not Sufficient for Reductive Deiodination by Iodotyrosine Deiodinase.
Biochemistry, 56, 2017
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4D0L
 | | Phosphatidylinositol 4-kinase III beta-PIK93 in a complex with Rab11a- GTP gammaS | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE, ... | | Authors: | Burke, J.E, Inglis, A.J, Perisic, O, Masson, G.R, McLaughin, S.H, Rutaganira, F, Shokat, K.M, Williams, R.L. | | Deposit date: | 2014-04-29 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Structures of Pi4Kiiibeta Complexes Show Simultaneous Recruitment of Rab11 and its Effectors.
Science, 344, 2014
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4D0M
 | | Phosphatidylinositol 4-kinase III beta in a complex with Rab11a-GTP- gamma-S and the Rab-binding domain of FIP3 | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE, ... | | Authors: | Burke, J.E, Inglis, A.J, Perisic, O, Masson, G.R, McLaughlin, S.H, Rutaganira, F, Shokat, K.M, Williams, R.L. | | Deposit date: | 2014-04-29 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (6 Å) | | Cite: | Structures of Pi4Kiiibeta Complexes Show Simultaneous Recruitment of Rab11 and its Effectors.
Science, 344, 2014
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4Q9D
 | | X-ray structure of a putative thiamin diphosphate-dependent enzyme isolated from Mycobacterium smegmatis | | Descriptor: | Benzoylformate decarboxylase, FORMIC ACID, MAGNESIUM ION | | Authors: | Andrews, F.H, Horton, J.D, Yoon, H.J, Malik, A.M.K, Logsdon, M.G, Shin, D.H, Kneen, M.M, Suh, S.W, McLeish, M.J. | | Deposit date: | 2014-04-30 | | Release date: | 2015-04-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The kinetic characterization and X-ray structure of a putative benzoylformate decarboxylase from M. smegmatis highlights the difficulties in the functional annotation of ThDP-dependent enzymes.
Biochim.Biophys.Acta, 1854, 2015
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6HIG
 | | hPD-1/NBO1a Fab complex | | Descriptor: | Heavy Chain, Light Chain, Programmed cell death protein 1 | | Authors: | Loredo-Varela, J.L, Fenwick, C, Pantaleo, G, Weissenhorn, W. | | Deposit date: | 2018-08-29 | | Release date: | 2019-06-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Tumor suppression of novel anti-PD-1 antibodies mediated through CD28 costimulatory pathway.
J.Exp.Med., 216, 2019
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