4ZWS
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1HD8
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1HW2
| FADR-DNA COMPLEX: TRANSCRIPTIONAL CONTROL OF FATTY ACID METABOLISM IN ECHERICHIA COLI | Descriptor: | 5'-D(*CP*GP*AP*TP*CP*TP*GP*GP*TP*CP*CP*GP*AP*CP*CP*AP*GP*AP*TP*GP*CP*T)-3', 5'-D(*G*CP*AP*TP*CP*TP*GP*GP*TP*CP*GP*GP*AP*CP*CP*AP*GP*AP*TP*CP*GP*A)-3', FATTY ACID METABOLISM REGULATOR PROTEIN, ... | Authors: | Xu, Y, Heath, R.J, Li, Z, Rock, C.O, White, S.W. | Deposit date: | 2001-01-09 | Release date: | 2001-01-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | The FadR.DNA complex. Transcriptional control of fatty acid metabolism in Escherichia coli. J.Biol.Chem., 276, 2001
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4ZWT
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1PKP
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5JLT
| The crystal structure of the bacteriophage T4 MotA C-terminal domain in complex with dsDNA reveals a novel protein-DNA recognition motif | Descriptor: | DNA (5'-D(*GP*AP*AP*GP*CP*TP*TP*TP*GP*CP*TP*TP*AP*AP*TP*AP*AP*TP*CP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*GP*AP*TP*TP*AP*TP*TP*AP*AP*GP*CP*AP*AP*AP*GP*CP*TP*TP*C)-3'), Middle transcription regulatory protein motA | Authors: | Cuypers, M.G, Robertson, R.M, Knipling, L, Hinton, D.M, White, S.W. | Deposit date: | 2016-04-27 | Release date: | 2017-05-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.955 Å) | Cite: | The phage T4 MotA transcription factor contains a novel DNA binding motif that specifically recognizes modified DNA. Nucleic Acids Res., 46, 2018
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1PT9
| Crystal Structure Analysis of the DIII Component of Transhydrogenase with a Thio-Nicotinamide Nucleotide Analogue | Descriptor: | 7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, GLYCEROL, NAD(P) transhydrogenase, ... | Authors: | Singh, A, Venning, J.D, Quirk, P.G, van Boxel, G.I, Rodrigues, D.J, White, S.A, Jackson, J.B. | Deposit date: | 2003-06-23 | Release date: | 2003-10-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Interactions between transhydrogenase and thio-nicotinamide analogues of NAD(H) and NADP(H) underline the importance of nucleotide conformational changes in coupling to proton translocation J.Biol.Chem., 278, 2003
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5VPX
| I38T mutant of 2009 H1N1 PA Endonuclease in complex with RO-7 | Descriptor: | 1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione, MANGANESE (II) ION, Polymerase acidic protein, ... | Authors: | Kumar, G, White, S.W. | Deposit date: | 2017-05-06 | Release date: | 2018-04-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors. MBio, 9, 2018
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5VQN
| E119D mutant of 2009 H1N1 PA Endonuclease in complex with RO-7 | Descriptor: | 1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione, MANGANESE (II) ION, Polymerase acidic protein, ... | Authors: | Kumar, G, White, S.W. | Deposit date: | 2017-05-09 | Release date: | 2018-04-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors. MBio, 9, 2018
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5EGA
| 2009 H1N1 PA endonuclease domain in complex with an N-acylhydrazone inhibitor | Descriptor: | 3,4,5-tris(oxidanyl)-~{N}-[(~{E})-[3,4,5-tris(oxidanyl)phenyl]methylideneamino]benzamide, MANGANESE (II) ION, Polymerase acidic protein | Authors: | Kumar, G, White, S.W. | Deposit date: | 2015-10-26 | Release date: | 2016-08-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | N-acylhydrazone inhibitors of influenza virus PA endonuclease with versatile metal binding modes. Sci Rep, 6, 2016
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5VPT
| 2009 H1N1 PA Endonuclease in complex with RO-7 | Descriptor: | 1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione, MANGANESE (II) ION, Polymerase acidic protein, ... | Authors: | Kumar, G, White, S.W. | Deposit date: | 2017-05-05 | Release date: | 2018-04-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors. MBio, 9, 2018
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5VRJ
| 2009 H1N1 PA Endonuclease in complex with RO-7 and Magnesium | Descriptor: | 1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione, MAGNESIUM ION, Polymerase acidic protein, ... | Authors: | Kumar, G, White, S.W. | Deposit date: | 2017-05-10 | Release date: | 2018-04-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors. MBio, 9, 2018
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6D88
| Tubulin-RB3_SLD-TTL in complex with compound 13f | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | Deposit date: | 2018-04-26 | Release date: | 2018-09-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.853 Å) | Cite: | Structural Modification of the 3,4,5-Trimethoxyphenyl Moiety in the Tubulin Inhibitor VERU-111 Leads to Improved Antiproliferative Activities. J. Med. Chem., 61, 2018
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6B9I
| The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with 14-Methylhexadecanoic Acid (Anteiso C17:0) to 1.93 Angstrom resolution | Descriptor: | (14S)-14-methylhexadecanoic acid, Fatty acid Kinase (Fak) B1, GLYCEROL, ... | Authors: | Cuypers, M.G, Ericson, M, Subramanian, C, White, S.W, Rock, C.O. | Deposit date: | 2017-10-10 | Release date: | 2018-10-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Acyl-chain selectivity and physiological roles ofStaphylococcus aureusfatty acid-binding proteins. J. Biol. Chem., 294, 2019
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6CNG
| The X-ray crystal structure of the Streptococcus pneumoniae Fatty Acid Kinase (Fak) B3 protein loaded with linoleic acid to 1.47 Angstrom resolution | Descriptor: | ACETATE ION, Fatty Acid Kinase (Fak) B3 protein, GLYCEROL, ... | Authors: | Cuypers, M.G, Subramanian, C, White, S.W, Rock, C.O. | Deposit date: | 2018-03-08 | Release date: | 2019-07-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | The X-ray crystal structure of the Streptococcus pneumoniae Fatty Acid Kinase (Fak) B3 protein loaded with linoleic acid to 1.47 Angstrom resolution To Be Published
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5VP8
| I38T mutant of 2009 H1N1 PA Endonuclease | Descriptor: | 1-[(3R,5S,7R)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2H-pyrrol-2-one, MANGANESE (II) ION, Polymerase acidic protein, ... | Authors: | Kumar, G, White, S.W. | Deposit date: | 2017-05-04 | Release date: | 2018-04-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors. MBio, 9, 2018
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6ALW
| The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with 12-Methyl Myristic Acid (C15:0) to 1.63 Angstrom resolution | Descriptor: | (12R)-12-methyltetradecanoic acid, (12S)-12-methyltetradecanoic acid, EDD domain protein, ... | Authors: | Cuypers, M.G, Ericson, M, Subramanian, C, White, S.W, Rock, C.O. | Deposit date: | 2017-08-08 | Release date: | 2018-11-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Acyl-chain selectivity and physiological roles ofStaphylococcus aureusfatty acid-binding proteins. J. Biol. Chem., 294, 2019
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5WB3
| Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 10j (SRI-30026) | Descriptor: | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-ox o-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ... | Authors: | Kumar, G, White, S.W. | Deposit date: | 2017-06-27 | Release date: | 2018-01-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.203 Å) | Cite: | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease. Sci Rep, 7, 2017
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5WFZ
| Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 8e (SRI-30049) | Descriptor: | 2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Kumar, G, White, S.W. | Deposit date: | 2017-07-13 | Release date: | 2017-12-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease. Sci Rep, 7, 2017
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5WF3
| Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 9k (SRI-30023) | Descriptor: | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4 -carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ... | Authors: | Kumar, G, White, S.W. | Deposit date: | 2017-07-11 | Release date: | 2018-01-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.251 Å) | Cite: | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease. Sci Rep, 7, 2017
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5WFW
| Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 10j (SRI-30026) | Descriptor: | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-ox o-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ... | Authors: | Kumar, G, White, S.W. | Deposit date: | 2017-07-12 | Release date: | 2018-01-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.292 Å) | Cite: | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease. Sci Rep, 7, 2017
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3SQ7
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5WAP
| Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 10i (SRI-30025) | Descriptor: | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ... | Authors: | Kumar, G, White, S.W. | Deposit date: | 2017-06-26 | Release date: | 2018-01-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease. Sci Rep, 7, 2017
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2F9T
| Structure of the type III CoaA from Pseudomonas aeruginosa | Descriptor: | Pantothenate Kinase | Authors: | Leonardi, R, Yun, M.K, Chohnan, S, White, S.W, Rock, C.O, Jackowski, S. | Deposit date: | 2005-12-06 | Release date: | 2006-08-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Prokaryotic Type II and Type III Pantothenate Kinases: The Same Monomer Fold Creates Dimers with Distinct Catalytic Properties. Structure, 14, 2006
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2F9W
| Structure of the type III CoaA from Pseudomonas aeruginosa | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, PANTOTHENOIC ACID, ... | Authors: | Leonardi, R, Yun, M.K, Chohnan, S, White, S.W, Rock, C.O, Jackowski, S. | Deposit date: | 2005-12-06 | Release date: | 2006-08-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Prokaryotic Type II and Type III Pantothenate Kinases: The Same Monomer Fold Creates Dimers with Distinct Catalytic Properties. Structure, 14, 2006
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