6VG5
 
 | | DengueV-2 Capsid ST148 inhibitor Complex | | Descriptor: | 3-amino-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide, Capsid premembrane protein, GLYCEROL, ... | | Authors: | White, M, Xia, H, Shi, P. | | Deposit date: | 2020-01-07 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A cocrystal structure of dengue capsid protein in complex of inhibitor.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6VSO
 | | DengueV-2 Capsid Structure | | Descriptor: | Capsid premembrane protein, GLYCEROL, NITRATE ION | | Authors: | White, M, Xia, H, Shi, P. | | Deposit date: | 2020-02-11 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.001 Å) | | Cite: | A cocrystal structure of dengue capsid protein in complex of inhibitor.
Proc.Natl.Acad.Sci.USA, 117, 2020
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4XID
 | | AntpHD with 15bp DNA duplex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*CP*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), ... | | Authors: | White, M.A, Zandarashvili, L, Iwahara, J. | | Deposit date: | 2015-01-06 | | Release date: | 2015-11-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Entropic Enhancement of Protein-DNA Affinity by Oxygen-to-Sulfur Substitution in DNA Phosphate.
Biophys.J., 109, 2015
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4XIC
 | | ANTPHD WITH 15BP di-thioate modified DNA DUPLEX | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*(C2S)P*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), ... | | Authors: | White, M.A, Zandarashvili, L, Iwahara, J. | | Deposit date: | 2015-01-06 | | Release date: | 2015-11-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Entropic Enhancement of Protein-DNA Affinity by Oxygen-to-Sulfur Substitution in DNA Phosphate.
Biophys.J., 109, 2015
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5JLW
 | | AntpHD with 15bp DNA duplex R-monothioated at Cytidine-8 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*(C7R)P*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), ... | | Authors: | White, M.A, Zandarashvili, L, Iwahara, J, Nguyen, D. | | Deposit date: | 2016-04-27 | | Release date: | 2016-06-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.088 Å) | | Cite: | Stereospecific Effects of Oxygen-to-Sulfur Substitution in DNA Phosphate on Ion Pair Dynamics and Protein-DNA Affinity.
Chembiochem, 17, 2016
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5JLX
 | | AntpHD with 15bp DNA duplex S-monothioated at Cytidine-8 | | Descriptor: | DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*(C7S)P*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), Homeotic protein antennapedia, ... | | Authors: | White, M.A, Zandarashvili, L, Iwahara, J, Nguyen, D. | | Deposit date: | 2016-04-27 | | Release date: | 2016-06-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.748 Å) | | Cite: | Stereospecific Effects of Oxygen-to-Sulfur Substitution in DNA Phosphate on Ion Pair Dynamics and Protein-DNA Affinity.
Chembiochem, 17, 2016
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6S7E
 | | Plant Cysteine Oxidase PCO4 from Arabidopsis thaliana (using PEG 3350 and NaF as precipitants) | | Descriptor: | FE (III) ION, Plant cysteine oxidase 4 | | Authors: | White, M.D, Levy, C.W, Flashman, E, McDonough, M.A. | | Deposit date: | 2019-07-04 | | Release date: | 2020-07-22 | | Last modified: | 2020-12-23 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structures of Arabidopsis thaliana oxygen-sensing plant cysteine oxidases 4 and 5 enable targeted manipulation of their activity.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6S0P
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6SBP
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5M1B
 | | Crystal structure of C-terminally tagged apo-UbiD from E. coli | | Descriptor: | 3-octaprenyl-4-hydroxybenzoate carboxy-lyase | | Authors: | White, M, Leys, D. | | Deposit date: | 2016-10-07 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Oxidative Maturation and Structural Characterization of Prenylated FMN Binding by UbiD, a Decarboxylase Involved in Bacterial Ubiquinone Biosynthesis.
J. Biol. Chem., 292, 2017
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4ZAC
 | | Structure of S. cerevisiae Fdc1 with the prenylated-flavin cofactor in the iminium form. | | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ... | | Authors: | White, M.D, Leys, D. | | Deposit date: | 2015-04-13 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition.
Nature, 522, 2015
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4X9J
 | | EGR-1 with Doubly Methylated DNA | | Descriptor: | DNA (5'-D(*AP*GP*(5CM)P*GP*TP*GP*GP*GP*(5CM)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*(5CM)P*GP*C)-3'), Early growth response protein 1, ... | | Authors: | White, M.A, Zandarashvili, L, Iwahara, J. | | Deposit date: | 2014-12-11 | | Release date: | 2015-05-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.412 Å) | | Cite: | Structural impact of complete CpG methylation within target DNA on specific complex formation of the inducible transcription factor Egr-1.
Febs Lett., 589, 2015
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4ZAF
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4ZAY
 | | Structure of UbiX E49Q in complex with a covalent adduct between dimethylallyl monophosphate and reduced FMN | | Descriptor: | 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | White, M.D, Leys, D. | | Deposit date: | 2015-04-14 | | Release date: | 2015-06-17 | | Last modified: | 2015-07-01 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis.
Nature, 522, 2015
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4ZAG
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4ZAZ
 | | Structure of UbiX Y169F in complex with a covalent adduct formed between reduced FMN and dimethylallyl monophosphate | | Descriptor: | 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol, PHOSPHATE ION, SODIUM ION, ... | | Authors: | White, M.D, Leys, D. | | Deposit date: | 2015-04-14 | | Release date: | 2015-06-17 | | Last modified: | 2015-07-01 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis.
Nature, 522, 2015
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4ZAN
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4ZAX
 | | Structure of UbiX in complex with oxidised prenylated FMN (radical) | | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-yl)-D-ribitol, PHOSPHATE ION, THIOCYANATE ION, ... | | Authors: | White, M.D, Leys, D. | | Deposit date: | 2015-04-14 | | Release date: | 2015-06-17 | | Last modified: | 2015-07-01 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis.
Nature, 522, 2015
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4ZAV
 | | UbiX in complex with a covalent adduct between dimethylallyl monophosphate and reduced FMN | | Descriptor: | 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol, PHOSPHATE ION, SODIUM ION, ... | | Authors: | White, M.D, Leys, D. | | Deposit date: | 2015-04-14 | | Release date: | 2015-06-17 | | Last modified: | 2015-07-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis.
Nature, 522, 2015
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4ZAL
 | | Structure of UbiX E49Q mutant in complex with reduced FMN and dimethylallyl monophosphate | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Dimethylallyl monophosphate, THIOCYANATE ION, ... | | Authors: | White, M.D, Leys, D. | | Deposit date: | 2015-04-13 | | Release date: | 2015-06-17 | | Last modified: | 2015-07-01 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis.
Nature, 522, 2015
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4ZAW
 | | Structure of UbiX in complex with reduced prenylated FMN | | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-yl)-D-ribitol, PHOSPHATE ION, Probable aromatic acid decarboxylase, ... | | Authors: | White, M.D, Leys, D. | | Deposit date: | 2015-04-14 | | Release date: | 2015-06-17 | | Last modified: | 2015-07-01 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis.
Nature, 522, 2015
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2Q9F
 | | Crystal structure of human cytochrome P450 46A1 in complex with cholesterol-3-sulphate | | Descriptor: | CHOLEST-5-EN-3-YL HYDROGEN SULFATE, Cytochrome P450 46A1, GLYCEROL, ... | | Authors: | White, M.A, Mast, N.V, Johnson, E.F, Stout, C.D, Pikuleva, I.A. | | Deposit date: | 2007-06-12 | | Release date: | 2008-06-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of substrate-bound and substrate-free cytochrome P450 46A1, the principal cholesterol hydroxylase in the brain.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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2Q9G
 | | Crystal structure of human cytochrome P450 46A1 | | Descriptor: | Cytochrome P450 46A1, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | White, M.A, Mast, N.V, Johnson, E.F, Stout, C.D, Pikuleva, I.A. | | Deposit date: | 2007-06-12 | | Release date: | 2008-06-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of substrate-bound and substrate-free cytochrome P450 46A1, the principal cholesterol hydroxylase in the brain.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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4F7Z
 | | Conformational dynamics of exchange protein directly activated by cAMP | | Descriptor: | GLYCEROL, Rap guanine nucleotide exchange factor 4 | | Authors: | White, M.A, Tsalkova, T.N, Mei, F.C, Liu, T, Woods, V.L, Cheng, X. | | Deposit date: | 2012-05-16 | | Release date: | 2012-10-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural analyses of a constitutively active mutant of exchange protein directly activated by cAMP.
Plos One, 7, 2012
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3TEK
 | | ThermoDBP: a non-canonical single-stranded DNA binding protein with a novel structure and mechanism | | Descriptor: | ThermoDBP-single stranded DNA binding protein | | Authors: | White, M.F, Paytubi, S, Liu, H, Graham, S, McMahon, S.A, Naismith, J.H. | | Deposit date: | 2011-08-15 | | Release date: | 2011-11-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Displacement of the canonical single-stranded DNA-binding protein in the Thermoproteales.
Proc.Natl.Acad.Sci.USA, 109, 2012
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