8PL6
 
 | | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 7. | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, methyl (2~{S},4~{S})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate | | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | | Deposit date: | 2023-06-27 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
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6G2P
 | | Crystal structure of L-tryptophan oxidase VioA from Chromobacterium violaceum in complex with L-tryptophan | | Descriptor: | 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent L-tryptophan oxidase VioA, ... | | Authors: | Lai, H.E, Morgan, M, Moore, S, Freemont, P. | | Deposit date: | 2018-03-23 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A semi-synthetic strategy for derivatization of the violacein natural product scaffold
Biorxiv, 2018
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6G30
 | | Crystal structure of the p97 D2 domain in a helical split-washer conformation | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ... | | Authors: | Stach, L, Morgan, R.M.L, Freemont, P.S. | | Deposit date: | 2018-03-23 | | Release date: | 2019-04-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.418 Å) | | Cite: | Crystal structure of the catalytic D2 domain of the AAA+ ATPase p97 reveals a putative helical split-washer-type mechanism for substrate unfolding.
Febs Lett., 594, 2020
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1SJK
 | | A DUPLEX DNA WITH AN ABASIC SITE IN A DA TRACT, ALPHA FORM, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | DNA (5'-D(*CP*GP*CP*AP*AP*AP*AP*AP*TP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*AP*TP*TP*ORPP*TP*TP*GP*CP*G)-3') | | Authors: | Wang, K.Y, Parker, S.A, Goljer, I, Bolton, P.H. | | Deposit date: | 1997-07-22 | | Release date: | 1997-12-03 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a duplex DNA with an abasic site in a dA tract.
Biochemistry, 36, 1997
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5SXR
 | | Crystal structure of B. pseudomallei KatG with NAD bound | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Loewen, P.C. | | Deposit date: | 2016-08-10 | | Release date: | 2016-09-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Isonicotinic acid hydrazide conversion to Isonicotinyl-NAD by catalase-peroxidases.
J. Biol. Chem., 285, 2010
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4X3I
 | | The crystal structure of Arc N-lobe complexed with CAMK2A fragment | | Descriptor: | Activity-regulated cytoskeleton-associated protein, CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE II SUBUNIT ALPHA | | Authors: | Zhang, W, Ward, M, Leahy, D, Worley, P. | | Deposit date: | 2014-11-30 | | Release date: | 2015-06-03 | | Last modified: | 2017-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis of arc binding to synaptic proteins: implications for cognitive disease.
Neuron, 86, 2015
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4GQM
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4LWQ
 | | Crystal structure of native peptidyl t-RNA hydrolase from Acinetobacter baumannii at 1.38A resolution | | Descriptor: | GLYCEROL, Peptidyl-tRNA hydrolase | | Authors: | Kaushik, S, Singh, N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2013-07-28 | | Release date: | 2013-08-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Crystal structure of native peptidyl t-RNA hydrolase from Acinetobacter baumannii at 1.38A resolution
To be Published
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4LRE
 | | Phosphopentomutase soaked with 2,3-dideoxyribose 5-phosphate | | Descriptor: | 2,3-dideoxy-5-O-phosphono-alpha-D-ribofuranose, MANGANESE (II) ION, Phosphopentomutase | | Authors: | Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O. | | Deposit date: | 2013-07-19 | | Release date: | 2013-07-31 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014
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5IH6
 | | Human Casein Kinase 1 isoform delta (kinase domain) in complex with Epiblastin A derivative | | Descriptor: | 6-(3-bromophenyl)pteridine-2,4,7-triamine, Casein kinase I isoform delta, S,R MESO-TARTARIC ACID, ... | | Authors: | Ursu, A, Illich, D.J, Takemoto, Y, Porfetye, A.T, Zhang, M, Brockmeyer, A, Janning, P, Watanabe, N, Osada, H, Vetter, I.R, Ziegler, S, Schoeler, H.R, Waldmann, H. | | Deposit date: | 2016-02-29 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Epiblastin A Induces Reprogramming of Epiblast Stem Cells Into Embryonic Stem Cells by Inhibition of Casein Kinase 1.
Cell Chem Biol, 23, 2016
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6MN3
 | | Crystal structure of aminoglycoside acetyltransferase AAC(3)-IVa, apoenzyme | | Descriptor: | Aminoglycoside N(3)-acetyltransferase, AAC(3)-IVa, CHLORIDE ION, ... | | Authors: | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-10-01 | | Release date: | 2018-10-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
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8PLG
 | | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 17. | | Descriptor: | 2-(4-ethoxyphenyl)ethanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | | Deposit date: | 2023-06-27 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
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3VRI
 | | HLA-B*57:01-RVAQLENVYI in complex with abacavir | | Descriptor: | 10-mer peptide, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Vivian, J.P, Illing, P.T, McCluskey, J, Rossjohn, J. | | Deposit date: | 2012-04-11 | | Release date: | 2012-05-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Immune self-reactivity triggered by drug-modified HLA-peptide repertoire
Nature, 486, 2012
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6G2X
 | | Crystal structure of the p97 D2 domain in a helical split-washer conformation | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ... | | Authors: | Stach, L, Morgan, R.M.L, Freemont, P.S. | | Deposit date: | 2018-03-23 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.078 Å) | | Cite: | Crystal structure of the catalytic D2 domain of the AAA+ ATPase p97 reveals a putative helical split-washer-type mechanism for substrate unfolding.
Febs Lett., 594, 2020
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4LTL
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2UXX
 | | Human LSD1 Histone Demethylase-CoREST in complex with an FAD- tranylcypromine adduct | | Descriptor: | CHLORIDE ION, FAD-trans-2-Phenylcyclopropylamine Adduct, GLYCEROL, ... | | Authors: | Yang, M, Culhane, J.C, Machius, M, Cole, P.A, Yu, H. | | Deposit date: | 2007-03-30 | | Release date: | 2007-08-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Structural Basis for the Inhibition of the Lsd1 Histone Demethylase by the Antidepressant Trans-2-Phenylcyclopropylamine.
Biochemistry, 46, 2007
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3VK5
 | | Crystal structure of MoeO5 in complex with its product FPG | | Descriptor: | (2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid, MAGNESIUM ION, MoeO5 | | Authors: | Ren, F, Ko, T.-P, Huang, C.-H, Guo, R.-T. | | Deposit date: | 2011-11-08 | | Release date: | 2012-05-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Insights into the mechanism of the antibiotic-synthesizing enzyme MoeO5 from crystal structures of different complexes
Angew.Chem.Int.Ed.Engl., 51, 2012
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7KE6
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4HGA
 | | Structure of the variant histone H3.3-H4 heterodimer in complex with its chaperone DAXX | | Descriptor: | Death domain-associated protein 6, Histone H3.3, Histone H4, ... | | Authors: | Liu, C.P, Xiong, C.Y, Wang, M.Z, Yu, Z.L, Yang, N, Chen, P, Zhang, Z.G, Li, G.H, Xu, R.M. | | Deposit date: | 2012-10-07 | | Release date: | 2012-11-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.799 Å) | | Cite: | Structure of the variant histone H3.3-H4 heterodimer in complex with its chaperone DAXX.
Nat.Struct.Mol.Biol., 19, 2012
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4XBU
 | | In vitro Crystal Structure of PAK4 in complex with Inka peptide | | Descriptor: | Protein FAM212A, Serine/threonine-protein kinase PAK 4 | | Authors: | Baskaran, Y, Ang, K.C, Anekal, P.V, Chan, W.L, Grimes, J.M, Manser, E, Robinson, R.C. | | Deposit date: | 2014-12-17 | | Release date: | 2015-12-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | An in cellulo-derived structure of PAK4 in complex with its inhibitor Inka1
Nat Commun, 6, 2015
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8PLH
 | | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 18. | | Descriptor: | 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | | Deposit date: | 2023-06-27 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni.
Sci Rep, 14, 2024
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1EJ8
 | | CRYSTAL STRUCTURE OF DOMAIN 2 OF THE YEAST COPPER CHAPERONE FOR SUPEROXIDE DISMUTASE (LYS7) AT 1.55 A RESOLUTION | | Descriptor: | CALCIUM ION, LYS7 | | Authors: | Hall, L.T, Sanchez, R.J, Holloway, S.P, Zhu, H, Stine, J.E, Lyons, T.J, Demeler, B, Schirf, V, Hansen, J.C, Nersissian, A.M, Valentine, J.S, Hart, P.J. | | Deposit date: | 2000-03-01 | | Release date: | 2000-04-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | X-ray crystallographic and analytical ultracentrifugation analyses of truncated and full-length yeast copper chaperones for SOD (LYS7): a dimer-dimer model of LYS7-SOD association and copper delivery.
Biochemistry, 39, 2000
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2JD6
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3VPP
 | | Crystal Structure of the Human CLEC9A C-type Lectin-Like Domain | | Descriptor: | C-type lectin domain family 9 member A, CALCIUM ION | | Authors: | Czabotar, P.E, Zhang, J.G, Policheni, A.N, Shortman, K, Lahoud, M.H, Colman, P.M. | | Deposit date: | 2012-03-07 | | Release date: | 2012-04-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.642 Å) | | Cite: | The dendritic cell receptor Clec9A binds damaged cells via exposed actin filaments.
Immunity, 36, 2012
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2IZT
 | | Structure of casein kinase gamma 3 in complex with inhibitor | | Descriptor: | CASEIN KINASE I ISOFORM GAMMA-3, CHLORIDE ION, N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE | | Authors: | Bunkoczi, G, Salah, E, Rellos, P, Das, S, Fedorov, O, Savitsky, P, Debreczeni, J.E, Gileadi, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, von Delft, F, Knapp, S. | | Deposit date: | 2006-07-26 | | Release date: | 2006-08-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inhibitor Binding by Casein Kinases
To be Published
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