2M41
 
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6TX0
 | | Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dAMPNPP and Mg | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ... | | Authors: | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A. | | Deposit date: | 2020-01-13 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
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6TXA
 | | Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dGMPNPP and Mg | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ... | | Authors: | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A, Kelly, G, Taylor, I.A. | | Deposit date: | 2020-01-13 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.853 Å) | | Cite: | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
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6TXE
 | | Crystal structure of tetrameric human wt-SAMHD1 (residues 109-626) with GTP, dATP, dTMPNPP and Mg | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A. | | Deposit date: | 2020-01-14 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
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6TXC
 | | Crystal structure of tetrameric human wt-SAMHD1 (residues 109-626) with GTP, dATP, dCMPNPP and Mg | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A, Kelly, G, Taylor, I.A. | | Deposit date: | 2020-01-14 | | Release date: | 2020-06-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
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6TXF
 | | Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dAMPNPP and Mn | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ... | | Authors: | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A. | | Deposit date: | 2020-01-14 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
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1SOY
 | | Solution structure of the bacterial frataxin orthologue, CyaY | | Descriptor: | CyaY protein | | Authors: | Nair, M, Adinolfi, S, Pastore, C, Kelly, G, Temussi, P, Pastore, A. | | Deposit date: | 2004-03-16 | | Release date: | 2004-11-23 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the Bacterial Frataxin Ortholog, CyaY; Mapping the Iron Binding Sites
Structure, 12, 2004
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2KFW
 | | Solution structure of full-length SlyD from E.coli | | Descriptor: | FKBP-type peptidyl-prolyl cis-trans isomerase slyD | | Authors: | Martino, L, He, Y, Hands-Taylor, K.L, Valentine, E.R, Kelly, G, Giancola, C, Conte, M.R. | | Deposit date: | 2009-02-28 | | Release date: | 2009-09-15 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | The interaction of the Escherichia coli protein SlyD with nickel ions illuminates the mechanism of regulation of its peptidyl-prolyl isomerase activity.
Febs J., 276, 2009
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2K8V
 | | Solution structure of Oxidised ERp18 | | Descriptor: | Thioredoxin domain-containing protein 12 | | Authors: | Rowe, M.L, Alanen, H.I, Ruddock, L.W, Kelly, G, Schmidt, J.M, Williamson, R.A, Howard, M.J. | | Deposit date: | 2008-09-25 | | Release date: | 2009-06-02 | | Last modified: | 2024-10-09 | | Method: | SOLUTION NMR | | Cite: | Solution structure and dynamics of ERp18, a small endoplasmic reticulum resident oxidoreductase .
Biochemistry, 48, 2009
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2KXH
 | | Solution structure of the first two RRM domains of FIR in the complex with FBP Nbox peptide | | Descriptor: | Poly(U)-binding-splicing factor PUF60, peptide of Far upstream element-binding protein 1 | | Authors: | Cukier, C.D, Ramos, A, Hollingworth, D, Diaz-Moreno, I, Kelly, G. | | Deposit date: | 2010-05-05 | | Release date: | 2010-08-18 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Molecular basis of FIR-mediated c-myc transcriptional control.
Nat.Struct.Mol.Biol., 17, 2010
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2L8K
 | | NMR Structure of the Arterivirus nonstructural protein 7 alpha (nsp7 alpha) | | Descriptor: | Non-structural protein 7 | | Authors: | Conte, M.R, Gaudin, C, Manolaridis, I, Tucker, P.W, Kelly, G. | | Deposit date: | 2011-01-19 | | Release date: | 2011-07-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure and Genetic Analysis of the Arterivirus Nonstructural Protein 7{alpha}.
J.Virol., 85, 2011
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2LFU
 | | The structure of a N. meningitides protein targeted for vaccine development | | Descriptor: | Gna2132 | | Authors: | Esposito, V, Musi, V, De Chiara, C, Kelly, G, Veggi, D, Pizza, M, Pastore, A. | | Deposit date: | 2011-07-15 | | Release date: | 2011-10-19 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of the C-terminal Domain of Neisseria Heparin Binding Antigen (NHBA), One of the Main Antigens of a Novel Vaccine against Neisseria meningitidis.
J.Biol.Chem., 286, 2011
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2MGP
 | | Structure of Plasmodium Yoelii Merozoite Surface Protein 1 - C-terminal Domain | | Descriptor: | Merozoite surface protein 1 | | Authors: | Curd, R.D, Birdsall, B, Kadekoppala, M, Ogun, S, Kelly, G, Holder, A.A. | | Deposit date: | 2013-11-03 | | Release date: | 2014-02-12 | | Last modified: | 2024-11-13 | | Method: | SOLUTION NMR | | Cite: | The structure of Plasmodium yoelii merozoite surface protein 119, antibody specificity and implications for malaria vaccine design
OPEN BIOLOGY, 4, 2014
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2MGR
 | | Structure of Plasmodium Yoelii Merozoite Surface Protein 1 - C-terminal Domain, E28K mutant | | Descriptor: | Merozoite surface protein 1 | | Authors: | Curd, R.D, Birdsall, B, Kadekoppala, M, Ogun, S, Kelly, G, Holder, A.A. | | Deposit date: | 2013-11-04 | | Release date: | 2014-02-12 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The structure of Plasmodium yoelii merozoite surface protein 119, antibody specificity and implications for malaria vaccine design
OPEN BIOLOGY, 4, 2014
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2L4C
 | | Solution Structure of the b domain of Human ERp27 | | Descriptor: | Endoplasmic reticulum resident protein 27 | | Authors: | Amin, N.T, Wallis, K, Rowe, M.L, Kelly, G, Frenkiel, T.A, Williamson, R.A, Howard, M.J, Freedman, R.B. | | Deposit date: | 2010-10-03 | | Release date: | 2010-11-10 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure and dynamics of the b domain of human ERp27
To be Published
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2KFU
 | | PknB-phosphorylated Rv1827 | | Descriptor: | Rv1827 pThr 22 | | Authors: | Smerdon, S.J, Nott, T.J, Kelly, G. | | Deposit date: | 2009-02-27 | | Release date: | 2009-06-16 | | Last modified: | 2024-11-06 | | Method: | SOLUTION NMR | | Cite: | An intramolecular switch regulates phosphoindependent FHA domain interactions in Mycobacterium tuberculosis.
Sci.Signal., 2, 2009
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2KXF
 | | Solution structure of the first two RRM domains of FBP-interacting repressor (FIR) | | Descriptor: | Poly(U)-binding-splicing factor PUF60 | | Authors: | Cukier, C.D, Ramos, A, Hollingworth, D, Diaz-Moreno, I, Kelly, G. | | Deposit date: | 2010-05-04 | | Release date: | 2010-08-18 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Molecular basis of FIR-mediated c-myc transcriptional control.
Nat.Struct.Mol.Biol., 17, 2010
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2LNV
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2NPR
 | | Structural Studies on Plasmodium vivax Merozoite Surface Protein-1 | | Descriptor: | Merozoite surface protein 1 | | Authors: | Babon, J.J, Morgan, W.D, Kelly, G, Eccleston, J.F, Feeney, J, Holder, A.A. | | Deposit date: | 2006-10-29 | | Release date: | 2007-03-20 | | Last modified: | 2024-11-13 | | Method: | SOLUTION NMR | | Cite: | Structural studies on Plasmodium vivax merozoite surface protein-1
Mol.Biochem.Parasitol., 153, 2007
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7ZUD
 | | Crystal structure of HIV-1 capsid IP6-CPSF6 complex | | Descriptor: | Capsid protein p24, Cleavage and polyadenylation specificity factor subunit 6, INOSITOL HEXAKISPHOSPHATE | | Authors: | Nicastro, G, Taylor, I.A. | | Deposit date: | 2022-05-12 | | Release date: | 2022-07-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | CP-MAS and Solution NMR Studies of Allosteric Communication in CA-assemblies of HIV-1.
J.Mol.Biol., 434, 2022
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7A5Y
 | | Crystal structure of tetrameric human H215A-SAMHD1 (residues 109-626) with Rp-dGTP-alphaS (T8T) and Mg | | Descriptor: | 2'-deoxyguanosine-5'-O-(1-thiotriphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ... | | Authors: | Morris, E.R, Kunzelmann, S, Caswell, S.J, Purkiss, A, Taylor, I.A. | | Deposit date: | 2020-08-24 | | Release date: | 2021-05-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Probing the Catalytic Mechanism and Inhibition of SAMHD1 Using the Differential Properties of R p - and S p -dNTP alpha S Diastereomers.
Biochemistry, 60, 2021
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8B8H
 | | Structure of DCS-resistant variant D322N of alanine racemase from M. tuberculosis in complex with DCS | | Descriptor: | (~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{R})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium, 1,2-ETHANEDIOL, Alanine racemase, ... | | Authors: | de Chiara, C, Prosser, G, Ogrodowicz, R.W, de Carvalho, L.P.S. | | Deposit date: | 2022-10-04 | | Release date: | 2023-04-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structure of the d-Cycloserine-Resistant Variant D322N of Alanine Racemase from Mycobacterium tuberculosis .
Acs Bio Med Chem Au, 3, 2023
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1YZB
 | | Solution structure of the Josephin domain of Ataxin-3 | | Descriptor: | Machado-Joseph disease protein 1 | | Authors: | Nicastro, G, Masino, L, Menon, R.P, Knowles, P.P, McDonald, N.Q, Pastore, A. | | Deposit date: | 2005-02-28 | | Release date: | 2005-07-05 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | The solution structure of the Josephin domain of ataxin-3: Structural determinants for molecular recognition
Proc.Natl.Acad.Sci.Usa, 102, 2005
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5E50
 | | APLF/XRCC4 complex | | Descriptor: | Aprataxin and PNK-like factor, MAGNESIUM ION, XRCC4 | | Authors: | Cherry, A.L, Smerdon, S.J. | | Deposit date: | 2015-10-07 | | Release date: | 2015-11-18 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.376 Å) | | Cite: | Versatility in phospho-dependent molecular recognition of the XRCC1 and XRCC4 DNA-damage scaffolds by aprataxin-family FHA domains.
DNA Repair (Amst.), 35, 2015
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8Q4E
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