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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6XU1
 | | Crystal structure of tetrameric human H215A-SAMHD1 (residues 109-626) with GTP, 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: | 2020-01-17 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
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6YOM
 | | Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dATP, dCMPNPP, Mn 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.G, Kelly, G, Taylor, I.A. | | Deposit date: | 2020-04-14 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
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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: | 2024-01-24 | | 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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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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5HOO
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5NW9
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5NWA
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4KJI
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4KRW
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8QXM
 | | Cryo-EM structure of tetrameric human SAMHD1 State III - Relaxed | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | | Deposit date: | 2023-10-24 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
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8QXN
 | | Cryo-EM structure of tetrameric human SAMHD1 State IV - Depleted relaxed | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | | Deposit date: | 2023-10-24 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
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8QXJ
 | | Cryo-EM structure of tetrameric human SAMHD1 with dApNHpp | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ... | | Authors: | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | | Deposit date: | 2023-10-24 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.65 Å) | | Cite: | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
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8QXL
 | | Cryo-EM structure of tetrameric human SAMHD1 State II - Hemi-relaxed | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, ... | | Authors: | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | | Deposit date: | 2023-10-24 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.82 Å) | | Cite: | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
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8QXK
 | | Cryo-EM structure of tetrameric human SAMHD1 State I - Tense | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | | Deposit date: | 2023-10-24 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
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8QXO
 | | Cryo-EM structure of tetrameric human SAMHD1 State V - Depleted relaxed | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | | Deposit date: | 2023-10-24 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.43 Å) | | Cite: | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
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4MDB
 | | Structure of Mos1 transposase catalytic domain and Raltegravir with Mg | | Descriptor: | MAGNESIUM ION, Mariner Mos1 transposase, N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di hydropyrimidine-4-carboxamide | | Authors: | Richardson, J.M. | | Deposit date: | 2013-08-22 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis of Mos1 Transposase Inhibition by the Anti-retroviral Drug Raltegravir.
Acs Chem.Biol., 9, 2014
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4MDA
 | | Structure of Mos1 transposase catalytic domain and Raltegravir with Mn | | Descriptor: | MANGANESE (II) ION, Mariner Mos1 transposase, N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di hydropyrimidine-4-carboxamide | | Authors: | Richardson, J.M. | | Deposit date: | 2013-08-22 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis of Mos1 Transposase Inhibition by the Anti-retroviral Drug Raltegravir.
Acs Chem.Biol., 9, 2014
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