7A5Y
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![BU of 7a5y by Molmil](/molmil-images/mine/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
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![BU of 6xu1 by Molmil](/molmil-images/mine/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
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![BU of 6yom by Molmil](/molmil-images/mine/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
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![BU of 6txa by Molmil](/molmil-images/mine/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
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![BU of 6txe by Molmil](/molmil-images/mine/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
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![BU of 6txc by Molmil](/molmil-images/mine/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
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![BU of 6txf by Molmil](/molmil-images/mine/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
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![BU of 6tx0 by Molmil](/molmil-images/mine/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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![BU of 5hoo by Molmil](/molmil-images/mine/5hoo) | |
5NW9
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![BU of 5nw9 by Molmil](/molmil-images/mine/5nw9) | |
5NWA
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![BU of 5nwa by Molmil](/molmil-images/mine/5nwa) | |
4KJI
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![BU of 4kji by Molmil](/molmil-images/mine/4kji) | |
4KRW
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![BU of 4krw by Molmil](/molmil-images/mine/4krw) | |
8QXM
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![BU of 8qxm by Molmil](/molmil-images/mine/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
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![BU of 8qxn by Molmil](/molmil-images/mine/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
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![BU of 8qxj by Molmil](/molmil-images/mine/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
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![BU of 8qxl by Molmil](/molmil-images/mine/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
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![BU of 8qxk by Molmil](/molmil-images/mine/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
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![BU of 8qxo by Molmil](/molmil-images/mine/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
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![BU of 4mdb by Molmil](/molmil-images/mine/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
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![BU of 4mda by Molmil](/molmil-images/mine/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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