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2HEK
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BU of 2hek by Molmil
Crystal structure of O67745, a hypothetical protein from Aquifex aeolicus at 2.0 A resolution.
Descriptor: BROMIDE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Oganesyan, V, Jancarik, J, Adams, P.D, Kim, R, Kim, S.H, Berkeley Structural Genomics Center (BSGC)
Deposit date:2006-06-21
Release date:2006-07-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Structure of O67745_AQUAE, a hypothetical protein from Aquifex aeolicus.
Acta Crystallogr.,Sect.F, 63, 2007
3NQW
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BU of 3nqw by Molmil
A metazoan ortholog of SpoT hydrolyzes ppGpp and plays a role in starvation responses
Descriptor: CG11900, MANGANESE (II) ION, SULFATE ION
Authors:Sun, D.W, Kim, H.Y, Kim, K.J, Jeon, Y.H, Chung, J.
Deposit date:2010-06-30
Release date:2010-09-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A metazoan ortholog of SpoT hydrolyzes ppGpp and functions in starvation responses
Nat.Struct.Mol.Biol., 17, 2010
7S2Y
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BU of 7s2y by Molmil
SAMHD1 HD domain bound to CNDAC
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 4-amino-1-{2-cyano-2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
Authors:Digianantonio, K.M, Xiong, Y.
Deposit date:2021-09-04
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Differences between intrinsic and acquired nucleoside analogue resistance in acute myeloid leukaemia cells.
J Exp Clin Cancer Res, 40, 2021
6TXF
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BU of 6txf by Molmil
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
7LTT
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BU of 7ltt by Molmil
SAMHD1(113-626) H206R D207N R366C
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, MAGNESIUM ION
Authors:Temple, J.T, Bowen, N.E.
Deposit date:2021-02-20
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional characterization explains loss of dNTPase activity of the cancer-specific R366C/H mutant SAMHD1 proteins.
J.Biol.Chem., 297, 2021
7LU5
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BU of 7lu5 by Molmil
SAMHD1(113-626) H206R D207N R366H
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1
Authors:Temple, J.T, Bowen, N.E.
Deposit date:2021-02-20
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.57 Å)
Cite:Structural and functional characterization explains loss of dNTPase activity of the cancer-specific R366C/H mutant SAMHD1 proteins.
J.Biol.Chem., 297, 2021
4X9E
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BU of 4x9e by Molmil
DEOXYGUANOSINETRIPHOSPHATE TRIPHOSPHOHYDROLASE from Escherichia coli with two DNA effector molecules
Descriptor: Deoxyguanosinetriphosphate triphosphohydrolase, MAGNESIUM ION, RNA (5'-R(P*CP*CP*C)-3')
Authors:Singh, D, Gawel, D, Itsko, M, Krahn, J.M, London, R.E, Schaaper, R.M.
Deposit date:2014-12-11
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of Escherichia coli dGTP Triphosphohydrolase: A HEXAMERIC ENZYME WITH DNA EFFECTOR MOLECULES.
J.Biol.Chem., 290, 2015
3GW7
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BU of 3gw7 by Molmil
Crystal structure of a metal-dependent phosphohydrolase with conserved HD domain (yedJ) from Escherichia coli in complex with nickel ions. Northeast Structural Genomics Consortium Target ER63
Descriptor: NICKEL (II) ION, Uncharacterized protein yedJ
Authors:Forouhar, F, Abashidze, M, Seetharaman, J, Janjua, J, Xiao, R, Cunningham, K, Ma, L, Zhao, L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-03-31
Release date:2009-04-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of a metal-dependent phosphohydrolase with conserved HD domain (yedJ) from Escherichia coli in complex with nickel ions. Northeast Structural Genomics Consortium Target ER63
To be Published
8GB2
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BU of 8gb2 by Molmil
Crystal structure of Apo-SAMHD1
Descriptor: Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION
Authors:Egleston, M, Dong, L, Howlader, A.H, Bhat, S, Orris, B, Bianchet, M.A, Greenberg, M.M, Stivers, J.T.
Deposit date:2023-02-24
Release date:2023-06-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Deoxyguanosine-Linked Bifunctional Inhibitor of SAMHD1 dNTPase Activity and Nucleic Acid Binding.
Acs Chem.Biol., 18, 2023
8GB1
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BU of 8gb1 by Molmil
Crystal structure of SAMHD1 dimer bound to deoxyguanosine linked inhibitor
Descriptor: 5'-O-[(R)-(3-{[(1M)-3'-bromo[1,1'-biphenyl]-3-carbonyl]amino}propoxy)(hydroxy)phosphoryl]-2'-deoxyguanosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION
Authors:Egleston, M, Dong, L, Howlader, A.H, Bhat, S, Orris, B, Bianchet, M.A, Greenberg, M.M, Stivers, J.T.
Deposit date:2023-02-24
Release date:2023-06-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Deoxyguanosine-Linked Bifunctional Inhibitor of SAMHD1 dNTPase Activity and Nucleic Acid Binding.
Acs Chem.Biol., 18, 2023
4BZC
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BU of 4bzc by Molmil
Crystal structure of the tetrameric dGTP-bound wild type SAMHD1 catalytic core
Descriptor: 2'-deoxyguanosine-5'-O-(1-thiotriphosphate), DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, MAGNESIUM ION, ...
Authors:Ji, X, Yang, H, Wu, Y, Yan, J, Mehrens, J, DeLucia, M, Hao, C, Gronenborn, A.M, Skowronski, J, Ahn, J, Xiong, Y.
Deposit date:2013-07-25
Release date:2013-10-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Mechanism of Allosteric Activation of Samhd1 by Dgtp
Nat.Struct.Mol.Biol., 20, 2013
4BZB
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BU of 4bzb by Molmil
Crystal structure of the tetrameric dGTP-bound SAMHD1 mutant catalytic core
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, MAGNESIUM ION
Authors:Ji, X, Yang, H, Wu, Y, Yan, J, Mehrens, J, DeLucia, M, Hao, C, Gronenborn, A.M, Skowronski, J, Ahn, J, Xiong, Y.
Deposit date:2013-07-25
Release date:2013-10-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Mechanism of Allosteric Activation of Samhd1 by Dgtp
Nat.Struct.Mol.Biol., 20, 2013
1YNB
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BU of 1ynb by Molmil
crystal structure of genomics APC5600
Descriptor: hypothetical protein AF1432
Authors:Dong, A, Skarina, T, Savchenko, A, Pai, E.F, Joachimiak, A, Edwards, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2005-01-24
Release date:2005-03-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structure of genomics AF1432 by Sulfur SAD methods
To be Published
1YOY
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BU of 1yoy by Molmil
Predicted coding region AF1432 from Archaeoglobus Fulgidus
Descriptor: hypothetical protein AF1432
Authors:Midwest Center for Structural Genomics (MCSG), Lunin, V.V, Savchenko, A, Joachimiak, A.
Deposit date:2005-01-28
Release date:2005-02-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of predicted coding region AF1432 from Archaeoglobus Fulgidus
To be Published
8WMY
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BU of 8wmy by Molmil
Crystal structure of YqeK in complex with MG and ADP.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, bis(5'-nucleosyl)-tetraphosphatase (symmetrical)
Authors:Mo, X.
Deposit date:2023-10-05
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Molecular Mechanism of Ap4A Hydrolysis by YqeK of Staphylococcus pyogenes.
To be published
4XDS
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BU of 4xds by Molmil
Deoxyguanosinetriphosphate Triphosphohydrolase from Escherichia coli with Nickel
Descriptor: Deoxyguanosinetriphosphate triphosphohydrolase, NICKEL (II) ION, SULFATE ION
Authors:Singh, D, Gawel, D, Itsko, M, Krahn, J.M, London, R.E, Schaaper, R.M.
Deposit date:2014-12-19
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.354 Å)
Cite:Structure of Escherichia coli dGTP Triphosphohydrolase: A HEXAMERIC ENZYME WITH DNA EFFECTOR MOLECULES.
J.Biol.Chem., 290, 2015
4ZWG
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BU of 4zwg by Molmil
Crystal structure of the GTP-dATP-bound catalytic core of SAMHD1 phosphomimetic T592E mutant
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Tang, C, Ji, X, Xiong, Y.
Deposit date:2015-05-19
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Impaired dNTPase Activity of SAMHD1 by Phosphomimetic Mutation of Thr-592.
J.Biol.Chem., 290, 2015
4ZWE
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BU of 4zwe by Molmil
Crystal structure of the dGTP-bound catalytic core of SAMHD1 T592V mutant
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, MAGNESIUM ION
Authors:Tang, C, Ji, X, Xiong, Y.
Deposit date:2015-05-19
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Impaired dNTPase Activity of SAMHD1 by Phosphomimetic Mutation of Thr-592.
J.Biol.Chem., 290, 2015
2CQZ
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BU of 2cqz by Molmil
Crystal Structure of PH0347 protein from Pyrococcus horikoshii OT3
Descriptor: 177aa long hypothetical protein, NICKEL (II) ION
Authors:Lokanath, N.K, Terao, Y, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-05-20
Release date:2006-08-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of PH0347 protein from Pyrococcus horikoshii OT3
To be Published
5AO2
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BU of 5ao2 by Molmil
Crystal structure of human SAMHD1 (amino acid residues 115-583) R164A variant bound to dGTP
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, FE (III) ION
Authors:Schwefel, D, Taylor, I.A.
Deposit date:2015-09-09
Release date:2015-10-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.966 Å)
Cite:Phospho-Dependent Regulation of Samhd1 Oligomerisation Couples Catalysis and Restriction.
Plos Pathog., 11, 2015
5AO4
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BU of 5ao4 by Molmil
Crystal structure of in vitro phosphorylated human SAMHD1 (amino acid residues 115-626) bound to GTP
Descriptor: DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, FE (III) ION, GUANOSINE-5'-TRIPHOSPHATE
Authors:Arnold, L.H, Schwefel, D, Taylor, I.A.
Deposit date:2015-09-09
Release date:2015-10-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Phospho-Dependent Regulation of Samhd1 Oligomerisation Couples Catalysis and Restriction.
Plos Pathog., 11, 2015
5AO1
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BU of 5ao1 by Molmil
Crystal structure of human SAMHD1 (amino acid residues 115-583) bound to ddGTP
Descriptor: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, FE (III) ION, ...
Authors:Schwefel, D, Taylor, I.A.
Deposit date:2015-09-09
Release date:2015-10-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.545 Å)
Cite:Phospho-Dependent Regulation of Samhd1 Oligomerisation Couples Catalysis and Restriction.
Plos Pathog., 11, 2015
5AO3
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BU of 5ao3 by Molmil
Crystal structure of human SAMHD1 (amino acid residues 115-626) bound to GTP
Descriptor: DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, FE (III) ION, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Schwefel, D, Taylor, I.A.
Deposit date:2015-09-09
Release date:2016-04-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.004 Å)
Cite:Phospho-Dependent Regulation of Samhd1 Oligomerisation Couples Catalysis and Restriction.
Plos Pathog., 11, 2015
3B57
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BU of 3b57 by Molmil
Crystal structure of the Lin1889 protein (Q92AN1) from Listeria innocua. Northeast Structural Consortium target LkR65
Descriptor: Lin1889 protein, MAGNESIUM ION
Authors:Kuzin, A.P, Abashidze, M, Seetharaman, J, Benach, J, Forouhar, F, Vorobiev, S.M, Wang, H, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-10-25
Release date:2007-11-06
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of the Lin1889 protein (Q92AN1) from Listeria innocua.
To be Published
5TK7
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BU of 5tk7 by Molmil
Structure of the HD-domain phosphohydrolase OxsA with Oxetanocin-A triphosphate bound
Descriptor: MAGNESIUM ION, OxsA protein, [[(2~{S},3~{R},4~{R})-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Authors:Bridwell-Rabb, J, Drennan, C.L.
Deposit date:2016-10-06
Release date:2016-11-16
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:An HD domain phosphohydrolase active site tailored for oxetanocin-A biosynthesis.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016

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