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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
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
6PWY
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BU of 6pwy by Molmil
Structure of C. elegans ZK177.8, SAMHD1 ortholog
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Lim, C.S, Maehigashi, T, Wade, L.R, Bowen, N, Knecht, K, Xiong, Y, Kim, B.
Deposit date:2019-07-24
Release date:2020-07-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:ZK177.8 of Caenorhabditis elegans: Aicardi-Goutieres Syndrome SAMHD1 Ortholog
To Be Published
7W1F
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BU of 7w1f by Molmil
Crystal structure of the dNTP triphosphohydrolase PA1124 from Pseudomonas aeruginosa
Descriptor: NICKEL (II) ION, Probable deoxyguanosinetriphosphate triphosphohydrolase
Authors:Oh, H.B, Song, W.S, Lee, K.C, Park, S.C, Yoon, S.I.
Deposit date:2021-11-19
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural analysis of the dNTP triphosphohydrolase PA1124 from Pseudomonas aeruginosa.
Biochem.Biophys.Res.Commun., 589, 2022
2QGS
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BU of 2qgs by Molmil
Crystal structure of SE1688 protein from Staphylococcus epidermidis. Northeast Structural Genomics Consortium target SeR89
Descriptor: Protein SE1688, ZINC ION
Authors:Forouhar, F, Su, M, Benach, J, Seetharaman, J, Chen, C.X, Fang, Y, Cunningham, K, Owen, L, 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:2007-06-29
Release date:2007-07-17
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of SE1688 protein from Staphylococcus epidermidis.
To be Published
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
5TKA
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BU of 5tka by Molmil
Structure of the HD-domain phosphohydrolase OxsA
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, OxsA protein
Authors:Bridwell-Rabb, J, Drennan, C.L.
Deposit date:2016-10-06
Release date:2016-11-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.048 Å)
Cite:An HD domain phosphohydrolase active site tailored for oxetanocin-A biosynthesis.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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
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
5YOX
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BU of 5yox by Molmil
HD domain-containing protein YGK1(YGL101W)
Descriptor: HD domain-containing protein YGL101W, ZINC ION
Authors:Yang, J, Wang, F, Gao, Z, Zhou, K, Liu, Q.
Deposit date:2017-10-31
Release date:2018-11-21
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:HD domain-containing protein YGK1(YGL101W)
To Be Published
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
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
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
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
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
3U1N
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BU of 3u1n by Molmil
Structure of the catalytic core of human SAMHD1
Descriptor: PHOSPHATE ION, SAM domain and HD domain-containing protein 1, ZINC ION
Authors:Goldstone, D.C, Ennis-Adeniran, V, Walker, P.A, Haire, L.F, Webb, M, Taylor, I.A.
Deposit date:2011-09-30
Release date:2011-11-16
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:HIV-1 restriction factor SAMHD1 is a deoxynucleoside triphosphate triphosphohydrolase
Nature, 480, 2011
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
3BG2
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BU of 3bg2 by Molmil
Crystal structure of deoxyguanosinetriphosphate triphosphohydrolase from Flavobacterium sp. MED217
Descriptor: DGTP triphosphohydrolase
Authors:Fedorov, A.A, Fedorov, E.V, Toro, R, Meyer, A.J, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-11-25
Release date:2007-12-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of the deoxyguanosinetriphosphate triphosphohydrolase from Flavobacterium sp. MED217.
To be Published
5YHW
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BU of 5yhw by Molmil
Crystal structure of Pig SAMHD1
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, MAGNESIUM ION
Authors:Qin, X.H, Kong, J.
Deposit date:2017-09-30
Release date:2018-10-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural characterization and directed modification of Sus scrofa SAMHD1 reveal the mechanism underlying deoxynucleotide regulation.
Febs J., 286, 2019
6YOM
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BU of 6yom by Molmil
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
3DJB
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BU of 3djb by Molmil
Crystal structure of a HD-superfamily hydrolase (BT9727_1981) from Bacillus thuringiensis, Northeast Structural Genomics Consortium Target BuR114
Descriptor: Hydrolase, HD family, MAGNESIUM ION
Authors:Forouhar, F, Su, M, Seetharaman, J, Vorobiev, S.M, Janjua, H, Fang, Y, Xiao, R, Cunningham, K, Maglaqui, M, Owen, L.A, Wang, D, Baran, M.C, Liu, J, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-06-23
Release date:2008-08-19
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of a HD-superfamily hydrolase (BT9727_1981) from Bacillus thuringiensis, Northeast Structural Genomics Consortium Target BuR114
To be Published
3CCG
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BU of 3ccg by Molmil
Crystal structure of predicted HD superfamily hydrolase involved in NAD metabolism (NP_347894.1) from Clostridium acetobutylicum at 1.50 A resolution
Descriptor: FE (III) ION, HD superfamily hydrolase, PHOSPHATE ION
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-02-25
Release date:2008-03-11
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of predicted HD superfamily hydrolase involved in NAD metabolism (NP_347894.1) from Clostridium acetobutylicum at 1.50 A resolution
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
7A5Y
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BU of 7a5y by Molmil
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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PDB entries from 2024-09-18

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