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5ANV
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BU of 5anv by Molmil
MTH1 in complex with compound 15
Descriptor: 4-(4-CHLORO-2-FLUORO-ANILINO)-6,7-DIMETHOXY-N-METHYL-QUINOLINE-3-CARBOXAMIDE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE
Authors:Read, J.A, Breed, J.
Deposit date:2015-09-08
Release date:2016-03-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
5ANU
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BU of 5anu by Molmil
MTH1 in complex with compound 15
Descriptor: 13-(METHYLAMINO)-23,24,25-TRIOXA-17,18,19,21-TETRAZATETRACYCLO-TRICOSA-1(3),2(10),4(11),12(14),13(18),16(19)-HEXAN-15-ONE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, DIMETHYL SULFOXIDE
Authors:Read, J.A, Breed, J.
Deposit date:2015-09-08
Release date:2016-03-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
5ANT
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BU of 5ant by Molmil
Potent and selective inhibitors of MTH1 probe its role in cancer cell survival
Descriptor: 2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7H-purin-8-one, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE
Authors:Kettle, J.G, Alwan, H, Bista, M, Breed, J, Kack, H, Eckersley, K, Foote, K.M, Fillery, S, Goodwin, L, Jones, D, Lau, A, Nissink, J.W.M, Read, J, Scott, J, Taylor, B, Walker, G, Wissler, L.
Deposit date:2015-09-08
Release date:2016-03-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
5ANS
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BU of 5ans by Molmil
Potent and selective inhibitors of MTH1 probe its role in cancer cell survival
Descriptor: 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE
Authors:Kettle, J.G, Alwan, H, Bista, M, Breed, J, Kack, H, Eckersley, K, Foote, K.M, Fillery, S, Goodwin, L, Jones, D, Lau, A, Nissink, J.W.M, Read, J, Scott, J, Taylor, B, Walker, G, Wissler, L.
Deposit date:2015-09-08
Release date:2016-03-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
4ZBP
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BU of 4zbp by Molmil
Crystal structure of the AMPCPR-bound AtNUDT7
Descriptor: ALPHA-BETA METHYLENE ADP-RIBOSE, Nudix hydrolase 7, SULFATE ION
Authors:Tang, Q, Liu, C, Zhong, C, Ding, J.
Deposit date:2015-04-15
Release date:2015-09-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structures of Arabidopsis thaliana Nudix Hydrolase NUDT7 Reveal a Previously Unobserved Conformation.
Mol Plant, 8, 2015
4ZB3
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BU of 4zb3 by Molmil
Crystal structure of the apo AtNUDT7
Descriptor: Nudix hydrolase 7, SULFATE ION
Authors:Tang, Q, Liu, C, Zhong, C, Ding, J.
Deposit date:2015-04-14
Release date:2015-09-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of Arabidopsis thaliana Nudix Hydrolase NUDT7 Reveal a Previously Unobserved Conformation.
Mol Plant, 8, 2015
4S2Y
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BU of 4s2y by Molmil
Structure of E. coli RppH bound to RNA and three magnesium ions
Descriptor: CHLORIDE ION, MAGNESIUM ION, RNA (5'-R(*(APC)*GP*U)-3'), ...
Authors:Vasilyev, N, Serganov, A.
Deposit date:2015-01-23
Release date:2015-02-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of RNA Complexes with the Escherichia coli RNA Pyrophosphohydrolase RppH Unveil the Basis for Specific 5'-End-dependent mRNA Decay.
J.Biol.Chem., 290, 2015
4S2X
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BU of 4s2x by Molmil
Structure of E. coli RppH bound to RNA and two magnesium ions
Descriptor: MAGNESIUM ION, RNA (5'-R(*(APC)*GP*U)-3'), RNA pyrophosphohydrolase, ...
Authors:Vasilyev, N, Serganov, A.
Deposit date:2015-01-23
Release date:2015-02-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of RNA Complexes with the Escherichia coli RNA Pyrophosphohydrolase RppH Unveil the Basis for Specific 5'-End-dependent mRNA Decay.
J.Biol.Chem., 290, 2015
4S2W
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BU of 4s2w by Molmil
Structure of E. coli RppH bound to sulfate ions
Descriptor: RNA pyrophosphohydrolase, SULFATE ION
Authors:Vasilyev, N, Serganov, A.
Deposit date:2015-01-23
Release date:2015-02-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Structures of RNA Complexes with the Escherichia coli RNA Pyrophosphohydrolase RppH Unveil the Basis for Specific 5'-End-dependent mRNA Decay.
J.Biol.Chem., 290, 2015
4S2V
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BU of 4s2v by Molmil
E. coli RppH structure, KI soak
Descriptor: ACETATE ION, CALCIUM ION, IODIDE ION, ...
Authors:Vasilyev, N, Serganov, A.
Deposit date:2015-01-23
Release date:2015-02-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of RNA Complexes with the Escherichia coli RNA Pyrophosphohydrolase RppH Unveil the Basis for Specific 5'-End-dependent mRNA Decay.
J.Biol.Chem., 290, 2015
4N1U
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BU of 4n1u by Molmil
Structure of human MTH1 in complex with TH588
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine, SULFATE ION
Authors:Berntsson, R.P.-A, Jemth, A, Gustafsson, R, Svensson, L.M, Helleday, T, Stenmark, P.
Deposit date:2013-10-04
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:MTH1 inhibition eradicates cancer by preventing sanitation of the dNTP pool.
Nature, 508, 2014
4N1T
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BU of 4n1t by Molmil
Structure of human MTH1 in complex with TH287
Descriptor: 6-(2,3-dichlorophenyl)-N~4~-methylpyrimidine-2,4-diamine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
Authors:Berntsson, R.P.-A, Jemth, A, Gustafsson, R, Svensson, L.M, Helleday, T, Stenmark, P.
Deposit date:2013-10-04
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:MTH1 inhibition eradicates cancer by preventing sanitation of the dNTP pool.
Nature, 508, 2014
4MPO
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BU of 4mpo by Molmil
1.90 A resolution structure of CT771 from Chlamydia trachomatis Bound to Hydrolyzed Ap4A Products
Descriptor: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, CT771, ...
Authors:Barta, M.L, Lovell, S, Battaile, K.P, Hefty, P.S.
Deposit date:2013-09-13
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Chlamydia trachomatis CT771 (nudH) Is an Asymmetric Ap4A Hydrolase.
Biochemistry, 53, 2014
4KYX
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BU of 4kyx by Molmil
Crystal structure of ADP-ribose pyrophosphatase MutT from Rickettsia felis
Descriptor: ADP-ribose pyrophosphatase MutT
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-05-29
Release date:2013-08-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of ADP-ribose pyrophosphatase MutT from Rickettsia felis
To be Published
4KG4
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BU of 4kg4 by Molmil
Crystal structure of Saccharomyces cerevisiae Dcp2 Nudix domain (E198Q mutation)
Descriptor: mRNA-decapping enzyme subunit 2
Authors:Aglietti, R.A, Floor, S.N, Gross, J.D.
Deposit date:2013-04-28
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Active site conformational dynamics are coupled to catalysis in the mRNA decapping enzyme dcp2.
Structure, 21, 2013
4KG3
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BU of 4kg3 by Molmil
Crystal structure of Saccharomyces cerevisiae Dcp2 Nudix domain in complex with Mg (E153Q mutation)
Descriptor: MAGNESIUM ION, mRNA-decapping enzyme subunit 2
Authors:Aglietti, R.A, Floor, S.N, Gross, J.D.
Deposit date:2013-04-28
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Active site conformational dynamics are coupled to catalysis in the mRNA decapping enzyme dcp2.
Structure, 21, 2013
4K6E
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BU of 4k6e by Molmil
Crystal structure of Saccharomyces cerevisiae Dcp2 Nudix domain in complex with Mg
Descriptor: MAGNESIUM ION, mRNA-decapping enzyme subunit 2
Authors:Aglietti, R.A, Floor, S.N, Gross, J.D.
Deposit date:2013-04-15
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Active site conformational dynamics are coupled to catalysis in the mRNA decapping enzyme dcp2.
Structure, 21, 2013
4JZV
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BU of 4jzv by Molmil
Crystal structure of the Bacillus subtilis pyrophosphohydrolase BsRppH bound to a non-hydrolysable triphosphorylated dinucleotide RNA (pcp-pGpG) - second guanosine residue in guanosine binding pocket
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, RNA (5'-R(*(GCP)P*G)-3'), ...
Authors:Piton, J, Larue, V, Thillier, Y, Dorleans, A, Pellegrini, O, Li de la Sierra-Gallay, I, Vasseur, J.J, Debart, F, Tisne, C, Condon, C.
Deposit date:2013-04-03
Release date:2013-05-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Bacillus subtilis RNA deprotection enzyme RppH recognizes guanosine in the second position of its substrates.
Proc.Natl.Acad.Sci.USA, 110, 2013
4JZU
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BU of 4jzu by Molmil
Crystal structure of the Bacillus subtilis pyrophosphohydrolase BsRppH bound to a non-hydrolysable triphosphorylated dinucleotide RNA (pcp-pGpG) - first guanosine residue in guanosine binding pocket
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, RNA (5'-R(*(GCP)P*G)-3'), RNA PYROPHOSPHOHYDROLASE
Authors:Piton, J, Larue, V, Thillier, Y, Dorleans, A, Pellegrini, O, Li de la Sierra-Gallay, I, Vasseur, J.J, Debart, F, Tisne, C, Condon, C.
Deposit date:2013-04-03
Release date:2013-05-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Bacillus subtilis RNA deprotection enzyme RppH recognizes guanosine in the second position of its substrates.
Proc.Natl.Acad.Sci.USA, 110, 2013
4JZT
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BU of 4jzt by Molmil
Crystal structure of the Bacillus subtilis pyrophosphohydrolase BsRppH (E68A mutant) bound to GTP
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, dGTP pyrophosphohydrolase
Authors:Piton, J, Larue, V, Thillier, Y, Dorleans, A, Pellegrini, O, Li de la Sierra-Gallay, I, Vasseur, J.J, Debart, F, Tisne, C, Condon, C.
Deposit date:2013-04-03
Release date:2013-05-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Bacillus subtilis RNA deprotection enzyme RppH recognizes guanosine in the second position of its substrates.
Proc.Natl.Acad.Sci.USA, 110, 2013
4JZS
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BU of 4jzs by Molmil
Crystal structure of the Bacillus subtilis pyrophosphohydrolase BsRppH (E68A mutant)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, dGTP pyrophosphohydrolase
Authors:Piton, J, Larue, V, Thillier, Y, Dorleans, A, Pellegrini, O, Li de la Sierra-Gallay, I, Vasseur, J.J, Debart, F, Tisne, C, Condon, C.
Deposit date:2013-04-03
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Bacillus subtilis RNA deprotection enzyme RppH recognizes guanosine in the second position of its substrates.
Proc.Natl.Acad.Sci.USA, 110, 2013
4ILQ
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BU of 4ilq by Molmil
2.60A resolution structure of CT771 from Chlamydia trachomatis
Descriptor: CT771, GLYCEROL, SULFATE ION
Authors:Barta, M.L, Lovell, S, Battaile, K.P, Hefty, P.S.
Deposit date:2012-12-31
Release date:2014-01-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Chlamydia trachomatis CT771 (nudH) Is an Asymmetric Ap4A Hydrolase.
Biochemistry, 53, 2014
4IJX
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BU of 4ijx by Molmil
Crystal structure of human Ap4A hydrolase E58A mutant complexed with DPO
Descriptor: Bis(5'-nucleosyl)-tetraphosphatase [asymmetrical], DIPHOSPHATE, GLYCEROL, ...
Authors:Ge, H, Chen, X.
Deposit date:2012-12-24
Release date:2013-03-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of wild-type and mutant human Ap4A hydrolase.
Biochem.Biophys.Res.Commun., 432, 2013
4ICK
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BU of 4ick by Molmil
Crystal structure of human AP4A hydrolase E58A mutant
Descriptor: Bis(5'-nucleosyl)-tetraphosphatase [asymmetrical], GLYCEROL, MAGNESIUM ION, ...
Authors:Ge, H, Chen, X.
Deposit date:2012-12-10
Release date:2013-12-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of wild-type and mutant human Ap4A hydrolase.
Biochem.Biophys.Res.Commun., 432, 2013
4HVY
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BU of 4hvy by Molmil
A thermostable variant of human NUDT18 NUDIX domain obtained by Hot Colony Filtration
Descriptor: GLYCEROL, MAGNESIUM ION, Nucleoside diphosphate-linked moiety X motif 18, ...
Authors:Asial, I, Cheng, Y.X, Engman, H, Wu, B, Dollhopf, M, Nordlund, P, Cornvik, T.
Deposit date:2012-11-07
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Engineering protein thermostability using a generic activity-independent biophysical screen inside the cell.
Nat Commun, 4, 2013

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