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8A0S
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BU of 8a0s by Molmil
MTH1 in complex with TH013350
Descriptor: 4-[(2-chlorophenyl)methylsulfanyl]-5~{H}-pyrimidin-2-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
Authors:Liu, H, Scaletti, E, Stenmark, P.
Deposit date:2022-05-30
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:MTH1 in complex with TH013350
To Be Published
7N13
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BU of 7n13 by Molmil
Crystal structure of MTH1 in complex with compound 32
Descriptor: 4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-7-fluoroquinoline-3-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
Authors:Eron, S.J.
Deposit date:2021-05-26
Release date:2021-11-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Development of an AchillesTAG degradation system and its application to control CAR-T activity
Curr Res Chem Biol, 1, 2021
7N03
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BU of 7n03 by Molmil
Crystal structure of MTH1 in complex with compound 31
Descriptor: 4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
Authors:Eron, S.J.
Deposit date:2021-05-24
Release date:2021-11-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Development of an AchillesTAG degradation system and its application to control CAR-T activity
Curr Res Chem Biol, 1, 2021
8DP9
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BU of 8dp9 by Molmil
Crystal structure of the monomeric AvrM14-B Nudix hydrolase effector from Melampsora lini
Descriptor: AvrM14-B, SULFATE ION
Authors:McCombe, C.L, Outram, M.A, Ericsson, D.J, Williams, S.J.
Deposit date:2022-07-15
Release date:2023-01-25
Last modified:2023-06-14
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:A rust-fungus Nudix hydrolase effector decaps mRNA in vitro and interferes with plant immune pathways.
New Phytol., 239, 2023
7NNJ
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BU of 7nnj by Molmil
Crystal Structure of NUDT4 (Diphosphoinositol polyphosphate phosphohydrolase 2) in complex with 4-O-Bn-1-PCP-InsP4 (AMR2105)
Descriptor: 1,2-ETHANEDIOL, Diphosphoinositol polyphosphate phosphohydrolase 2, FORMIC ACID, ...
Authors:Dubianok, Y, Arruda Bezerra, G, Raux, B, Diaz Saez, L, Riley, A.M, Potter, B.V.L, Huber, K.V.M, von Delft, F.
Deposit date:2021-02-24
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.755 Å)
Cite:Crystal Structure of NUDT4 (Diphosphoinositol polyphosphate phosphohydrolase 2) in complex with 4-O-Bn-1-PCP-InsP4 (AMR2105)
To Be Published
7NR6
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BU of 7nr6 by Molmil
Structure of NUDT15 in complex with NSC56456
Descriptor: 1,2-ETHANEDIOL, 2-azanyl-9-cyclohexyl-3~{H}-purine-6-thione, MAGNESIUM ION, ...
Authors:Rehling, D, Stenmark, P.
Deposit date:2021-03-03
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Coupling cellular target engagement to drug-induced responses with CeTEAM
To Be Published
8G9C
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BU of 8g9c by Molmil
Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 5- difluoromethylenebisphosphonate inositol pentakisphosphate (5-PCF2P-IP5), an analogue of 5-InsP7
Descriptor: CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, FLUORIDE ION, ...
Authors:Zong, G, Wang, H, Shears, S.
Deposit date:2023-02-21
Release date:2024-01-03
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Fluorination Influences the Bioisostery of Myo-Inositol Pyrophosphate Analogs.
Chemistry, 29, 2023
8G9D
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Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 5- phosphonodifluoroacetamide inositol pentakisphosphate (5-PCF2Am-InsP5), an analogue of 5-InsP7
Descriptor: (1,1-difluoro-2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid, Diphosphoinositol polyphosphate phosphohydrolase 1
Authors:Zong, G, Wang, H, Shears, S.
Deposit date:2023-02-21
Release date:2024-01-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fluorination Influences the Bioisostery of Myo-Inositol Pyrophosphate Analogs.
Chemistry, 29, 2023
7R0D
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BU of 7r0d by Molmil
Structure of NUDT15 in complex with Geranyl monophosphate
Descriptor: Geranyl phosphate, MAGNESIUM ION, Probable 8-oxo-dGTP diphosphatase NUDT15
Authors:Scaletti, E.R, Stenmark, P.
Deposit date:2022-02-01
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of NUDT15 in complex with Geranyl monophosphate
To Be Published
4C9X
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BU of 4c9x by Molmil
Crystal structure of NUDT1 (MTH1) with S-crizotinib
Descriptor: 3-[(1S)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY]-5-(1-PIPERIDIN-4-YLPYRAZOL-4-YL)PYRIDIN-2-AMINE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, CHLORIDE ION, ...
Authors:Elkins, J.M, Salah, E, Huber, K, Superti-Furga, G, Abdul Azeez, K.R, Krojer, T, von Delft, F, Bountra, C, Edwards, A, Knapp, S.
Deposit date:2013-10-03
Release date:2014-04-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Stereospecific Targeting of Mth1 by (S)-Crizotinib as an Anticancer Strategy.
Nature, 508, 2014
4C9W
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BU of 4c9w by Molmil
Crystal structure of NUDT1 (MTH1) with R-crizotinib
Descriptor: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, CHLORIDE ION, ...
Authors:Elkins, J.M, Salah, E, Huber, K, Superti-Furga, G, Abdul Azeez, K.R, Raynor, J, Krojer, T, von Delft, F, Bountra, C, Edwards, A, Knapp, S.
Deposit date:2013-10-03
Release date:2014-04-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Stereospecific Targeting of Mth1 by (S)-Crizotinib as an Anticancer Strategy.
Nature, 508, 2014
4DYW
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BU of 4dyw by Molmil
Crystal structure of MutT NUDIX hydrolase from Burkholderia pseudomallei
Descriptor: MutT/NUDIX family protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-02-29
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of MutT NUDIX hydrolase from Burkholderia pseudomallei
To be Published
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
6PCK
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BU of 6pck by Molmil
Crystal structure of human diphosphoinositol polyphosphate phosphohydrolase 1 in complex with 1-IP7
Descriptor: (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ...
Authors:Dollins, D.E, Neubauer, J, Dong, J, York, J.D.
Deposit date:2019-06-17
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Vip1 is a kinase and pyrophosphatase switch that regulates inositol diphosphate signaling.
Proc.Natl.Acad.Sci.USA, 117, 2020
6P5R
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BU of 6p5r by Molmil
Structure of T. brucei MERS1-GDP complex
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Mitochondrial edited mRNA stability factor 1
Authors:Schumacher, M.A.
Deposit date:2019-05-30
Release date:2019-11-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structures of MERS1, the 5' processing enzyme of mitochondrial mRNAs inTrypanosoma brucei.
Rna, 26, 2020
6PCL
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BU of 6pcl by Molmil
Crystal structure of human diphosphoinositol polyphosphate phosphohydrolase 1 in complex with 5-IP7
Descriptor: (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ...
Authors:Dollins, D.E, Neubauer, J, Dong, J, York, J.D.
Deposit date:2019-06-17
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Vip1 is a kinase and pyrophosphatase switch that regulates inositol diphosphate signaling.
Proc.Natl.Acad.Sci.USA, 117, 2020
7DNU
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BU of 7dnu by Molmil
mRNA-decapping enzyme g5Rp with inhibitor insp6 complex
Descriptor: INOSITOL HEXAKISPHOSPHATE, mRNA-decapping protein g5R
Authors:Yang, Y, Chen, C, Li, L, Li, X.H, Su, D.
Deposit date:2020-12-10
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.245 Å)
Cite:Structural Insight into Molecular Inhibitory Mechanism of InsP 6 on African Swine Fever Virus mRNA-Decapping Enzyme g5Rp.
J.Virol., 96, 2022
7DNT
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BU of 7dnt by Molmil
mRNA-decapping enzyme g5Rp
Descriptor: mRNA-decapping protein g5R
Authors:Yang, Y, Chen, C, Li, L, Li, X.H, Su, D.
Deposit date:2020-12-10
Release date:2022-03-09
Last modified:2022-12-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insight into Molecular Inhibitory Mechanism of InsP 6 on African Swine Fever Virus mRNA-Decapping Enzyme g5Rp.
J.Virol., 96, 2022
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
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
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
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
7ESF
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BU of 7esf by Molmil
The Crystal Structure of human MTH1 from Biortus
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL
Authors:Wang, F, Cheng, W, Shang, H, Wang, R, Zhang, B, Tian, F.
Deposit date:2021-05-10
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The Crystal Structure of human MTH1 from Biortus
To Be Published
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
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

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