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6EQ5
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MTH1 in complex with fragment 4
分子名称: 1H-benzimidazol-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Wiedmer, L, Sledz, P, Caflisch, A.
登録日2017-10-12
公開日2018-10-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Ligand retargeting by binding site analogy.
Eur.J.Med.Chem., 175, 2019
6EQ4
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BU of 6eq4 by Molmil
MTH1 in complex with fragment 8
分子名称: 4-(3-fluoranylpyridin-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Wiedmer, L, Sledz, P, Caflisch, A.
登録日2017-10-12
公開日2018-10-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Ligand retargeting by binding site analogy.
Eur.J.Med.Chem., 175, 2019
6EQ3
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BU of 6eq3 by Molmil
MTH1 in complex with fragment 9
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, [2-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol
著者Wiedmer, L, Sledz, P, Caflisch, A.
登録日2017-10-12
公開日2018-10-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Ligand retargeting by binding site analogy.
Eur.J.Med.Chem., 175, 2019
6EQ2
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BU of 6eq2 by Molmil
MTH1 in complex with fragment 6
分子名称: 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase
著者Wiedmer, L, Sledz, P, Caflisch, A.
登録日2017-10-12
公開日2018-10-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Ligand retargeting by binding site analogy.
Eur.J.Med.Chem., 175, 2019
6EHH
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BU of 6ehh by Molmil
Crystal structure of mouse MTH1 mutant L116M with inhibitor TH588
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ...
著者Gustafsson, R, Narwal, M, Jemth, A.-S, Almlof, I, Warpman Berglund, U, Helleday, T, Stenmark, P.
登録日2017-09-13
公開日2018-01-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity.
Biochemistry, 57, 2018
6DT3
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BU of 6dt3 by Molmil
1.2 Angstrom Resolution Crystal Structure of Nucleoside Triphosphatase NudI from Klebsiella pneumoniae in Complex with HEPES
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Nucleoside triphosphatase NudI
著者Minasov, G, Shuvalova, L, Pshenychnyi, S, Endres, M, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-06-15
公開日2018-06-27
最終更新日2023-06-14
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
6DBZ
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BU of 6dbz by Molmil
Crystal structure of Nudix 1 from Arabidopsis thaliana complexed with isopentenyl diphosphate
分子名称: ISOPENTYL PYROPHOSPHATE, MAGNESIUM ION, Nudix hydrolase 1
著者Noel, J.P, Thomas, S.T, Dudareva, N, Henry, L.K.
登録日2018-05-03
公開日2018-09-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Contribution of isopentenyl phosphate to plant terpenoid metabolism.
Nat Plants, 4, 2018
6DBY
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BU of 6dby by Molmil
Crystal structure of Nudix 1 from Arabidopsis thaliana
分子名称: MAGNESIUM ION, Nudix hydrolase 1
著者Noel, J.P, Thomas, S.T, Dudareva, N, Henry, L.K.
登録日2018-05-03
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Contribution of isopentenyl phosphate to plant terpenoid metabolism.
Nat Plants, 4, 2018
6D1V
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BU of 6d1v by Molmil
Crystal structure of E. coli RppH-DapF complex, monomer bound to RNA
分子名称: CHLORIDE ION, Diaminopimelate epimerase, GLYCEROL, ...
著者Gao, A, Serganov, A.
登録日2018-04-12
公開日2018-05-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural and kinetic insights into stimulation of RppH-dependent RNA degradation by the metabolic enzyme DapF.
Nucleic Acids Res., 46, 2018
6D1Q
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BU of 6d1q by Molmil
Crystal structure of E. coli RppH-DapF complex, monomer
分子名称: CHLORIDE ION, Diaminopimelate epimerase, GLYCEROL, ...
著者Gao, A, Serganov, A.
登録日2018-04-12
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and kinetic insights into stimulation of RppH-dependent RNA degradation by the metabolic enzyme DapF.
Nucleic Acids Res., 46, 2018
6D13
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BU of 6d13 by Molmil
Crystal structure of E.coli RppH-DapF complex
分子名称: CHLORIDE ION, Diaminopimelate epimerase, IODIDE ION, ...
著者Gao, A, Serganov, A.
登録日2018-04-11
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Structural and kinetic insights into stimulation of RppH-dependent RNA degradation by the metabolic enzyme DapF.
Nucleic Acids Res., 46, 2018
6CO7
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BU of 6co7 by Molmil
Structure of the nvTRPM2 channel in complex with Ca2+
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Zhang, Z, Toth, B, Szollosi, A, Chen, J, Csanady, L.
登録日2018-03-12
公開日2018-05-16
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Structure of a TRPM2 channel in complex with Ca2+explains unique gating regulation.
Elife, 7, 2018
6CO2
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BU of 6co2 by Molmil
Structure of an engineered protein (NUDT16TI) in complex with 53BP1 Tudor domains
分子名称: NUDT16-Tudor-interacting (NUDT16TI), TP53-binding protein 1
著者Botuyan, M.V, Thompson, J.R, Cui, G, Mer, G.
登録日2018-03-10
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Mechanism of 53BP1 activity regulation by RNA-binding TIRR and a designer protein.
Nat. Struct. Mol. Biol., 25, 2018
6B09
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BU of 6b09 by Molmil
Crystal structure of HsNUDT16 in complex with diADPR (soaked)
分子名称: CHLORIDE ION, MAGNESIUM ION, SODIUM ION, ...
著者Thirawatananond, P, Gabelli, S.B.
登録日2017-09-14
公開日2019-01-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural analyses of NudT16-ADP-ribose complexes direct rational design of mutants with improved processing of poly(ADP-ribosyl)ated proteins.
Sci Rep, 9, 2019
6AM0
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BU of 6am0 by Molmil
Crystal structure of K. lactis Edc1-Dcp1-Dcp2-Edc3 decapping complex with synthetic cap substrate analog
分子名称: KLLA0A01474p, KLLA0A11308p, KLLA0E01827p, ...
著者Mugridge, J.S, Gross, J.D.
登録日2017-08-08
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Structure of the activated Edc1-Dcp1-Dcp2-Edc3 mRNA decapping complex with substrate analog poised for catalysis.
Nat Commun, 9, 2018
6AA5
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BU of 6aa5 by Molmil
Crystal structure of MTH1 in complex with 3-isomangostin
分子名称: 5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, ...
著者Yokoyama, T, Kitakami, R, Mizuguchi, M.
登録日2018-07-17
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening.
Eur J Med Chem, 167, 2019
6AA4
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BU of 6aa4 by Molmil
Crystal structure of MTH1 in complex with alpha-mangostin (cocktail No. 9)
分子名称: 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, ...
著者Yokoyama, T, Kitakami, R, Mizuguchi, M.
登録日2018-07-17
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening.
Eur J Med Chem, 167, 2019
6AA3
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BU of 6aa3 by Molmil
Crystal structure of MTH1 in apo form (cocktail No. 1)
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, ZINC ION
著者Yokoyama, T, Kitakami, R, Mizuguchi, M.
登録日2018-07-17
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening.
Eur J Med Chem, 167, 2019
5ZRP
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BU of 5zrp by Molmil
M. smegmatis antimutator protein MutT2 form 3
分子名称: Putative mutator protein MutT2/NUDIX hydrolase
著者Singh, A, Arif, S.M, Sang, P.B, Varshney, U, Vijayan, M.
登録日2018-04-24
公開日2019-04-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural insights into the specificity and catalytic mechanism of mycobacterial nucleotide pool sanitizing enzyme MutT2.
J.Struct.Biol., 204, 2018
5ZRO
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BU of 5zro by Molmil
M. smegmatis antimutator protein MutT2 in complex with 5mdCTP
分子名称: 1,2-ETHANEDIOL, 2'-DEOXY-5-METHYLCYTIDINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), Putative mutator protein MutT2/NUDIX hydrolase
著者Singh, A, Arif, S.M, Sang, P.B, Varshney, U, Vijayan, M.
登録日2018-04-24
公開日2019-04-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Structural insights into the specificity and catalytic mechanism of mycobacterial nucleotide pool sanitizing enzyme MutT2.
J.Struct.Biol., 204, 2018
5ZRL
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BU of 5zrl by Molmil
M. smegmatis antimutator protein MutT2 in complex with CDP
分子名称: 1,2-ETHANEDIOL, CYTIDINE-5'-DIPHOSPHATE, Putative mutator protein MutT2/NUDIX hydrolase
著者Singh, A, Arif, S.M, Sang, P.B, Varshney, U, Vijayan, M.
登録日2018-04-24
公開日2019-04-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Structural insights into the specificity and catalytic mechanism of mycobacterial nucleotide pool sanitizing enzyme MutT2.
J.Struct.Biol., 204, 2018
5ZRK
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BU of 5zrk by Molmil
M. smegmatis antimutator protein MutT2 in complex with dCTP
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Putative mutator protein MutT2/NUDIX hydrolase
著者Singh, A, Arif, S.M, Sang, P.B, Varshney, U, Vijayan, M.
登録日2018-04-24
公開日2019-04-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structural insights into the specificity and catalytic mechanism of mycobacterial nucleotide pool sanitizing enzyme MutT2.
J.Struct.Biol., 204, 2018
5ZRI
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BU of 5zri by Molmil
M. smegmatis antimutator protein MutT2 in complex with 5m-dCMP
分子名称: MAGNESIUM ION, Putative mutator protein MutT2/NUDIX hydrolase, [(2R,3S,5R)-5-(4-azanyl-5-methyl-pyrimidin-1-ium-1-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
著者Singh, A, Arif, S.M, Sang, P.B, Varshney, U, Vijayan, M.
登録日2018-04-24
公開日2019-04-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural insights into the specificity and catalytic mechanism of mycobacterial nucleotide pool sanitizing enzyme MutT2.
J.Struct.Biol., 204, 2018
5ZRH
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M. smegmatis antimutator protein MutT2 in complex with CMP
分子名称: 1,2-ETHANEDIOL, CYTIDINE-5'-MONOPHOSPHATE, Putative mutator protein MutT2/NUDIX hydrolase
著者Singh, A, Arif, S.M, Sang, P.B, Varshney, U, Vijayan, M.
登録日2018-04-24
公開日2019-04-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural insights into the specificity and catalytic mechanism of mycobacterial nucleotide pool sanitizing enzyme MutT2.
J.Struct.Biol., 204, 2018
5ZRG
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M. smegmatis antimutator protein MutT2 in complex with dCMP
分子名称: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, Putative mutator protein MutT2/NUDIX hydrolase
著者Singh, A, Arif, S.M, Sang, P.B, Varshney, U, Vijayan, M.
登録日2018-04-24
公開日2019-04-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural insights into the specificity and catalytic mechanism of mycobacterial nucleotide pool sanitizing enzyme MutT2.
J.Struct.Biol., 204, 2018

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