PDB: 605 件ウェブページステータス検索Chemie searchBIRD

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1X84	IPP isomerase (wt) reacted with (S)-bromohydrine of IPP 分子名称: (S)-4-BROMO-3-HYDROXY-3-METHYLBUTYL DIPHOSPHATE, Isopentenyl-diphosphate delta-isomerase, MAGNESIUM ION, ... 著者 Wouters, J, Oldfield, E. 登録日 2004-08-17 公開日 2005-01-25 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 A Crystallographic Investigation of Phosphoantigen Binding to Isopentenyl Pyrophosphate/Dimethylallyl Pyrophosphate Isomerase J.Am.Chem.Soc., 127, 2005
1X83	Y104F IPP isomerase reacted with (S)-bromohydrine of IPP 分子名称: (S)-4-BROMO-3-HYDROXY-3-METHYLBUTYL DIPHOSPHATE, Isopentenyl-diphosphate delta-isomerase, MAGNESIUM ION, ... 著者 Wouters, J, Oldfield, E. 登録日 2004-08-17 公開日 2005-01-25 最終更新日 2021-10-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 A Crystallographic Investigation of Phosphoantigen Binding to Isopentenyl Pyrophosphate/Dimethylallyl Pyrophosphate Isomerase J.Am.Chem.Soc., 127, 2005
1XSC	Structure of the nudix enzyme AP4A hydrolase from homo sapiens (E63A mutant) in complex with ATP 分子名称: ADENOSINE-5'-TRIPHOSPHATE, Bis(5'-nucleosyl)-tetraphosphatase 著者 Swarbrick, J.D, Buyya, S, Gunawardana, D, Gayler, K.R, McLennan, A.G, Gooley, P.R. 登録日 2004-10-18 公開日 2004-12-21 最終更新日 2021-11-10 実験手法 SOLUTION NMR 主引用文献 Structure and Substrate-binding Mechanism of Human Ap4A Hydrolase J.Biol.Chem., 280, 2005
1XSA	Structure of the nudix enzyme AP4A hydrolase from homo sapiens (E63A mutant) 分子名称: Bis(5'-nucleosyl)-tetraphosphatase 著者 Swarbrick, J.D, Buyya, S, Gunawardana, D, Gayler, K.R, McLennan, A.G, Gooley, P.R. 登録日 2004-10-18 公開日 2004-12-21 最終更新日 2021-11-10 実験手法 SOLUTION NMR 主引用文献 Structure and Substrate-binding Mechanism of Human Ap4A Hydrolase J.Biol.Chem., 280, 2005
1XSB	Structure of the nudix enzyme AP4A hydrolase from homo sapiens (E63A mutant) in complex with ATP. No ATP restraints included 分子名称: Bis(5'-nucleosyl)-tetraphosphatase 著者 Swarbrick, J.D, Buyya, S, Gunawardana, D, Gayler, K.R, McLennan, A.G, Gooley, P.R. 登録日 2004-10-18 公開日 2004-12-21 最終更新日 2021-11-10 実験手法 SOLUTION NMR 主引用文献 Structure and Substrate-binding Mechanism of Human Ap4A Hydrolase J.Biol.Chem., 280, 2005
6DBY	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
6DT3	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	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
6EQ4	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 2019-05-22 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
6EQ6	MTH1 in complex with fragment 1 分子名称: 3-pyrrolidin-1-ylquinoxalin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE 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 2019-05-22 実験手法 X-RAY DIFFRACTION (2.002 Å) 主引用文献 Ligand retargeting by binding site analogy. Eur.J.Med.Chem., 175, 2019
6EQ2	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 2019-08-14 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
6EQ7	MTH1 in complex with fragment 11 分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, 7-(3-fluoranylpyridin-4-yl)-1~{H}-imidazo[4,5-b]pyridin-2-amine, 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 2019-05-22 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Ligand retargeting by binding site analogy. Eur.J.Med.Chem., 175, 2019
6EHH	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
6EQ3	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 2019-05-22 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
6EQ5	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 2019-05-22 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
6F22	Complex between MTH1 and compound 29 (a 4-amino-2,7-diazaindole derivative) 分子名称: (3~{S})-3-phenyl-4-(2~{H}-pyrazolo[3,4-b]pyridin-4-yl)morpholine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION 著者 Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. 登録日 2017-11-23 公開日 2018-03-07 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design. J. Med. Chem., 61, 2018
6F1X	Complex between MTH1 and compound 7 (a 7-azaindole-2-amide derivative) 分子名称: 4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION 著者 Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. 登録日 2017-11-23 公開日 2018-03-07 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design. J. Med. Chem., 61, 2018
6F23	Complex between MTH1 and compound 16 (a 4-amino-7-azaindole derivative) 分子名称: 4-[(2~{R})-2-phenylpyrrolidin-1-yl]-1~{H}-pyrrolo[2,3-b]pyridine, 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, ... 著者 Viklund, J, Tresaugues, L, Talagas, A, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. 登録日 2017-11-23 公開日 2018-03-07 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design. J. Med. Chem., 61, 2018
6F20	Complex between MTH1 and compound 1 (a 7-azaindole-4-ester derivative) 分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, Ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate, ... 著者 Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. 登録日 2017-11-23 公開日 2018-03-07 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design. J. Med. Chem., 61, 2018
6FL4	A. thaliana NUDT1 in complex with 8-oxo-dGTP 分子名称: 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Nudix hydrolase 1 著者 Jemth, A.S, Scaletti-Hutchinson, E, Carter, M, Helleday, T, Stenmark, P. 登録日 2018-01-25 公開日 2019-02-06 最終更新日 2019-08-21 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal Structure and Substrate Specificity of the 8-oxo-dGTP Hydrolase NUDT1 from Arabidopsis thaliana. Biochemistry, 58, 2019
6GLU	Crystal structure of hMTH1 D120N in complex with LW14 in the presence of acetate 分子名称: 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase 著者 Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. 登録日 2018-05-23 公開日 2019-02-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 hMTH1 D120N in complex with LW14 To Be Published
6GLF	Crystal structure of hMTH1 F27A in the presence of acetate 分子名称: 7,8-dihydro-8-oxoguanine triphosphatase 著者 Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. 登録日 2018-05-23 公開日 2019-02-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 hMTH1 F27A To Be Published
6GLL	Crystal structure of hMTH1 N33A in complex with LW14 in the presence of acetate 分子名称: 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... 著者 Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. 登録日 2018-05-23 公開日 2019-02-20 実験手法 X-RAY DIFFRACTION (1.395 Å) 主引用文献 hMTH1 N33A in complex with LW14 To Be Published
6GLE	Crystal structure of hMTH1 in complex with TH scaffold 1 in the presence of acetate 分子名称: 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION 著者 Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. 登録日 2018-05-23 公開日 2019-02-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.402 Å) 主引用文献 hMTH1 in complex with TH scaffold 1 To Be Published
6GLK	Crystal structure of hMTH1 N33A in the presence of acetate 分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION 著者 Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. 登録日 2018-05-23 公開日 2019-02-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 in progress To Be Published

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