PDB: 42250 件ウェブページステータス検索Chemie searchBIRD

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5DJJ	Structure of M. tuberculosis CysQ, a PAP phosphatase with PO4 and 2Mg bound 分子名称: 3'-phosphoadenosine 5'-phosphate phosphatase, MAGNESIUM ION, PHOSPHATE ION, ... 著者 Fisher, A.J, Erickson, A.I. 登録日 2015-09-02 公開日 2015-11-11 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.501 Å) 主引用文献 Crystal Structures of Mycobacterium tuberculosis CysQ, with Substrate and Products Bound. Biochemistry, 54, 2015
5DJG	Structure of M. tuberculosis CysQ, a PAP phosphatase with PAP, Mg, and Li bound 分子名称: 3'-phosphoadenosine 5'-phosphate phosphatase, ADENOSINE-3'-5'-DIPHOSPHATE, LITHIUM ION, ... 著者 Fisher, A.J, Erickson, A.I. 登録日 2015-09-02 公開日 2015-11-11 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.951 Å) 主引用文献 Crystal Structures of Mycobacterium tuberculosis CysQ, with Substrate and Products Bound. Biochemistry, 54, 2015
5DJH	Structure of M. tuberculosis CysQ, a PAP phosphatase with AMP, PO4, and 3Mg bound 分子名称: 3'-phosphoadenosine 5'-phosphate phosphatase, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ... 著者 Fisher, A.J, Erickson, A.I. 登録日 2015-09-02 公開日 2015-11-11 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.451 Å) 主引用文献 Crystal Structures of Mycobacterium tuberculosis CysQ, with Substrate and Products Bound. Biochemistry, 54, 2015
5QGY	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000158 分子名称: ACETATE ION, DIMETHYL SULFOXIDE, N-(3-chlorophenyl)-2-phenylacetamide, ... 著者 Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2018-05-15 公開日 2019-03-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
5QHE	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with RK4-350 分子名称: 1-(4'-fluoro[1,1'-biphenyl]-2-yl)-1,3-dihydro-2H-pyrrol-2-one, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2018-05-15 公開日 2019-03-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
5QGS	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000476a 分子名称: ACETATE ION, DIMETHYL SULFOXIDE, N-(4-chlorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]urea, ... 著者 Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2018-05-15 公開日 2019-03-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
7S0U	PRMT5/MEP50 crystal structure with MTA and phthalazinone fragment bound 分子名称: 1,2-ETHANEDIOL, 4-(aminomethyl)phthalazin-1(2H)-one, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ... 著者 Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Smith, C.R, Kulyk, S, Marx, M.A. 登録日 2021-08-31 公開日 2022-01-26 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP -Deleted Cancers. J.Med.Chem., 65, 2022
7S1R	PRMT5/MEP50 crystal structure with MTA and a phthalazinone inhibitor bound (compound (M)-31) 分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, Protein arginine N-methyltransferase 5, ... 著者 Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Kulyk, S, Smith, C.R, Marx, M.A. 登録日 2021-09-02 公開日 2022-01-26 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP -Deleted Cancers. J.Med.Chem., 65, 2022
7S1S	PRMT5/MEP50 crystal structure with MTA and MRTX-1719 bound 分子名称: (7-{(5M)-5-[3-chloro-6-cyano-5-(cyclopropyloxy)-2-fluorophenyl]-1-methyl-1H-pyrazol-4-yl}-4-oxo-3,4-dihydrophthalazin-1-yl)methanaminium, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ... 著者 Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Kulyk, S, Smith, C.R, Marx, M.A. 登録日 2021-09-02 公開日 2022-01-26 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.62 Å) 主引用文献 Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP -Deleted Cancers. J.Med.Chem., 65, 2022
5QGK	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000679a 分子名称: ACETATE ION, DIMETHYL SULFOXIDE, N-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ... 著者 Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2018-05-15 公開日 2019-03-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
5QGU	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000747a 分子名称: (4-tert-butylpiperidin-1-yl)(phenyl)methanone, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2018-05-15 公開日 2019-03-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
5QH7	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000194a 分子名称: 2-(3-methylphenyl)-N-(1,2-oxazol-3-yl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2018-05-15 公開日 2019-03-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
5QH6	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000259a 分子名称: 2-(3-hydroxyphenyl)-N-(pyridin-2-yl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2018-05-15 公開日 2019-03-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
5QGQ	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with OX-65 分子名称: 3-methyl-2-[(pyridin-3-yl)oxy]cyclopenta-2,4-dien-1-one, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2018-05-15 公開日 2019-03-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
5QH3	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000191 分子名称: 2-(2,4-difluorophenyl)-N-(pyridin-3-yl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2018-05-15 公開日 2019-03-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
5QHG	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NU000442a 分子名称: 2-{3-[(2R)-1-acryloylpyrrolidin-2-yl]phenyl}-N-(3-chlorophenyl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2018-05-15 公開日 2019-03-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
5CXM	Crystal structure of the cyanobacterial plasma membrane Rieske protein PetC3 from Synechocystis PCC 6803 分子名称: Cytochrome b6/f complex iron-sulfur subunit, FE2/S2 (INORGANIC) CLUSTER, NICKEL (II) ION, ... 著者 Veit, S, Takeda, K, Miki, K, Roegner, M. 登録日 2015-07-29 公開日 2016-08-03 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural and functional characterisation of the cyanobacterial PetC3 Rieske protein family. Biochim. Biophys. Acta, 1857, 2016
5QGP	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with OX-221 分子名称: (3aR,4S,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2018-05-15 公開日 2019-03-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
5QH2	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000188 分子名称: 2-(3-methylphenyl)-N-(pyridin-3-yl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2018-05-15 公開日 2019-03-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
5QGM	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with OX-160 分子名称: 1-(4'-methoxy[1,1'-biphenyl]-2-yl)pyrrolidin-2-one, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2018-05-15 公開日 2019-03-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
5QH0	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000180 分子名称: 2-(3-hydroxyphenyl)-N-(pyridin-3-yl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2018-05-15 公開日 2019-03-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
5QGL	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000275a 分子名称: 3,4,5-trimethoxybenzoic acid, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2018-05-15 公開日 2019-03-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
5QGX	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000155 分子名称: ACETATE ION, DIMETHYL SULFOXIDE, N-(3-chlorophenyl)-2-(4-methoxyphenyl)acetamide, ... 著者 Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2018-05-15 公開日 2019-03-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
5QHA	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with PCM-0102951 分子名称: ACETATE ION, N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide, Peroxisomal coenzyme A diphosphatase NUDT7 著者 Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2018-09-21 公開日 2019-03-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5QH4	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000220a 分子名称: 2-(3-methoxyphenyl)-N-(1,2-oxazol-3-yl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2018-05-15 公開日 2019-03-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published

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