5XFP
 
 | | Binary complex of PHF1 and a double stranded DNA | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (5'-D(*GP*GP*GP*CP*GP*GP*CP*CP*GP*CP*CP*CP*T)-3'), PHD finger protein 1, ... | | 著者 | Wang, Z, Li, H. | | 登録日 | 2017-04-11 | | 公開日 | 2017-09-13 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Polycomb-like proteins link the PRC2 complex to CpG islands
Nature, 549, 2017
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7UBU
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7UYA
 | | Inhibitor bound VIM1 | | 分子名称: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | | 著者 | Fischmann, T.O, Scapin, G. | | 登録日 | 2022-05-06 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.01 Å) | | 主引用文献 | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
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7UYD
 | | Inhibitor bound VIM1 | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | | 著者 | Fischmann, T.O, Scapin, G. | | 登録日 | 2022-05-06 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
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6YP1
 | | HiCel7B unliganded | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETAMIDE, Endoglucanase 1, ... | | 著者 | McGregor, N.G.S, Davies, G.J. | | 登録日 | 2020-04-15 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Glycosylated cyclophellitol-derived activity-based probes and inhibitors for cellulases.
Rsc Chem Biol, 1, 2020
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6YOZ
 | | HiCel7B labelled with b-1,4-glucosyl cyclophellitol | | 分子名称: | (1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETAMIDE, ... | | 著者 | McGregor, N.G.S, Davies, G.J. | | 登録日 | 2020-04-15 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Glycosylated cyclophellitol-derived activity-based probes and inhibitors for cellulases.
Rsc Chem Biol, 1, 2020
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8ERA
 | | RMC-5552 in complex with mTORC1 and FKBP12 | | 分子名称: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | | 著者 | Tomlinson, A.C.A, Yano, J.K. | | 登録日 | 2022-10-11 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (2.86 Å) | | 主引用文献 | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
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8ER6
 | | FKBP12-FRB in Complex with Compound 11 | | 分子名称: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1,2-ETHANEDIOL, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | | 著者 | Tomlinson, A.C.A, Yano, J.K. | | 登録日 | 2022-10-11 | | 公開日 | 2022-12-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
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8ER7
 | | FKBP12-FRB in Complex with Compound 12 | | 分子名称: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-5,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | | 著者 | Tomlinson, A.C.A, Yano, J.K. | | 登録日 | 2022-10-11 | | 公開日 | 2022-12-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (3.07 Å) | | 主引用文献 | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
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8EME
 | | EGFR(T790M/V948R) in complex with ZNL-0056 | | 分子名称: | Epidermal growth factor receptor, N-{7-methyl-1-[(3S)-1-(prop-2-enoyl)azepan-3-yl]-1H-benzimidazol-2-yl}-5-(prop-2-enamido)thiophene-3-carboxamide | | 著者 | Beyett, T.S, Eck, M.J. | | 登録日 | 2022-09-27 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (3.32 Å) | | 主引用文献 | Molecular Bidents with Two Electrophilic Warheads as a New Pharmacological Modality.
Acs Cent.Sci., 10, 2024
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8F97
 | | Compound 5 bound to procaspase-6 | | 分子名称: | 1,2-ETHANEDIOL, 2-({[(2M)-[2,3'-bipyridin]-2'-yl]amino}methyl)-5-fluorophenol, CHLORIDE ION, ... | | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | 登録日 | 2022-11-23 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F99
 | | Compound 10 bound to procaspase-6 | | 分子名称: | 5-fluoro-2-({[(3M)-3-(1,3-oxazol-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | 登録日 | 2022-11-23 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F9A
 | | Compound 11 bound to procaspase-6 | | 分子名称: | 5-fluoro-2-({[(3M)-3-(1,2-oxazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | 登録日 | 2022-11-23 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F9B
 | | Compound 19 bound to procaspase-6 | | 分子名称: | 5-fluoro-2-({[(3M)-3-(1,2-thiazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | 登録日 | 2022-11-23 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F9C
 | | Compound 20 bound to procaspase-6 | | 分子名称: | 5-fluoro-2-({[(3M)-3-(4H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | 登録日 | 2022-11-23 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F9D
 | | Compound 21 bound to procaspase-6 | | 分子名称: | 1,2-ETHANEDIOL, 5-fluoro-2-({[(3M)-3-(1,2,4-oxadiazol-3-yl)pyridin-2-yl]amino}methyl)phenol, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | 登録日 | 2022-11-23 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8FBV
 | | Compound 7 bound to procaspase-6 | | 分子名称: | 5-fluoro-2-({[(3M)-3-(1H-imidazol-2-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | 登録日 | 2022-11-30 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F98
 | | Compound 8 bound to procaspase-6 | | 分子名称: | 5-fluoro-2-({[(3M)-3-(1H-imidazol-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | 登録日 | 2022-11-23 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F96
 | | Compound 3 bound to procaspase-6 | | 分子名称: | 5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | 登録日 | 2022-11-23 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F78
 | | Compound 1 bound to procaspase-6 | | 分子名称: | 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol, CHLORIDE ION, Procaspase-6 | | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | 登録日 | 2022-11-18 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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6VHG
 | | Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrazolo[1,5-a]pyrimidine inhibitor | | 分子名称: | 3-(3,4-dimethoxyphenyl)-N~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine, ACETATE ION, CHLORIDE ION, ... | | 著者 | Lee, C.C, Spraggon, G. | | 登録日 | 2020-01-09 | | 公開日 | 2020-02-26 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.303 Å) | | 主引用文献 | Efficacy and Tolerability of Pyrazolo[1,5-a]pyrimidine RET Kinase Inhibitors for the Treatment of Lung Adenocarcinoma.
Acs Med.Chem.Lett., 11, 2020
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7L4C
 | | Crystal structure of the DRM2-CTT DNA complex | | 分子名称: | DNA (5'-D(*AP*TP*TP*AP*TP*TP*AP*AP*TP*(C49)P*TP*TP*AP*AP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*TP*TP*AP*AP*GP*AP*TP*TP*AP*AP*TP*AP*AP*T)-3'), DNA (cytosine-5)-methyltransferase DRM2, ... | | 著者 | Fang, J, Song, J. | | 登録日 | 2020-12-18 | | 公開日 | 2021-08-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Substrate deformation regulates DRM2-mediated DNA methylation in plants.
Sci Adv, 7, 2021
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7L4H
 | | Crystal structure of the DRM2-CTG DNA complex | | 分子名称: | DNA (5'-D(*AP*TP*TP*CP*CP*TP*AP*AP*TP*(C49)P*TP*GP*AP*AP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*TP*TP*CP*AP*GP*AP*TP*TP*AP*GP*GP*AP*AP*T)-3'), DNA (cytosine-5)-methyltransferase DRM2, ... | | 著者 | Fang, J, Song, J. | | 登録日 | 2020-12-19 | | 公開日 | 2021-08-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | Substrate deformation regulates DRM2-mediated DNA methylation in plants.
Sci Adv, 7, 2021
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7L4K
 | | Crystal structure of the DRM2-CCG DNA complex | | 分子名称: | DNA (5'-D(*AP*TP*TP*CP*CP*TP*AP*AP*TP*(C49)P*CP*GP*AP*AP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*TP*TP*CP*GP*GP*AP*TP*TP*AP*GP*GP*AP*AP*T)-3'), DNA (cytosine-5)-methyltransferase DRM2, ... | | 著者 | Fang, J, Song, J. | | 登録日 | 2020-12-19 | | 公開日 | 2021-08-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Substrate deformation regulates DRM2-mediated DNA methylation in plants.
Sci Adv, 7, 2021
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7L4N
 | | Crystal structure of the DRM2 (C397R)-CCG DNA complex | | 分子名称: | DNA (5'-D(*AP*TP*TP*CP*CP*TP*AP*AP*TP*(C49)P*CP*GP*AP*AP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*TP*TP*CP*GP*GP*AP*TP*TP*AP*GP*GP*AP*AP*T)-3'), DNA (cytosine-5)-methyltransferase DRM2, ... | | 著者 | Fang, J, Song, J. | | 登録日 | 2020-12-19 | | 公開日 | 2021-08-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.247 Å) | | 主引用文献 | Substrate deformation regulates DRM2-mediated DNA methylation in plants.
Sci Adv, 7, 2021
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