PDB: 12060 件ウェブページステータス検索Chemie searchBIRD

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7RVT	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI20 分子名称: 3C-like proteinase, N~2~-[(2S)-2-{[(benzyloxy)carbonyl]amino}-2-cyclopropylacetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide 著者 Yang, K, Sankaran, B, Liu, W. 登録日 2021-08-19 公開日 2022-07-20 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
4LNG	Aspergillus fumigatus protein farnesyltransferase complex with farnesyldiphosphate and tipifarnib 分子名称: 1,2-ETHANEDIOL, 6-[(S)-AMINO(4-CHLOROPHENYL)(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-2(1H)-ONE, CaaX farnesyltransferase alpha subunit Ram2, ... 著者 Mabanglo, M.F, Hast, M.A, Beese, L.S. 登録日 2013-07-11 公開日 2014-01-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.905 Å) 主引用文献 Crystal structures of the fungal pathogen Aspergillus fumigatus protein farnesyltransferase complexed with substrates and inhibitors reveal features for antifungal drug design. Protein Sci., 23, 2014
4LNB	Aspergillus fumigatus protein farnesyltransferase ternary complex with farnesyldiphosphate and ethylenediamine scaffold inhibitor 5 分子名称: 1,2-ETHANEDIOL, CaaX farnesyltransferase alpha subunit Ram2, CaaX farnesyltransferase beta subunit Ram1, ... 著者 Mabanglo, M.F, Hast, M.A, Beese, L.S. 登録日 2013-07-11 公開日 2014-01-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.752 Å) 主引用文献 Crystal structures of the fungal pathogen Aspergillus fumigatus protein farnesyltransferase complexed with substrates and inhibitors reveal features for antifungal drug design. Protein Sci., 23, 2014
5Y5T	Crystal structures of spleen tyrosine kinase in complex with a novel inhibitor 分子名称: 2-[[(1S,2S)-2-azanylcyclohexyl]amino]-4-[(4-methylsulfonylphenyl)amino]-6H-pyrido[4,3-d]pyrimidin-5-one, Tyrosine-protein kinase SYK 著者 Lee, S.J, Lee, B.I. 登録日 2017-08-09 公開日 2018-06-27 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal Structures of Spleen Tyrosine Kinase in Complex with Two Novel 4-Aminopyrido[4,3-d] Pyrimidine Derivative Inhibitors. Mol. Cells, 41, 2018
4MBG	Crystal structure of Aspergillus fumigatus protein farnesyltransferase binary complex with farnesyldiphosphate 分子名称: 1,2-ETHANEDIOL, CaaX farnesyltransferase alpha subunit Ram2, CaaX farnesyltransferase beta subunit Ram1, ... 著者 Mabanglo, M.F, Hast, M.A, Beese, L.S. 登録日 2013-08-19 公開日 2014-01-01 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Crystal structures of the fungal pathogen Aspergillus fumigatus protein farnesyltransferase complexed with substrates and inhibitors reveal features for antifungal drug design. Protein Sci., 23, 2014
4MHS	Crystal structure of Gpb in complex with SUGAR (N-[(2E)-3-(BIPHENYL-4-YL)PROP-2-ENOYL]-BETA-D-GLUCOPYRANOSYLAMINE 分子名称: DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ... 著者 Kantsadi, L.A, Chatzileontiadou, S.M.D, Leonidas, D.D. 登録日 2013-08-30 公開日 2014-07-23 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-beta-d-glucopyranosylamines. Bioorg.Med.Chem., 22, 2014
4L9P	Crystal structure of Aspergillus fumigatus protein farnesyltransferase complexed with the FII analog, FPT-II, and the KCVVM peptide 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, CaaX farnesyltransferase alpha subunit Ram2, ... 著者 Mabanglo, M.F, Hast, M.A, Beese, L.S. 登録日 2013-06-18 公開日 2014-01-01 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Crystal structures of the fungal pathogen Aspergillus fumigatus protein farnesyltransferase complexed with substrates and inhibitors reveal features for antifungal drug design. Protein Sci., 23, 2014
4NAI	Arabidopsis thaliana IspD apo 分子名称: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, CADMIUM ION, ... 著者 Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F. 登録日 2013-10-22 公開日 2014-01-29 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD. Angew.Chem.Int.Ed.Engl., 53, 2014
4NAK	Arabidopsis thaliana IspD in complex with pentabromo-pseudilin 分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ... 著者 Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F. 登録日 2013-10-22 公開日 2014-01-29 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD. Angew.Chem.Int.Ed.Engl., 53, 2014
4NAN	Arabidopsis thaliana IspD in complex with tetrabromo-pseudilin 分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ... 著者 Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F. 登録日 2013-10-22 公開日 2014-01-29 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD. Angew.Chem.Int.Ed.Engl., 53, 2014
5PT4	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 148) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5POE	PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10188a and N07807b 分子名称: 1,2-ETHANEDIOL, 1-methyl-4-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole, 6-amino-1-methylquinolin-2(1H)-one, ... 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-15 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.518 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5POQ	PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10974a 分子名称: 1,2-ETHANEDIOL, 1-[4-(methylsulfonyl)piperazin-1-yl]ethan-1-one, Bromodomain-containing protein 1, ... 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-15 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PNX	PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10128a 分子名称: 1,2-ETHANEDIOL, 5-methyl-1,2-oxazol-3-amine, Bromodomain-containing protein 1, ... 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-15 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PP1	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 1) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PO8	PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N07808b 分子名称: 1,2-ETHANEDIOL, 6-amino-1-methyl-3,4-dihydroquinolin-2(1H)-one, Bromodomain-containing protein 1, ... 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-15 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PQ8	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 45) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5POS	PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10919a 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, N-[(4-methoxyphenyl)methyl]acetamide, ... 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-15 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PP3	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 3) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.58 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PPL	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 22) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PPR	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 28) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-29 最終更新日 2017-10-04 実験手法 X-RAY DIFFRACTION (2.69 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PPY	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 35) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PQ6	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 43) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PQI	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 55) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.33 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PQY	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 71) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017

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