PDB: 83529 件ウェブページステータス検索Chemie searchBIRD

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8OZZ	PH domain of AKT-like kinase in Trypanosoma cruzi 分子名称: PH domain of Akt-like kinase in Trypanosoma cruzi 著者 Stadler, K.A, Ortiz-Joya, L.J, Zangger, K, Gubensaek, N. 登録日 2023-05-09 公開日 2024-05-08 実験手法 SOLUTION NMR 主引用文献 Structural investigation of Trypanosoma cruzi Akt-like kinase as drug target against Chagas disease. Sci Rep, 14, 2024
1QKY	Solution structure of PI7, a non toxic peptide isolated from the scorpion Pandinus Imperator. 分子名称: TOXIN 7 FROM PANDINUS IMPERATOR 著者 Delepierre, M, Prochnicka-Chalufour, A, Boisbouvier, J, Possani, L.D. 登録日 1999-08-17 公開日 2000-02-03 最終更新日 2020-01-15 実験手法 SOLUTION NMR 主引用文献 Pi7, an orphan peptide from the scorpion Pandinus imperator: a 1H-NMR analysis using a nano-NMR Probe. Biochemistry, 38, 1999
1HCY	CRYSTAL STRUCTURE OF HEXAMERIC HAEMOCYANIN FROM PANULIRUS INTERRUPTUS REFINED AT 3.2 ANGSTROMS RESOLUTION 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARTHROPODAN HEMOCYANIN, COPPER (II) ION 著者 Volbeda, A, Hol, W.G.J. 登録日 1991-05-15 公開日 1994-01-31 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Crystal structure of hexameric haemocyanin from Panulirus interruptus refined at 3.2 A resolution. J.Mol.Biol., 209, 1989
1STM	SATELLITE PANICUM MOSAIC VIRUS 分子名称: SATELLITE PANICUM MOSAIC VIRUS 著者 Ban, N, McPherson, A. 登録日 1995-07-12 公開日 1997-01-27 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 The structure of satellite panicum mosaic virus at 1.9 A resolution. Nat.Struct.Biol., 2, 1995
1TFU	phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis 分子名称: Phosphopantetheine adenylyltransferase 著者 Morris, V.K, Izard, T, TB Structural Genomics Consortium (TBSGC) 登録日 2004-05-27 公開日 2004-09-14 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Substrate-induced asymmetry and channel closure revealed by the apoenzyme structure of Mycobacterium tuberculosis phosphopantetheine adenylyltransferase. Protein Sci., 13, 2004
5O19	Japanese encephalitis virus non-structural protein 1 C-terminal domain 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Genome polyprotein, SULFATE ION 著者 Poonsiri, T, Wright, G.S.A, Antonyuk, S.V. 登録日 2017-05-18 公開日 2018-01-24 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural Study of the C-Terminal Domain of Nonstructural Protein 1 from Japanese Encephalitis Virus. J. Virol., 92, 2018
4H6O	Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in complex with the inhibitor NEU321 (1-(3-(4-chloro-3,5-dimethylphenoxy)benzyl)-1H-imidazole 分子名称: 1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1H-imidazole, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha demethylase 著者 Wawrzak, Z, Hargrove, T.Y, Pollastri, M.P, Lepesheva, G.I. 登録日 2012-09-19 公開日 2013-03-20 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Antitrypanosomal Lead Discovery: Identification of a Ligand-Efficient Inhibitor of Trypanosoma cruzi CYP51 and Parasite Growth. J.Med.Chem., 56, 2013
7UL4	CryoEM Structure of Inactive MOR Bound to Alvimopan and Mb6 分子名称: Megabody 6, Mu-type opioid receptor, N-[(2S)-2-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl}-3-phenylpropanoyl]glycine 著者 Robertson, M.J, Skiniotis, G. 登録日 2022-04-03 公開日 2022-06-29 最終更新日 2024-10-09 実験手法 ELECTRON MICROSCOPY (2.8 Å) 主引用文献 Structure determination of inactive-state GPCRs with a universal nanobody. Nat.Struct.Mol.Biol., 29, 2022
4MQ6	Pantothenate synthase in complex with 2-(5-methoxy-2-(tosylcarbamoyl)-1H-indol-1-yl)acetic acid 分子名称: (5-methoxy-2-{[(4-methylphenyl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid, 1,2-ETHANEDIOL, ETHANOL, ... 著者 Silvestre, H.L, Blundell, T.L. 登録日 2013-09-15 公開日 2014-08-27 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis. Chemmedchem, 11, 2016
5SA2	PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1148747945 分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Fiorillo, A, Ilari, A. 登録日 2021-05-18 公開日 2022-06-15 最終更新日 2023-03-01 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design. Front Mol Biosci, 9, 2022
5S9S	PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434898 分子名称: 1-(phenylmethyl)-4-pyrrol-1-yl-piperidine, BROMIDE ION, DIMETHYL SULFOXIDE, ... 著者 Fiorillo, A, Ilari, A. 登録日 2021-05-18 公開日 2022-06-15 最終更新日 2023-03-01 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design. Front Mol Biosci, 9, 2022
5S9X	PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1899842917 分子名称: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one, BROMIDE ION, DIMETHYL SULFOXIDE, ... 著者 Fiorillo, A, Ilari, A. 登録日 2021-05-18 公開日 2022-06-15 最終更新日 2023-03-01 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design. Front Mol Biosci, 9, 2022
5S9W	PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z26769872 分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Fiorillo, A, Ilari, A. 登録日 2021-05-18 公開日 2022-06-15 最終更新日 2023-03-01 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design. Front Mol Biosci, 9, 2022
5SA1	PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434944 分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Fiorillo, A, Ilari, A. 登録日 2021-05-18 公開日 2022-06-15 最終更新日 2023-03-01 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design. Front Mol Biosci, 9, 2022
5S9T	PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1614545742 分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Fiorillo, A, Ilari, A. 登録日 2021-05-18 公開日 2022-06-15 最終更新日 2023-03-01 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design. Front Mol Biosci, 9, 2022
5S9Z	PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434884 分子名称: 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one, BROMIDE ION, DIMETHYL SULFOXIDE, ... 著者 Fiorillo, A, Ilari, A. 登録日 2021-05-18 公開日 2022-06-15 最終更新日 2023-03-01 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design. Front Mol Biosci, 9, 2022
5S9Y	PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z24758179 分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Fiorillo, A, Ilari, A. 登録日 2021-05-18 公開日 2022-06-15 最終更新日 2023-03-01 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design. Front Mol Biosci, 9, 2022
5QOS	PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1187701032 分子名称: (3S)-N-(pyrimidin-2-yl)azepan-3-amine, 1,2-ETHANEDIOL, ACETATE ION, ... 著者 Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. 登録日 2019-02-22 公開日 2019-05-08 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5QJP	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1578665941 分子名称: 1,2-ETHANEDIOL, 1-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane, ADP-sugar pyrophosphatase, ... 著者 Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. 登録日 2018-10-31 公開日 2018-12-19 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
5QR2	PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1348371854 分子名称: 5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile, 5-aminolevulinate synthase, erythroid-specific, ... 著者 Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W. 登録日 2019-05-22 公開日 2019-08-07 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5QRO	PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z1506050651 分子名称: (1S)-N,2,2-trimethyl-N-(pyridin-3-yl)cyclopropane-1-carboxamide, CADMIUM ION, T-box transcription factor T 著者 Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2019-05-25 公開日 2019-07-10 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5QQU	PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1348371854 分子名称: 5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile, 5-aminolevulinate synthase, erythroid-specific, ... 著者 Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W. 登録日 2019-05-22 公開日 2019-08-07 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5QXW	PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with RZ189 分子名称: (5R)-N-benzyl-5-ethyl-1-methyl-1,4-diazepane-5-carboxamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... 著者 Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. 登録日 2020-02-11 公開日 2020-04-08 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
5QXY	PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with JKH93A 分子名称: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... 著者 Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. 登録日 2020-02-11 公開日 2020-04-08 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
5R53	PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13854a 分子名称: DIMETHYL SULFOXIDE, Uridine diphosphate glucose pyrophosphatase NUDT22, ~{N}-[(3~{R})-2-oxidanylideneazepan-3-yl]furan-2-carboxamide 著者 Diaz-Saez, L, Talon, R, Krojer, T, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K.V.M. 登録日 2020-02-28 公開日 2020-07-01 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 PanDDA analysis group deposition To Be Published

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