PDB: 224004 件ウェブページステータス検索Chemie searchBIRD

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4U7A	The carboxy-terminal domain of Erb1 is a seven-bladed beta-propeller that binds RNA. 分子名称: 1,2-ETHANEDIOL, ETHANOL, GLYCEROL, ... 著者 Wegrecki, M, Bravo, J. 登録日 2014-07-30 公開日 2015-04-29 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 The Carboxy-Terminal Domain of Erb1 Is a Seven-Bladed -Propeller that Binds RNA. Plos One, 10, 2015
7NGR	Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound 分子名称: 4-methyl-~{N}-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide, HTH-type transcriptional regulator EthR 著者 Tomlinson, C.W.E, Tatum, N.J, Pohl, E. 登録日 2021-02-09 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization To Be Published
7NGS	Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound 分子名称: 4-methyl-~{N}-pentyl-piperidine-1-carboxamide, HTH-type transcriptional regulator EthR 著者 Tomlinson, C.W.E, Tatum, N.J, Pohl, E. 登録日 2021-02-09 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization To Be Published
7NGX	Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound 分子名称: 4-methyl-~{N}-undecyl-pyridine-1-carboxamide, HTH-type transcriptional regulator EthR 著者 Tomlinson, C.W.E, Tatum, N.J, Pohl, E. 登録日 2021-02-09 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization To Be Published
7NGK	Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound 分子名称: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-cyclohexyl-4-methyl-piperidine-1-carboxamide 著者 Tomlinson, C.W.E, Tatum, N.J, Pohl, E. 登録日 2021-02-09 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization To Be Published
7NGT	Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound 分子名称: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-butyl-4-methyl-piperidine-1-carboxamide 著者 Tomlinson, C.W.E, Tatum, N.J, Pohl, E. 登録日 2021-02-09 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.49 Å) 主引用文献 Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization To Be Published
7NGN	Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound 分子名称: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-cycloheptyl-4-methyl-piperidine-1-carboxamide 著者 Tomlinson, C.W.E, Tatum, N.J, Pohl, E. 登録日 2021-02-09 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization To Be Published
7NGU	Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound 分子名称: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-(4-methoxyphenyl)-4-methyl-piperidine-1-carboxamide 著者 Tomlinson, C.W.E, Tatum, N.J, Pohl, E. 登録日 2021-02-09 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.26 Å) 主引用文献 Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization To Be Published
7NGG	Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound 分子名称: HTH-type transcriptional regulator EthR, ~{N}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide 著者 Tomlinson, C.W.E, Tatum, N.J, Pohl, E. 登録日 2021-02-09 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.17 Å) 主引用文献 Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization To Be Published
4UBQ	Crystal Structure of IMP-2 Metallo-beta-Lactamase from Acinetobacter spp. 分子名称: ACETATE ION, Beta-lactamase, ZINC ION 著者 Yamaguchi, Y, Matsueda, S, Matsunaga, K, Takashio, N, Toma-Fukai, S, Yamagata, Y, Shibata, N, Wachino, J, Shibayama, K, Arakawa, Y, Kurosaki, H. 登録日 2014-08-13 公開日 2014-12-24 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structure of IMP-2 metallo-beta-lactamase from Acinetobacter spp.: comparison of active-site loop structures between IMP-1 and IMP-2. Biol.Pharm.Bull., 38, 2015
7NGM	Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound 分子名称: 4-methyl-~{N}-[(1~{R})-1-phenylethyl]piperidine-1-carboxamide, HTH-type transcriptional regulator EthR 著者 Tomlinson, C.W.E, Tatum, N.J, Pohl, E. 登録日 2021-02-09 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization To Be Published
4UF1	Deerpox virus DPV022 in complex with Bak BH3 分子名称: Antiapoptotic membrane protein, Bcl-2 homologous antagonist/killer, SULFATE ION 著者 Burton, D.R, Kvansakul, M. 登録日 2014-12-23 公開日 2015-08-05 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural Basis of Deerpox Virus-Mediated Inhibition of Apoptosis. Acta Crystallogr.,Sect.D, 71, 2015
7NGI	Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound 分子名称: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-[2-(2-fluorophenyl)ethyl]-4-methyl-piperidine-1-carboxamide 著者 Tomlinson, C.W.E, Tatum, N.J, Pohl, E. 登録日 2021-02-09 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization To Be Published
4UIE	Crystal structure of the S-layer protein SbsC, domains 7, 8 and 9 分子名称: CALCIUM ION, OSMIUM ION, SURFACE LAYER PROTEIN 著者 Pavkov-Keller, T, Dordic, A, Egelseer, E.M, Sleytr, U.B, Keller, W. 登録日 2015-03-27 公開日 2016-04-13 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Crystal Structure of the S-Layer Protein Sbsc To be Published
7NGY	Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound 分子名称: 4-methyl-~{N}-[(~{E})-oct-5-enyl]piperidine-1-carboxamide, HTH-type transcriptional regulator EthR 著者 Tomlinson, C.W.E, Tatum, N.J, Pohl, E. 登録日 2021-02-09 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.27 Å) 主引用文献 Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization To Be Published
7NGW	Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound 分子名称: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-(4-hydroxyphenyl)-4-methyl-piperidine-1-carboxamide 著者 Tomlinson, C.W.E, Tatum, N.J, Pohl, E. 登録日 2021-02-09 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.26 Å) 主引用文献 Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization To Be Published
4UPO	Structure of rat neuronal nitric oxide synthase heme domain in complex with N-[3-({[(3S,5S)-5-{[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}methyl)phenyl]thiophene-2-carboximidamide 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-[3-({[(3S,5S)-5-{[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}methyl)phenyl]thiophene-2-carboximidamide, ... 著者 Li, H, Poulos, T.L. 登録日 2014-06-17 公開日 2014-08-20 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase. Bioorg.Med.Chem.Lett., 24, 2014
7ZI0	Structure of human Smoothened in complex with cholesterol and SAG 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide, CHOLESTEROL, ... 著者 Byrne, E.F.X, Woolley, R.E, Ansell, B, Sansom, M.S.P, Newstead, S, Siebold, C. 登録日 2022-04-07 公開日 2022-06-15 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Patched 1 regulates Smoothened by controlling sterol binding to its extracellular cysteine-rich domain. Sci Adv, 8, 2022
1AXY	ERYTHRINA CORALLODENDRON LECTIN 分子名称: CALCIUM ION, LECTIN, MANGANESE (II) ION, ... 著者 Shaanan, B, Elgavish, S. 登録日 1997-10-24 公開日 1998-05-06 最終更新日 2023-08-02 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structures of the Erythrina corallodendron lectin and of its complexes with mono- and disaccharides. J.Mol.Biol., 277, 1998
4UOI	Unexpected structure for the N-terminal domain of Hepatitis C virus envelope glycoprotein E1 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GENOME POLYPROTEIN 著者 El Omari, K, Iourin, O, Kadlec, J, Harlos, K, Grimes, J.M, Stuart, D.I. 登録日 2014-06-04 公開日 2014-08-20 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (3.49 Å) 主引用文献 Unexpected Structure for the N-Terminal Domain of Hepatitis C Virus Envelope Glycoprotein E1 Acta Crystallogr.,Sect.D, 70, 2014
1B0E	CRYSTAL STRUCTURE OF PORCINE PANCREATIC ELASTASE WITH MDL 101,146 分子名称: 1-{3-METHYL-2-[4-(MORPHOLINE-4-CARBONYL)-BENZOYLAMINO]-BUTYRYL}-PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-AMIDE, CALCIUM ION, PROTEIN (ELASTASE) 著者 Schreuder, H.A, Metz, W.A, Peet, N.P, Pelton, J.T, Tardif, C. 登録日 1998-11-09 公開日 1998-11-18 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Inhibition of human neutrophil elastase. 4. Design, synthesis, X-ray crystallographic analysis, and structure-activity relationships for a series of P2-modified, orally active peptidyl pentafluoroethyl ketones. J.Med.Chem., 41, 1998
7NIJ	SARS-CoV-2 main protease (Mpro) in a novel conformational state. 分子名称: 3C-like proteinase nsp5 著者 Battistutta, R, Fornasier, E, Giachin, G. 登録日 2021-02-12 公開日 2022-03-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 A new inactive conformation of SARS-CoV-2 main protease. Acta Crystallogr D Struct Biol, 78, 2022
4UG6	Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine) 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine), CHLORIDE ION, ... 著者 Holden, J.K, Poulos, T.L. 登録日 2015-03-22 公開日 2015-06-24 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
1AQ0	BARLEY 1,3-1,4-BETA-GLUCANASE IN MONOCLINIC SPACE GROUP 分子名称: 1,3-1,4-BETA-GLUCANASE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION 著者 Mueller, J.J, Thomsen, K.K, Heinemann, U. 登録日 1997-08-05 公開日 1998-02-11 最終更新日 2023-08-02 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structure of barley 1,3-1,4-beta-glucanase at 2.0-A resolution and comparison with Bacillus 1,3-1,4-beta-glucanase. J.Biol.Chem., 273, 1998
7NL1	Crystal structure of cystathionine gamma-lyase from Toxoplasma gondii 分子名称: Cystathione gamma lyase, putative, PYRIDOXAL-5'-PHOSPHATE 著者 Fernandez-Rodriguez, C, Conter, C, Recio, I, Astegno, A, Martinez-Cruz, L.A. 登録日 2021-02-22 公開日 2022-03-02 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.331 Å) 主引用文献 Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine. Protein Sci., 32, 2023

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