PDB: 47065 件ウェブページステータス検索Chemie searchBIRD

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4Y36	Endothiapepsin in complex with fragment 4 分子名称: 1,2-ETHANEDIOL, 3-methylbenzohydrazide, Endothiapepsin, ... 著者 Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
2P1N	Mechanism of Auxin Perception by the TIR1 Ubiqutin Ligase 分子名称: (2,4-DICHLOROPHENOXY)ACETIC ACID, Auxin-responsive protein IAA7, INOSITOL HEXAKISPHOSPHATE, ... 著者 Tan, X, Calderon-Villalobos, L.I.A, Sharon, M, Robinson, C.V, Estelle, M, Zheng, C, Zheng, N. 登録日 2007-03-06 公開日 2007-04-10 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Mechanism of auxin perception by the TIR1 ubiquitin ligase Nature, 446, 2007
4Y2V	Structure of soluble epoxide hydrolase in complex with (4-bromo-3-cyclopropyl-1H-pyrazol-1-yl)acetic acid 分子名称: (4-bromo-3-cyclopropyl-1H-pyrazol-1-yl)acetic acid, Bifunctional epoxide hydrolase 2, MAGNESIUM ION 著者 Amano, Y, Yamaguchi, T. 登録日 2015-02-10 公開日 2015-05-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening Bioorg.Med.Chem., 23, 2015
2P1O	Mechanism of Auxin Perception by the TIR1 ubiquitin ligase 分子名称: Auxin-responsive protein IAA7, INOSITOL HEXAKISPHOSPHATE, NAPHTHALEN-1-YL-ACETIC ACID, ... 著者 Tan, X, Calderon-Villalobos, L.I.A, Sharon, M, Robinson, C.V, Estelle, M, Zheng, N. 登録日 2007-03-06 公開日 2007-04-10 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Mechanism of auxin perception by the TIR1 ubiquitin ligase Nature, 446, 2007
4Y39	Endothiapepsin in complex with fragment 75 分子名称: 1,2-ETHANEDIOL, 4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide, ACETATE ION, ... 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
5V8W	Crystal structure of human Integrator IntS9-IntS11 CTD complex 分子名称: Integrator complex subunit 11, Integrator complex subunit 9 著者 Wu, Y, Tong, L. 登録日 2017-03-22 公開日 2017-04-12 最終更新日 2020-01-01 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Molecular basis for the interaction between Integrator subunits IntS9 and IntS11 and its functional importance. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4Y3G	Endothiapepsin in complex with fragment 285 分子名称: Endothiapepsin, GLYCEROL, N-[3-(aminomethyl)phenyl]acetamide 著者 Krimmer, S.G, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 実験手法 X-RAY DIFFRACTION (1.13 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y3X	Endothiapepsin in complex with fragment 171 分子名称: 4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Krimmer, S.G, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y4A	Endothiapepsin in complex with fragment 286 分子名称: 5-(aminomethyl)-2-methoxyphenol, ACETATE ION, Endothiapepsin, ... 著者 Wang, X, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-03-02 実験手法 X-RAY DIFFRACTION (1.278 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
5UV5	Crystal Structure of a 2-Hydroxyisoquinoline-1,3-dione RNase H Active Site Inhibitor with Multiple Binding Modes to HIV Reverse Transcriptase 分子名称: 7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ... 著者 Kirby, K.A, Sarafianos, S.G. 登録日 2017-02-19 公開日 2017-08-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 A 2-Hydroxyisoquinoline-1,3-Dione Active-Site RNase H Inhibitor Binds in Multiple Modes to HIV-1 Reverse Transcriptase. Antimicrob. Agents Chemother., 61, 2017
6AV4	Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-Methyl-6-(2-(5-(4-((methylamino)methyl)phenyl)pyridin-3-yl)ethyl)pyridin-2-amine 分子名称: 4-methyl-6-[2-(5-{4-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... 著者 Li, H, Poulos, T.L. 登録日 2017-09-01 公開日 2018-07-11 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.867 Å) 主引用文献 Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J. Med. Chem., 60, 2017
4Y3K	Structure of Vaspin mutant E379S 分子名称: 1,2-ETHANEDIOL, SULFATE ION, Serpin A12 著者 Pippel, J, Strater, N, Ulbricht, D, Schultz, S, Meier, R, Heiker, J.T. 登録日 2015-02-10 公開日 2015-08-12 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 A unique serpin P1' glutamate and a conserved beta-sheet C arginine are key residues for activity, protease recognition and stability of serpinA12 (vaspin). Biochem.J., 470, 2015
2P79	Crystal structure of TTHB049 from Thermus thermophilus HB8 分子名称: Alpha-ribazole-5'-phosphate phosphatase, GLYCEROL, SODIUM ION 著者 Sugahara, M, Taketa, M, Kageyama, Y, Matsuura, Y, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) 登録日 2007-03-20 公開日 2007-09-25 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Crystal structure of TTHB049 from Thermus thermophilus HB8 To be Published
5VAR	Crystal structure of KDM4A tandem TUDOR domain in complex with a tri-methyl lysine competitive inhibitor 分子名称: (1R,2S,3R,4S)-3-[(dimethylamino)methyl]-1-phenylbicyclo[2.2.1]heptan-2-ol, Lysine-specific demethylase 4A 著者 Judge, R.A, Upadhyay, A.K. 登録日 2017-03-27 公開日 2018-03-28 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Targeting lysine specific demethylase 4A (KDM4A) tandem TUDOR domain - A fragment based approach. Bioorg. Med. Chem. Lett., 28, 2018
4Y3P	Endothiapepsin in complex with fragment 17 分子名称: 1-(6-methylpyrimidin-4-yl)azepane, Endothiapepsin, GLYCEROL 著者 Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y42	Cyanase (CynS) from Serratia proteamaculans 分子名称: Cyanate hydratase, GLYCEROL 著者 Butryn, A, Hopfner, K.-P. 登録日 2015-02-10 公開日 2015-04-08 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Serendipitous crystallization and structure determination of cyanase (CynS) from Serratia proteamaculans Acta Crystallogr.,Sect.F, 71, 2015
6ASW	STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 9.0 分子名称: 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA (27-MER), DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DDG))-3'), ... 著者 Martinez, S.E, Das, K, Arnold, E. 登録日 2017-08-25 公開日 2018-08-15 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.605 Å) 主引用文献 Structure of HIV-1 reverse transcriptase/d4TTP complex: Novel DNA cross-linking site and pH-dependent conformational changes. Protein Sci., 28, 2019
4Y3M	Endothiapepsin in complex with fragment 103 分子名称: 2-(4-fluorophenyl)acetohydrazide, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
2P88	Crystal structure of N-succinyl Arg/Lys racemase from Bacillus cereus ATCC 14579 分子名称: MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme family protein 著者 Fedorov, A.A, Song, L, Fedorov, E.V, Gerlt, J.A, Almo, S.C. 登録日 2007-03-22 公開日 2007-07-03 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Prediction and assignment of function for a divergent N-succinyl amino acid racemase. Nat.Chem.Biol., 3, 2007
4Y41	Endothiapepsin in complex with fragment 112 分子名称: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine, 1,2-ETHANEDIOL, ACETATE ION, ... 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.403 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
6AYB	Naegleria fowleri CYP51-ketoconazole complex 分子名称: 1,2-ETHANEDIOL, 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, CALCIUM ION, ... 著者 Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M. 登録日 2017-09-08 公開日 2017-11-22 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM). PLoS Negl Trop Dis, 11, 2017
4Y4G	Endothiapepsin in complex with fragment B53 分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... 著者 Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.439 Å) 主引用文献 Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library. Acta Crystallogr.,Sect.F, 72, 2016
4Y4T	Endothiapepsin in complex with fragment 114 分子名称: 1,2-ETHANEDIOL, 3-amino-5-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile, ACETATE ION, ... 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2015-02-11 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.301 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y54	Endothiapepsin in complex with fragment 56 分子名称: (2R)-(3-chlorophenyl)(hydroxy)ethanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ... 著者 Radeva, N, Heine, A, Klebe, G. 登録日 2015-02-11 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y5E	Endothiapepsin in complex with fragment 268 分子名称: (2R)-N-(trans-4-methylcyclohexyl)tetrahydrofuran-2-carboxamide, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Wang, X, Heine, A, Klebe, G. 登録日 2015-02-11 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.116 Å) 主引用文献 Crystallographic Fragment Sreening of an Entire Library to be published

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