PDB: 160289 件ウェブページステータス検索Chemie searchBIRD

---

3FU6	Leukotriene A4 hydrolase in complex with fragment (4-thiophen-2-ylphenyl)methanamine 分子名称: 1-(4-thiophen-2-ylphenyl)methanamine, ACETATE ION, IMIDAZOLE, ... 著者 Davies, D.R. 登録日 2009-01-14 公開日 2009-07-28 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
3FUN	Leukotriene A4 hydrolase in complex with {4-[(2R)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone 分子名称: ACETATE ION, IMIDAZOLE, Leukotriene A-4 hydrolase, ... 著者 Davies, D.R. 登録日 2009-01-14 公開日 2009-07-28 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
4GTS	Engineered RabGGTase in complex with BMS analogue 16 分子名称: 5-{(3R)-3-(4-hydroxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}furan-2-carbaldehyde, CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, ... 著者 Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S. 登録日 2012-08-29 公開日 2012-10-24 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Development of Selective, Potent RabGGTase Inhibitors J.Med.Chem., 55, 2012
3FTS	Leukotriene A4 hydrolase in complex with resveratrol 分子名称: ACETATE ION, IMIDAZOLE, Leukotriene A-4 hydrolase, ... 著者 Davies, D.R. 登録日 2009-01-13 公開日 2009-07-28 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.33 Å) 主引用文献 Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
3FU5	Leukotriene A4 hydrolase in complex with (5-thiophen-2-ylthiophen-2-yl)methylamine 分子名称: 1-(2,2'-bithiophen-5-yl)methanamine, ACETATE ION, IMIDAZOLE, ... 著者 Davies, D.R. 登録日 2009-01-14 公開日 2009-07-28 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
3B1U	Crystal structure of human peptidylarginine deiminase 4 in complex with o-F-amidine 分子名称: 2-{[(2S)-1-amino-5-{[(1Z)-2-fluoroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Protein-arginine deiminase type-4, ... 著者 Causey, C.P, Jones, J.E, Slack, J.L, Kamei, D, Jones Jr, L.E, Subramanian, V, Knuckley, B, Ebrahimi, P, Chumanevich, A.A, Luo, Y, Hashimoto, H, Shimizu, T, Sato, M, Hofseth, L.J, Thompson, P.R. 登録日 2011-07-13 公開日 2011-10-26 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 The Development of N-alpha-(2-Carboxyl)benzoyl-N(5)-(2-fluoro-1-iminoethyl)-l-ornithine Amide (o-F-amidine) and N-alpha-(2-Carboxyl)benzoyl-N(5)-(2-chloro-1-iminoethyl)-l-ornithine Amide (o-Cl-amidine) As Second Generation Protein Arginine Deiminase (PAD) Inhibitors J.Med.Chem., 54, 2011
3FUJ	Leukotriene A4 hydrolase in complex with 5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole 分子名称: 5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole, ACETATE ION, IMIDAZOLE, ... 著者 Davies, D.R. 登録日 2009-01-14 公開日 2009-07-28 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
3FTV	Leukotriene A4 hydrolase in complex with fragment N-(pyridin-3-ylmethyl)aniline 分子名称: IMIDAZOLE, Leukotriene A-4 hydrolase, N-(pyridin-3-ylmethyl)aniline, ... 著者 Davies, D.R. 登録日 2009-01-13 公開日 2009-07-28 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
3FUM	Leukotriene A4 hydrolase in complex with (R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol 分子名称: (R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol, ACETATE ION, IMIDAZOLE, ... 著者 Davies, D.R. 登録日 2009-01-14 公開日 2009-07-28 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
3FRG	Catalytic Domain of Human Phosphodiesterase 4B2B in Complex with a Quinoline Inhibitor 分子名称: 4-[(3-methoxyphenyl)amino]-6-(methylsulfonyl)quinoline-3-carboxamide, ARSENIC, GLYCEROL, ... 著者 Somers, D.O, Neu, M. 登録日 2009-01-08 公開日 2010-01-12 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Quinolines as a novel structural class of potent and selective PDE4 inhibitors: optimisation for oral administration. Bioorg.Med.Chem.Lett., 19, 2009
3FUL	Leukotriene A4 hydrolase in complex with pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone 分子名称: IMIDAZOLE, Leukotriene A-4 hydrolase, YTTERBIUM (III) ION, ... 著者 Davies, D.R. 登録日 2009-01-14 公開日 2010-01-05 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.39 Å) 主引用文献 Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis. J.Med.Chem., 53, 2010
3FUE	Leukotriene A4 hydrolase in complex with fragment 5-chloroindole and bestatin 分子名称: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 5-chloro-1H-indole, IMIDAZOLE, ... 著者 Davies, D.R. 登録日 2009-01-14 公開日 2009-07-28 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.38 Å) 主引用文献 Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
3FTW	Leukotriene A4 hydrolase in complex with fragments N-(pyridin-3-ylmethyl)aniline and acetate 分子名称: ACETATE ION, IMIDAZOLE, Leukotriene A-4 hydrolase, ... 著者 Davies, D.R. 登録日 2009-01-13 公開日 2009-07-28 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
3FUD	Leukotriene A4 hydrolase in complex with N-methyl-1-(2-thiophen-2-ylphenyl)methanamine 分子名称: ACETATE ION, IMIDAZOLE, Leukotriene A-4 hydrolase, ... 著者 Davies, D.R. 登録日 2009-01-14 公開日 2009-07-28 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
4PCI	Crystal Structure of the first bromodomain of BRD4 in complex with B16 分子名称: (4S)-1-methyl-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 著者 Dong, J, Caflisch, A. 登録日 2014-04-15 公開日 2014-05-14 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking. Bioorg.Med.Chem.Lett., 24, 2014
2ZI7	C4S dCK variant of dCK in complex with D-dG+UDP 分子名称: 2'-DEOXY-GUANOSINE, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE 著者 Sabini, E, Lavie, A. 登録日 2008-02-13 公開日 2008-07-08 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Elucidation of different binding modes of purine nucleosides to human deoxycytidine kinase J.Med.Chem., 51, 2008
3ERN	Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with AraCMP 分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTOSINE ARABINOSE-5'-PHOSPHATE, GERANYL DIPHOSPHATE, ... 著者 Hunter, W.N, Ramsden, N.L, Kemp, L.A. 登録日 2008-10-02 公開日 2009-08-25 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy J.Med.Chem., 52, 2009
3ESJ	Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand 分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-amino-1-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1H)-one, GERANYL DIPHOSPHATE, ... 著者 Hunter, W.N, Ramsden, N.L. 登録日 2008-10-06 公開日 2009-08-25 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy J.Med.Chem., 52, 2009
3BKI	Crystal Structure of the GluR2 ligand binding core (S1S2J) in complex with FQX at 1.87 Angstroms 分子名称: Glutamate receptor 2, [1,2,5]oxadiazolo[3,4-g]quinoxaline-6,7(5H,8H)-dione 1-oxide 著者 Cruz, L, Estebanez-Perpina, E, Pfaff, S, Borngraeber, S, Bao, N, Fletterick, R, England, P. 登録日 2007-12-06 公開日 2008-09-16 最終更新日 2019-09-04 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 6-Azido-7-nitro-1,4-dihydroquinoxaline-2,3-dione (ANQX) forms an irreversible bond to the active site of the GluR2 AMPA receptor. J.Med.Chem., 51, 2008
3B1T	Crystal structure of human peptidylarginine deiminase 4 in complex with o-Cl-amidine 分子名称: 2-{[(2S)-1-amino-5-{[(1Z)-2-chloroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Protein-arginine deiminase type-4, ... 著者 Causey, C.P, Jones, J.E, Slack, J.L, Kamei, D, Jones Jr, L.E, Subramanian, V, Knuckley, B, Ebrahimi, P, Chumanevich, A.A, Luo, Y, Hashimoto, H, Shimizu, T, Sato, M, Hofseth, L.J, Thompson, P.R. 登録日 2011-07-13 公開日 2011-10-26 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 The Development of N-alpha-(2-Carboxyl)benzoyl-N(5)-(2-fluoro-1-iminoethyl)-l-ornithine Amide (o-F-amidine) and N-alpha-(2-Carboxyl)benzoyl-N(5)-(2-chloro-1-iminoethyl)-l-ornithine Amide (o-Cl-amidine) As Second Generation Protein Arginine Deiminase (PAD) Inhibitors J.Med.Chem., 54, 2011
3EOR	Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand 分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, GERANYL DIPHOSPHATE, SODIUM ION, ... 著者 Hunter, W.N, Ramsden, N.L, Dawson, A. 登録日 2008-09-29 公開日 2009-08-25 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy J.Med.Chem., 52, 2009
4G2J	Human pde9 in complex with selective compound 分子名称: 1-cyclopentyl-6-[(1R)-1-(3-phenoxyazetidin-1-yl)ethyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... 著者 Liu, S. 登録日 2012-07-12 公開日 2013-05-29 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors. J.Med.Chem., 55, 2012
3FBA	Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand 分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, GERANYL DIPHOSPHATE, GLYCEROL, ... 著者 Hunter, W.N, Ramsden, N.L. 登録日 2008-11-19 公開日 2009-08-25 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy J.Med.Chem., 52, 2009
3FHE	Leukotriene A4 Hydrolase complexed with inhibitor N-[3-(4-benzylphenoxy)propyl]-N-methyl-beta-alanine. 分子名称: ACETATE ION, IMIDAZOLE, Leukotriene A-4 hydrolase, ... 著者 Mamat, B, Davies, D.R. 登録日 2008-12-09 公開日 2010-01-05 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.16 Å) 主引用文献 Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis. J.Med.Chem., 53, 2010
4FCB	Potent and Selective Phosphodiesterase 10A Inhibitors 分子名称: 3,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxaline, MAGNESIUM ION, ZINC ION, ... 著者 Parris, K.D. 登録日 2012-05-24 公開日 2012-09-05 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Novel triazines as potent and selective phosphodiesterase 10A inhibitors. Bioorg.Med.Chem.Lett., 22, 2012

<245246247248249250251252253254255256257258259260>