6XQW
 
 | |
3VB3
 | |
3VSO
 | | Human PPAR gamma ligand binding domain in complex with a gamma selective agonist mekt21 | | 分子名称: | (2R)-2-benzyl-3-[4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)phenyl]propanoic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Oyama, T, Waku, T, Ohashi, M, Morikawa, K, Miyachi, H. | | 登録日 | 2012-04-30 | | 公開日 | 2013-05-01 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design and synthesis of a series of alpha-benzyl phenylpropanoic acid-type peroxisome proliferator-activated receptor (PPAR) gamma partial agonists with improved aqueous solubility
Bioorg.Med.Chem., 21, 2013
|
|
1RE1
 | |
5E1E
 | |
4WLB
 | | Crystal structure of RORc in complex with a partial inverse agonist compound | | 分子名称: | L(+)-TARTARIC ACID, N-(4-fluorobenzyl)-N-(2-methylpropyl)-6-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyridine-3-sulfonamide, Nuclear receptor ROR-gamma, ... | | 著者 | Boenig, G, Hymowitz, S.G, Kiefer, J.R. | | 登録日 | 2014-10-07 | | 公開日 | 2014-11-12 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.702 Å) | | 主引用文献 | A reversed sulfonamide series of selective RORc inverse agonists.
Bioorg.Med.Chem.Lett., 24, 2014
|
|
1IJR
 | | Crystal structure of LCK SH2 complexed with nonpeptide phosphotyrosine mimetic | | 分子名称: | (4-{2-ACETYLAMINO-2-[1-(3-CARBAMOYL-4-CYCLOHEXYLMETHOXY-PHENYL)-ETHYLCARBAMOYL}-ETHYL}-2-PHOSPHONO-PHENOXY)-ACETIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE LCK | | 著者 | Kawahata, N.H, Yang, M.H, Luke, G.P, Shakespeare, W.C, Sundaramoorthi, R. | | 登録日 | 2001-04-27 | | 公開日 | 2002-05-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | A novel phosphotyrosine mimetic 4'-carboxymethyloxy-3'-phosphonophenylalanine (Cpp): exploitation in the design of nonpeptide inhibitors of pp60(Src) SH2 domain.
Bioorg.Med.Chem.Lett., 11, 2001
|
|
3HMM
 | | Structure of Alk5 + GW855857 | | 分子名称: | 2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine, TGF-beta receptor type-1 | | 著者 | Smith, W, Janson, C. | | 登録日 | 2009-05-29 | | 公開日 | 2009-06-23 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Design of novel quinazoline derivatives and related analogues as potent and selective ALK5 inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
|
|
3VB5
 | | Crystal structure of SARS-CoV 3C-like protease with C4Z | | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase, C4Z inhibitor | | 著者 | Chuck, C.P, Wong, K.B. | | 登録日 | 2011-12-31 | | 公開日 | 2012-12-12 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Design, synthesis and crystallographic analysis of nitrile-based broad-spectrum peptidomimetic inhibitors for coronavirus 3C-like proteases
Eur.J.Med.Chem., 59C, 2012
|
|
3RUU
 | | FXR with SRC1 and GSK237 | | 分子名称: | 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-3-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ... | | 著者 | Williams, S.P, Madauss, K.P. | | 登録日 | 2011-05-05 | | 公開日 | 2011-09-21 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.502 Å) | | 主引用文献 | Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
|
|
1RRW
 | | DHNA complexed with 9-methylguanine | | 分子名称: | 9-METHYLGUANINE, Dihydroneopterin aldolase | | 著者 | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | | 登録日 | 2003-12-09 | | 公開日 | 2004-03-30 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
|
|
3VB4
 | | Crystal structure of SARS-CoV 3C-like protease with B4Z | | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase, B4Z inhibitor, ... | | 著者 | Chuck, C.P, Wong, K.B. | | 登録日 | 2011-12-31 | | 公開日 | 2012-12-12 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Design, synthesis and crystallographic analysis of nitrile-based broad-spectrum peptidomimetic inhibitors for coronavirus 3C-like proteases
Eur.J.Med.Chem., 59C, 2012
|
|
1RS2
 | | DHNA complex with 8-Amino-1,3-dimethyl-3,7-dihydropurine-2,6-dione | | 分子名称: | 8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE, Dihydroneopterin aldolase | | 著者 | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | | 登録日 | 2003-12-09 | | 公開日 | 2004-03-30 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
|
|
1RHJ
 | |
4WN1
 | | Crystal structure of PDE10A in complex with 1-methyl-5-(1-methyl-3-{[4-(quinolin-2-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one | | 分子名称: | 1-methyl-5-(1-methyl-3-{[4-(quinolin-2-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Amano, Y, Honbou, K. | | 登録日 | 2014-10-10 | | 公開日 | 2014-12-31 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (3.13 Å) | | 主引用文献 | Synthesis, SAR study, and biological evaluation of novel quinoline derivatives as phosphodiesterase 10A inhibitors with reduced CYP3A4 inhibition.
Bioorg.Med.Chem., 23, 2015
|
|
3RUT
 | | FXR with SRC1 and GSK359 | | 分子名称: | 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1-benzothiophene-3-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ... | | 著者 | Williams, S.P, Madauss, K.P. | | 登録日 | 2011-05-05 | | 公開日 | 2011-09-21 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
|
|
2BED
 | | Structure of FPT bound to inhibitor SCH207736 | | 分子名称: | (11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE, FARNESYL DIPHOSPHATE, Protein farnesyltransferase beta subunit, ... | | 著者 | Strickland, C. | | 登録日 | 2005-10-24 | | 公開日 | 2006-08-08 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Enhanced FTase activity achieved via piperazine interaction with catalytic zinc.
Bioorg.Med.Chem.Lett., 16, 2006
|
|
2RGP
 | | Structure of EGFR in complex with hydrazone, a potent dual inhibitor | | 分子名称: | Epidermal growth factor receptor, N-[1-(3-fluorobenzyl)-1H-indazol-5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine-4,6-diamine, PHOSPHATE ION | | 著者 | Abad, M.C. | | 登録日 | 2007-10-04 | | 公開日 | 2008-08-26 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 4-Amino-6-arylamino-pyrimidine-5-carbaldehyde hydrazones as potent ErbB-2/EGFR dual kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
|
|
1F0T
 | | BOVINE TRYPSIN COMPLEXED WITH RPR131247 | | 分子名称: | 4-HYDROXY-3-[2-OXO-3-(THIENO[3,2-B]PYRIDINE-2-SULFONYLAMINO)-PYRROLIDIN-1-YLMETHYL]-BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | | 著者 | Maignan, S, Guilloteau, J.P, Pouzieux, S, Choi-Sledeski, Y.M, Becker, M.R, Klein, S.I, Ewing, W.R, Pauls, H.W, Spada, A.P, Mikol, V. | | 登録日 | 2000-05-17 | | 公開日 | 2000-09-20 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structures of human factor Xa complexed with potent inhibitors.
J.Med.Chem., 43, 2000
|
|
4PZX
 | | Synthesis, Characterization and PK/PD Studies of a Series of Spirocyclic Pyranochromene BACE1 Inhibitors | | 分子名称: | (4R,4a'R,10a'R)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION | | 著者 | Vigers, G.P.A. | | 登録日 | 2014-03-31 | | 公開日 | 2014-05-14 | | 最終更新日 | 2014-10-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Synthesis, characterization, and PK/PD studies of a series of spirocyclic pyranochromene BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
|
|
8Q2J
 | | Tau - AD-MIA2 | | 分子名称: | Isoform Tau-D of Microtubule-associated protein tau | | 著者 | Lovestam, S, Li, D, Scheres, S.H.W, Goedert, M. | | 登録日 | 2023-08-02 | | 公開日 | 2023-08-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | ELECTRON MICROSCOPY (2.23 Å) | | 主引用文献 | Disease-specific tau filaments assemble via polymorphic intermediates.
Nature, 625, 2024
|
|
8Q7F
 | | Tau - AD-MIA5 | | 分子名称: | Isoform Tau-D of Microtubule-associated protein tau | | 著者 | Lovestam, S, Li, D, Scheres, S.H.W, Goedert, M. | | 登録日 | 2023-08-16 | | 公開日 | 2023-08-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | ELECTRON MICROSCOPY (3.72 Å) | | 主引用文献 | Disease-specific tau filaments assemble via polymorphic intermediates.
Nature, 625, 2024
|
|
8Q27
 | | Tau: AD-MIA1 | | 分子名称: | Isoform Tau-D of Microtubule-associated protein tau | | 著者 | Lovestam, S, Scheres, S.H.W, Goedert, M, Li, D. | | 登録日 | 2023-08-01 | | 公開日 | 2023-08-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | ELECTRON MICROSCOPY (2.02 Å) | | 主引用文献 | Disease-specific tau filaments assemble via polymorphic intermediates.
Nature, 625, 2024
|
|
8Q7T
 | | Tau - AD-MIA11 | | 分子名称: | Isoform Tau-D of Microtubule-associated protein tau | | 著者 | Lovestam, S, Li, D, Scheres, S.H.W, Goedert, M. | | 登録日 | 2023-08-17 | | 公開日 | 2023-08-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Disease-specific tau filaments assemble via polymorphic intermediates.
Nature, 625, 2024
|
|
8Q8R
 | | Tau - AD-PHF | | 分子名称: | Isoform Tau-D of Microtubule-associated protein tau | | 著者 | Lovestam, S, Li, D, Scheres, S.H.W, Goedert, M. | | 登録日 | 2023-08-18 | | 公開日 | 2023-09-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | ELECTRON MICROSCOPY (2.1 Å) | | 主引用文献 | Disease-specific tau filaments assemble via polymorphic intermediates.
Nature, 625, 2024
|
|
