3U2O
| Dihydroorotate Dehydrogenase (DHODH) crystal structure in complex with small molecule inhibitor | 分子名称: | ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | 著者 | Lozoya, E, Segarra, V, Erra, M, Wenzkowski, C, Jestel, A, Krapp, S, Blaesse, M. | 登録日 | 2011-10-04 | 公開日 | 2011-11-16 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Biaryl analogues of teriflunomide as potent DHODH inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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3U6A
| Rational Design and Synthesis of Aminopiperazinones as Beta Secretase (BACE) Inhibitors | 分子名称: | Beta-secretase 1, N-{3-[(2R)-6-amino-2,4-dimethyl-3-oxo-2,3,4,5-tetrahydropyrazin-2-yl]phenyl}-5-chloropyridine-2-carboxamide, SULFATE ION | 著者 | Spurlino, J.C, Alexander, R.S. | 登録日 | 2011-10-12 | 公開日 | 2011-11-09 | 最終更新日 | 2013-09-04 | 実験手法 | X-RAY DIFFRACTION (2.199 Å) | 主引用文献 | Rational design and synthesis of aminopiperazinones as beta-secretase (BACE) inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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2R4F
| Substituted Pyrazoles as Hepatselective HMG-COA reductase inhibitors | 分子名称: | (3R,5R)-7-[1-(4-fluorophenyl)-4-(1-methylethyl)-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-1H-pyrazol-5-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | 著者 | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | 登録日 | 2007-08-31 | 公開日 | 2008-04-29 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Substituted pyrazoles as hepatoselective HMG-CoA reductase inhibitors: discovery of (3R,5R)-7-[2-(4-fluoro-phenyl)-4-isopropyl-5-(4-methyl-benzylcarbamoyl)-2H-pyrazol-3-yl]-3,5-dihydroxyheptanoic acid (PF-3052334) as a candidate for the treatment of hypercholesterolemia. J.Med.Chem., 51, 2008
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3PJC
| Crystal structure of JAK3 complexed with a potent ATP site inhibitor showing high selectivity within the Janus kinase family | 分子名称: | 3-(1H-indol-3-yl)-4-[2-(4-oxopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrole-2,5-dione, Tyrosine-protein kinase JAK3 | 著者 | Tavares, G.A, Thoma, G, Zerwes, H.-G, Kroemer, M. | 登録日 | 2010-11-09 | 公開日 | 2010-12-29 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Identification of a Potent Janus Kinase 3 Inhibitor with High Selectivity within the Janus Kinase Family. J.Med.Chem., 54, 2011
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4G20
| Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor | 分子名称: | 3-(5'-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | 著者 | Ciesielski, F, Sato, Y, Moras, D, Rochel, N. | 登録日 | 2012-07-11 | 公開日 | 2012-09-26 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor. J.Med.Chem., 55, 2012
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3LDL
| Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with ATP | 分子名称: | 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | 著者 | Dokurno, P, Surgenor, A.E, Shaw, T, Macias, A.T, Massey, A.J, Williamson, D.S. | 登録日 | 2010-01-13 | 公開日 | 2011-01-26 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Adenosine-Derived Inhibitors of 78 kDa Glucose Regulated Protein (Grp78) ATPase: Insights into Isoform Selectivity. J.Med.Chem., 54, 2011
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4GL5
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4G21
| Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor | 分子名称: | 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | 著者 | Ciesielski, F, Sato, Y, Moras, D, Rochel, N. | 登録日 | 2012-07-11 | 公開日 | 2012-09-26 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor. J.Med.Chem., 55, 2012
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3LDO
| Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with AMPPNP | 分子名称: | 78 kDa glucose-regulated protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | 著者 | Dokurno, P, Surgenor, A.E, Shaw, T, Macias, A.T, Massey, A.J, Williamson, D.S. | 登録日 | 2010-01-13 | 公開日 | 2011-01-26 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Adenosine-Derived Inhibitors of 78 kDa Glucose Regulated Protein (Grp78) ATPase: Insights into Isoform Selectivity. J.Med.Chem., 54, 2011
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3EKN
| Insulin receptor kinase complexed with an inhibitor | 分子名称: | 2-fluoro-6-{[2-({2-methoxy-4-[4-(1-methylethyl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide, Insulin receptor | 著者 | Chamberlain, S, Atkins, C, Deanda, F, Dumble, M, Gerding, R, Groy, A, Korenchuk, S, Kumar, R, Lei, H, Mook, R, Moorthy, G, Redman, A, Rowland, J, Shewchuk, L. | 登録日 | 2008-09-19 | 公開日 | 2008-12-30 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Optimization of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine IGF-1R tyrosine kinase inhibitors towards JNK selectivity. Bioorg.Med.Chem.Lett., 19, 2009
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4G1Y
| Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor | 分子名称: | (4E,6Z)-7-(3-{[3,4-bis(hydroxymethyl)benzyl]oxy}phenyl)-3-ethylnona-4,6-dien-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | 著者 | Ciesielski, F, Sato, Y, Moras, D, Rochel, N. | 登録日 | 2012-07-11 | 公開日 | 2012-09-26 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor. J.Med.Chem., 55, 2012
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3EKK
| Insulin receptor kinase complexed with an inhibitor | 分子名称: | 2-[(2-{[1-(N,N-dimethylglycyl)-5-methoxy-1H-indol-6-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-N-methylbenzamide, Insulin receptor | 著者 | Chamberlain, S, Atkins, C, Deanda, F, Dumble, M, Gerding, R, Groy, A, Korenchuk, S, Kumar, R, Lei, H, Mook, R, Moorthy, G, Redman, A, Rowland, J, Sabbatini, P, Shewchuk, L. | 登録日 | 2008-09-19 | 公開日 | 2008-12-23 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidines: Potent inhibitors of the IGF-1R receptor tyrosine kinase. Bioorg.Med.Chem.Lett., 19, 2009
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3EMG
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4ZRO
| 2.1 A X-Ray Structure of FIPV-3CLpro bound to covalent inhibitor | 分子名称: | 3C-like proteinase, Bounded inhibitor of N-(tert-butoxycarbonyl)-L-seryl-L-valyl-N-{(2S)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-leucinamide, DIMETHYL SULFOXIDE | 著者 | St John, S.E, Mesecar, A.D. | 登録日 | 2015-05-12 | 公開日 | 2015-10-14 | 最終更新日 | 2019-12-11 | 実験手法 | X-RAY DIFFRACTION (2.0566 Å) | 主引用文献 | X-ray structure and inhibition of the feline infectious peritonitis virus 3C-like protease: Structural implications for drug design. Bioorg.Med.Chem.Lett., 25, 2015
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3EQP
| Crystal Structure of Ack1 with compound T95 | 分子名称: | Activated CDC42 kinase 1, CHLORIDE ION, N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-2-({4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}amino)pyrimidine-5-carboxamide | 著者 | Liu, J, Wang, Z, Walker, N.P.C. | 登録日 | 2008-10-01 | 公開日 | 2008-12-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Identification and optimization of N3,N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamines as a novel class of ACK1 inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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2ZM4
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5ADQ
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5ADS
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5ADR
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3NUP
| CDK6 (monomeric) in complex with inhibitor | 分子名称: | 4-[3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine, Cell division protein kinase 6 | 著者 | Chopra, R. | 登録日 | 2010-07-07 | 公開日 | 2010-12-22 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | 4-(Pyrazol-4-yl)-pyrimidines as selective inhibitors of cyclin-dependent kinase 4/6. J.Med.Chem., 53, 2010
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3NUX
| CDK6 (monomeric) in complex with inhibitor | 分子名称: | 4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-ylpyridin-2-yl)pyrimidin-2-amine, Cell division protein kinase 6 | 著者 | Chopra, R. | 登録日 | 2010-07-07 | 公開日 | 2010-12-22 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | 4-(Pyrazol-4-yl)-pyrimidines as selective inhibitors of cyclin-dependent kinase 4/6. J.Med.Chem., 53, 2010
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5ADT
| Crystal structure of human tankyrase 2 in complex with OD73 | 分子名称: | BICARBONATE ION, N-[3-chloranyl-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-2-methyl-1,3-oxazole-5-carboxamide, SULFATE ION, ... | 著者 | Haikarainen, T, Lehtio, L. | 登録日 | 2015-08-24 | 公開日 | 2016-01-13 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Development and Structural Analysis of Adenosine Site Binding Tankyrase Inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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4HMN
| Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with (4-(4-Chlorophenyl)piperazin-1-yl)(morpholino)methanone (24) | 分子名称: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Turnbull, A.P, Flanagan, J.U, Atwell, G.J, Heinrich, D.M, Jamieson, S.M.F, Brooke, D.G, Silva, S, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Denny, W.A. | 登録日 | 2012-10-18 | 公開日 | 2013-11-13 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Morpholylureas are a new class of potent and selective inhibitors of the type 5 17-beta-hydroxysteroid dehydrogenase (AKR1C3). Bioorg.Med.Chem., 22, 2014
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3RVI
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3O2A
| Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator | 分子名称: | GLUTAMIC ACID, GLYCEROL, Glutamate receptor 2, ... | 著者 | Maclean, J.K.F, Basten, S, Campbell, R.A, Cumming, I.A, Gillen, K.J, Gillespie, J, Jamieson, C, Kazemier, B, Kiczun, M, Lamont, Y, Lyons, A.J, Moir, E.M, Morrow, J.A, Papakosta, M, Rankovic, Z, Smith, L. | 登録日 | 2010-07-22 | 公開日 | 2010-09-15 | 最終更新日 | 2017-08-09 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A novel series of positive modulators of the AMPA receptor: discovery and structure based hit-to-lead studies. Bioorg.Med.Chem.Lett., 20, 2010
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