PDB: 220 件ウェブページステータス検索Chemie searchBIRD

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4YL3	Crystal Structures of mPGES-1 Inhibitor Complexes 分子名称: 5-[4-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-{[4-(trifluoromethyl)phenyl]ethynyl}pyridine, GLUTATHIONE, Prostaglandin E synthase, ... 著者 Luz, J.G, Antonysamy, S, Kuklish, S.L, Fisher, M.J. 登録日 2015-03-04 公開日 2015-07-08 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics. J.Med.Chem., 58, 2015
4Z3D	Human carbonyl reductase 1 with glutathione in a protective configuration 分子名称: Carbonyl reductase [NADPH] 1, GLUTATHIONE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Ding, Y, Liang, Q. 登録日 2015-03-31 公開日 2015-10-14 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural insights on the catalytic site protection of human carbonyl reductase 1 by glutathione. J.Struct.Biol., 192, 2015
4YVX	Crystal structure of AKR1C3 complexed with glimepiride 分子名称: 3-ethyl-4-methyl-N-[2-(4-{[(cis-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-car boxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Zhao, Y, Zheng, X, Zhang, H, Hu, X. 登録日 2015-03-20 公開日 2015-11-25 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis Chem.Biol.Interact., 240, 2015
4YL0	Crystal Structures of mPGES-1 Inhibitor Complexes 分子名称: 2-(9-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ... 著者 Luz, J.G, Antonysamy, S, Kuklish, S.L, Fisher, M.J. 登録日 2015-03-04 公開日 2015-06-10 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics. J.Med.Chem., 58, 2015
4YVV	Crystal structure of AKR1C3 complexed with glibenclamide 分子名称: 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Zhao, Y, Zheng, X, Zhang, H, Hu, X. 登録日 2015-03-20 公開日 2015-11-25 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis Chem.Biol.Interact., 240, 2015
4ZFC	Crystal structure of AKR1C3 complexed with glicazide 分子名称: Aldo-keto reductase family 1 member C3, N-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-methylbenzenesulfonamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Zhao, Y, Zhrng, X, Hu, X. 登録日 2015-04-21 公開日 2015-11-25 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis Chem.Biol.Interact., 240, 2015
3R58	AKR1C3 complex with naproxen 分子名称: (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, ... 著者 Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J. 登録日 2011-03-18 公開日 2012-03-28 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3. Plos One, 7, 2012
3R43	AKR1C3 complexed with mefenamic acid 分子名称: 1,2-ETHANEDIOL, 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID, Aldo-keto reductase family 1 member C3, ... 著者 Squire, C.J, Teague, R.M, Yosaatmadja, L. 登録日 2011-03-17 公開日 2012-03-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3. Plos One, 7, 2012
2WEH	Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors 分子名称: 2-CHLOROBENZENESULFONAMIDE, CARBONIC ANHYDRASE 2, GLYCEROL, ... 著者 Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. 登録日 2009-03-31 公開日 2009-11-10 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
2WEG	Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors 分子名称: 2-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, GLYCEROL, ... 著者 Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. 登録日 2009-03-31 公開日 2009-11-10 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
2WEO	Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors 分子名称: 3-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... 著者 Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. 登録日 2009-04-01 公開日 2009-11-10 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
2WD2	A chimeric microtubule disruptor with efficacy on a taxane resistant cell line 分子名称: 7-methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl sulfamate, CARBONIC ANHYDRASE 2, FORMIC ACID, ... 著者 Leese, M.P, Jourdan, F.L, Kimberley, M.R, Cozier, G.E, Regis-Lydi, S, Foster, P.A, Newman, S.P, Thiyagarajan, N, Acharya, K.R, Ferrandis, E, Purohit, A, Reed, M.J, Potter, B.V.L. 登録日 2009-03-19 公開日 2010-03-31 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Chimeric Microtubule Disruptors. Chem.Commun.(Camb.), 46, 2010
2WEJ	Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors 分子名称: CARBONIC ANHYDRASE 2, GLYCEROL, ZINC ION, ... 著者 Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. 登録日 2009-03-31 公開日 2009-11-10 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
2VVA	Human carbonic anhydrase in complex with CO2 分子名称: CARBON DIOXIDE, CARBONIC ANHYDRASE 2, GLYCEROL, ... 著者 Sjoeblom, B, Polentarutti, M, Djinovic-Carugo, K. 登録日 2008-06-04 公開日 2009-07-14 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 Structural Study of X-Ray Induced Activation of Carbonic Anhydrase. Proc.Natl.Acad.Sci.USA, 106, 2009
2WD3	Highly Potent First Examples of Dual Aromatase-Steroid Sulfatase Inhibitors based on a Biphenyl Template 分子名称: 3-CHLORO-2'-CYANO-5'-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BIPHENYL-4-YL SULFAMATE, CARBONIC ANHYDRASE 2, ZINC ION 著者 Woo, L.W.L, Jackson, T, Putey, A, Cozier, G, Leonard, P, Acharya, K.R, Chander, S.K, Purohit, A, Reed, M.J, Potter, B.V.L. 登録日 2009-03-19 公開日 2010-02-23 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Highly Potent First Examples of Dual Aromatase-Steroid Sulfatase Inhibitors Based on a Biphenyl Template. J.Med.Chem., 53, 2010
3R6I	AKR1C3 complex with meclofenamic acid 分子名称: 1,2-ETHANEDIOL, 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Aldo-keto reductase family 1 member C3, ... 著者 Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J. 登録日 2011-03-21 公開日 2012-05-02 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3. Plos One, 7, 2012
3R94	AKR1C3 complex with flurbiprofen 分子名称: (2R)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, ... 著者 Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J. 登録日 2011-03-24 公開日 2012-05-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.013 Å) 主引用文献 Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3. Plos One, 7, 2012
2X7S	Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors. 分子名称: (13ALPHA,14BETA,17ALPHA)-3-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-17-YL SULFAMATE, CARBONIC ANHYDRASE 2, GLYCEROL, ... 著者 Cozier, G.E, Leese, M.P, Lloyd, M.D, Baker, M.D, Thiyagarajan, N, Acharya, K.R, Potter, B.V.L. 登録日 2010-03-03 公開日 2010-03-31 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal a Second Binding Site for Steroidal and Nonsteroidal Inhibitors. Biochemistry, 49, 2010
2WWP	Crystal structure of the human lipocalin-type prostaglandin D synthase 分子名称: CHLORIDE ION, PROSTAGLANDIN-H2 D-ISOMERASE, THIOCYANATE ION 著者 Roos, A.K, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotyenova, T, Kotzch, A, Kraulis, P, Markova, N, Moche, M, Nielsen, T.K, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) 登録日 2009-10-26 公開日 2010-01-12 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural and Dynamic Insights Into Substrate Binding and Catalysis of Human Lipocalin Prostaglandin D Synthase. J.Lipid Res., 54, 2013
2VVB	Human carbonic anhydrase II in complex with bicarbonate 分子名称: BICARBONATE ION, CARBON DIOXIDE, CARBONIC ANHYDRASE 2, ... 著者 Sjoeblom, B, Polentarutti, M, Djinovic-Carugo, K. 登録日 2008-06-04 公開日 2009-07-14 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 Structural Study of X-Ray Induced Activation of Carbonic Anhydrase. Proc.Natl.Acad.Sci.USA, 106, 2009
3R7M	AKR1C3 complex with sulindac 分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J. 登録日 2011-03-22 公開日 2012-05-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3. Plos One, 7, 2012
2X7T	Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors. 分子名称: (9BETA,13ALPHA,14BETA,17ALPHA)-2-ETHYLESTRA-1(10),2,4-TRIENE-3,17-DIYL DISULFAMATE, CARBONIC ANHYDRASE 2, GLYCEROL, ... 著者 Cozier, G.E, Leese, M.P, Lloyd, M.D, Baker, M.D, Thiyagarajan, N, Acharya, K.R, Potter, B.V.L. 登録日 2010-03-03 公開日 2010-03-31 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal a Second Binding Site for Steroidal and Non-Steroidal Inhibitors. Biochemistry, 49, 2010
3R8G	AKR1C3 complex with ibuprofen 分子名称: (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, ... 著者 Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J. 登録日 2011-03-24 公開日 2012-05-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.799 Å) 主引用文献 Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3. Plos One, 7, 2012
3R8H	AKR1C3 complex with zomepirac 分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J. 登録日 2011-03-24 公開日 2012-05-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3. Plos One, 7, 2012
2X7U	Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors. 分子名称: (9BETA,14BETA,17BETA)-17-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-3-YL SULFAMATE, CARBONIC ANHYDRASE 2, GLYCEROL, ... 著者 Cozier, G.E, Leese, M.P, Lloyd, M.D, Baker, M.D, Thiyagarajan, N, Acharya, K.R, Potter, B.V.L. 登録日 2010-03-03 公開日 2010-03-31 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.12 Å) 主引用文献 Structures of Human Carbonic Anhydrase II/Inhibitor Complexes Reveal a Second Binding Site for Steroidal and Non-Steroidal Inhibitors. Biochemistry, 49, 2010

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