1FLJ
 
 | | CRYSTAL STRUCTURE OF S-GLUTATHIOLATED CARBONIC ANHYDRASE III | | 分子名称: | CARBONIC ANHYDRASE III, GLUTATHIONE, ZINC ION | | 著者 | Mallis, R.J, Poland, B.W, Chatterjee, T.K, Fisher, R.A, Darmawan, S, Honzatko, R.B, Thomas, J.A. | | 登録日 | 2000-08-14 | | 公開日 | 2000-09-04 | | 最終更新日 | 2017-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of S-glutathiolated carbonic anhydrase III.
FEBS Lett., 482, 2000
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2XJJ
 | | Structure of HSP90 with small molecule inhibitor bound | | 分子名称: | 1,3-DIHYDROISOINDOL-2-YL-(6-HYDROXY-3,3-DIMETHYL-1,2-DIHYDROINDOL-5-YL)METHANONE, GLYCEROL, HEAT SHOCK PROTEIN HSP 90-ALPHA | | 著者 | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | 登録日 | 2010-07-06 | | 公開日 | 2010-08-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design.
J.Med.Chem., 53, 2010
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2H4P
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4J03
 | | Crystal structure of human soluble epoxide hydrolase complexed with fulvestrant | | 分子名称: | (7beta,9beta,13alpha,17beta)-7-{9-[(R)-(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ... | | 著者 | Morisseau, C, Pakhomova, S, Hwang, S.H, Newcomer, M.E, Hammock, B.D. | | 登録日 | 2013-01-30 | | 公開日 | 2013-06-05 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | | 主引用文献 | Inhibition of soluble epoxide hydrolase by fulvestrant and sulfoxides.
Bioorg.Med.Chem.Lett., 23, 2013
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2XDU
 | | Structure of HSP90 with small molecule inhibitor bound | | 分子名称: | 1-CHLORO-4-METHYLPHTHALAZINE, DIMETHYL SULFOXIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA, ... | | 著者 | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | 登録日 | 2010-05-07 | | 公開日 | 2010-09-01 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
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2H4Q
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2XDS
 | | Structure of HSP90 with small molecule inhibitor bound | | 分子名称: | 1-CHLORO-4-METHYLPHTHALAZINE, DIMETHYL SULFOXIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA | | 著者 | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | 登録日 | 2010-05-07 | | 公開日 | 2010-09-01 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
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2XJG
 | | Structure of HSP90 with small molecule inhibitor bound | | 分子名称: | 1,3-DIHYDROISOINDOL-2-YL-(2-HYDROXY-4-METHOXY-5-PROPAN-2-YL-PHENYL)METHANONE, HEAT SHOCK PROTEIN HSP 90-ALPHA | | 著者 | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, B, Woodhead, A.J, Woolford, A.J.A. | | 登録日 | 2010-07-06 | | 公開日 | 2010-08-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design.
J.Med.Chem., 53, 2010
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2H4R
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2XJX
 | | Structure of HSP90 with small molecule inhibitor bound | | 分子名称: | HEAT SHOCK PROTEIN HSP 90-ALPHA, Onalespib | | 著者 | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | 登録日 | 2010-07-06 | | 公開日 | 2010-08-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design.
J.Med.Chem., 53, 2010
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2XAB
 | | Structure of HSP90 with an inhibitor bound | | 分子名称: | 4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)-6-(1-METHYLETHYL)BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA, | | 著者 | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, m, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, O'Brian, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | 登録日 | 2010-03-30 | | 公開日 | 2010-08-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design.
J.Med.Chem., 53, 2010
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3UQ3
 | | TPR2AB-domain:pHSP90-complex of yeast Sti1 | | 分子名称: | Heat shock protein, Heat shock protein STI1 | | 著者 | Schmid, A.B, Lagleder, S, Graewert, M.A, Roehl, A, Hagn, F, Wandinger, S.K, Cox, M.B, Demmer, O, Richter, K, Groll, M, Kessler, H, Buchner, J. | | 登録日 | 2011-11-19 | | 公開日 | 2012-01-18 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | The architecture of functional modules in the Hsp90 co-chaperone Sti1/Hop.
Embo J., 31, 2012
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4ZNN
 | | MicroED structure of the segment, GVVHGVTTVA, from the A53T familial mutant of Parkinson's disease protein, alpha-synuclein residues 47-56 | | 分子名称: | Alpha-synuclein | | 著者 | Rodriguez, J.A, Ivanova, M, Sawaya, M.R, Cascio, D, Reyes, F, Shi, D, Johnson, L, Guenther, E, Sangwan, S, Hattne, J, Nannenga, B, Brewster, A.S, Messerschmidt, M, Boutet, S, Sauter, N.K, Gonen, T, Eisenberg, D.S. | | 登録日 | 2015-05-05 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.41 Å) | | 主引用文献 | Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015
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4ZW5
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4ZX5
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4ZW6
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4ZX6
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4ZY2
 | | X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10o | | 分子名称: | CARBONATE ION, DIMETHYL SULFOXIDE, N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide, ... | | 著者 | Drinkwater, N, McGowan, S. | | 登録日 | 2015-05-21 | | 公開日 | 2016-03-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
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4ZX9
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4ZX3
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4ZW3
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4ZX4
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4ZX8
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4ZY1
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4ZW7
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