2YED
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2yed by Molmil](/molmil-images/mine/2yed) | |
3T9I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3t9i by Molmil](/molmil-images/mine/3t9i) | Pim1 complexed with a novel 3,6-disubstituted indole at 2.6 Ang Resolution | 分子名称: | 2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol, Proto-oncogene serine/threonine-protein kinase pim-1 | 著者 | Bellamacina, C, Shu, W, Le, V, Nishiguchi, G, Bussiere, D. | 登録日 | 2011-08-02 | 公開日 | 2011-10-12 | 最終更新日 | 2011-11-02 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Discovery of novel 3,5-disubstituted indole derivatives as potent inhibitors of Pim-1, Pim-2, and Pim-3 protein kinases. Bioorg.Med.Chem.Lett., 21, 2011
|
|
3NPA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3npa by Molmil](/molmil-images/mine/3npa) | |
2YE8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ye8 by Molmil](/molmil-images/mine/2ye8) | |
3PPK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ppk by Molmil](/molmil-images/mine/3ppk) | Human B-Raf Kinase in Complex with a Non-Oxime Furopyridine Inhibitor | 分子名称: | 3-[(5-hydroxynaphthalen-2-yl)amino]-N-(pyrimidin-4-yl)furo[2,3-c]pyridine-2-carboxamide, Serine/threonine-protein kinase B-raf | 著者 | Voegtli, W.C, Vigers, G.P.A, Morales, T, Brandhuber, B.J. | 登録日 | 2010-11-24 | 公開日 | 2011-02-02 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Non-oxime inhibitors of B-Raf(V600E) kinase. Bioorg.Med.Chem.Lett., 21, 2011
|
|
2YE5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ye5 by Molmil](/molmil-images/mine/2ye5) | |
2YOH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2yoh by Molmil](/molmil-images/mine/2yoh) | Plasmodium falciparum thymidylate kinase in complex with a urea-alpha- deoxythymidine inhibitor | 分子名称: | 1-[[(2R,3S,5S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]-3-(4-nitrophenyl)urea, THYMIDYLATE KINASE | 著者 | Huaqing, C, Carrero-Lerida, J, Silva, A.P.G, Whittingham, J.L, Brannigan, J.A, Ruiz-Perez, L.M, Read, K.D, Wilson, K.S, Gonzalez-Pacanowska, D, Gilbert, I.H. | 登録日 | 2012-10-24 | 公開日 | 2013-07-24 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials. J.Med.Chem., 55, 2012
|
|
2YEI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2yei by Molmil](/molmil-images/mine/2yei) | HSP90 inhibitors and drugs from fragment and virtual screening | 分子名称: | HEAT SHOCK PROTEIN HSP 90-ALPHA, METHYL 2-(3,5-DIHYDROXYPHENYL)ETHANOATE, METHYL 5-ISOXAZOL-5-YL-3-METHYL-1H-PYRAZOLE-4-CARBOXYLATE | 著者 | Roughley, S.D, Hubbard, R.E, Baker, L.M. | 登録日 | 2011-03-25 | 公開日 | 2011-06-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90. J.Med.Chem., 54, 2011
|
|
3PS3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ps3 by Molmil](/molmil-images/mine/3ps3) | Crystal structure of the Escherichia Coli LPXC/LPC-053 complex | 分子名称: | 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide, 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide, DIMETHYL SULFOXIDE, ... | 著者 | Lee, C.-J, Zhou, P. | 登録日 | 2010-11-30 | 公開日 | 2011-01-19 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Syntheses, structures and antibiotic activities of LpxC inhibitors based on the diacetylene scaffold. Bioorg.Med.Chem., 19, 2011
|
|
2YE7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ye7 by Molmil](/molmil-images/mine/2ye7) | HSP90 inhibitors and drugs from fragment and virtual screening | 分子名称: | 2-[(3,5-DIMETHYL-1H-PYRAZOL-4-YL)SULFANYL]-5-METHYLSULFANYL-1,3,4-THIADIAZOLE, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Roughley, S.D, Hubbard, R.E, Baker, L.M. | 登録日 | 2011-03-25 | 公開日 | 2011-06-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90. J.Med.Chem., 54, 2011
|
|
3MRV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mrv by Molmil](/molmil-images/mine/3mrv) | |
3MT8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mt8 by Molmil](/molmil-images/mine/3mt8) | |
2YE9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ye9 by Molmil](/molmil-images/mine/2ye9) | |
3MT7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mt7 by Molmil](/molmil-images/mine/3mt7) | |
2FLE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fle by Molmil](/molmil-images/mine/2fle) | Structural analysis of asymmetric inhibitor bound to the HIV-1 Protease V82A mutant | 分子名称: | (2S,2'S)-N,N'-[(2S,3S,4S,5S)-1-CYCLOHEXYL-3,4-DIHYDROXY-6-PHENYLHEXANE-2,5-DIYL]BIS[3-METHYL-2-({[METHYL(PYRIDIN-2-YLMETHYL)AMINO]CARBONYL}AMINO)BUTANAMIDE], GLYCEROL, pol protein | 著者 | Clemente, J.C, Robbins, A, Dunn, B.M, Sussman, F. | 登録日 | 2006-01-05 | 公開日 | 2007-01-16 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Design, synthesis, evaluation, and crystallographic-based structural studies of HIV-1 protease inhibitors with reduced response to the V82A mutation. J.Med.Chem., 51, 2008
|
|
2XDX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xdx by Molmil](/molmil-images/mine/2xdx) | Structure of HSP90 with small molecule inhibitor bound | 分子名称: | 4-CHLORO-6-(2-METHOXYPHENYL)PYRIMIDIN-2-AMINE, 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'Brien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | 登録日 | 2010-05-10 | 公開日 | 2010-09-01 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.42 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
|
|
2XJX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xjx by Molmil](/molmil-images/mine/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
|
|
2YE3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ye3 by Molmil](/molmil-images/mine/2ye3) | |
2YFX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2yfx by Molmil](/molmil-images/mine/2yfx) | Structure of L1196M Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib | 分子名称: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, TYROSINE-PROTEIN KINASE RECEPTOR | 著者 | McTigue, M, Deng, Y, Liu, W, Brooun, A. | 登録日 | 2011-04-08 | 公開日 | 2011-05-04 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib. J.Med.Chem., 57, 2014
|
|
2YOF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2yof by Molmil](/molmil-images/mine/2yof) | Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- beta-deoxythymidine inhibitor | 分子名称: | 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]thiourea, ACETATE ION, THYMIDYLATE KINASE, ... | 著者 | Huaqing, C, Carrero-Lerida, J, Silva, A.P.G, Whittingham, J.L, Brannigan, J.A, Ruiz-Perez, L.M, Read, K.D, Wilson, K.S, Gonzalez-Pacanowska, D, Gilbert, I.H. | 登録日 | 2012-10-24 | 公開日 | 2013-07-24 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials. J.Med.Chem., 55, 2012
|
|
2Z4Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2z4y by Molmil](/molmil-images/mine/2z4y) | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-252 | 分子名称: | (1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPHONIC ACID), Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | 著者 | Chen, C.K.-M, Guo, R.T, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | 登録日 | 2007-06-26 | 公開日 | 2008-07-01 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation J.Med.Chem., 51, 2008
|
|
3MTD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mtd by Molmil](/molmil-images/mine/3mtd) | |
4K5I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k5i by Molmil](/molmil-images/mine/4k5i) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with (R)-1,2-bis((2-amino-4-methylpyridin-6-yl)-methoxy)-propan-3-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2013-04-14 | 公開日 | 2013-09-18 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
|
|
3MTB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mtb by Molmil](/molmil-images/mine/3mtb) | |
3MTA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mta by Molmil](/molmil-images/mine/3mta) | |