1RF2
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![BU of 1rf2 by Molmil](/molmil-images/mine/1rf2) | Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV4 | 分子名称: | 1,3-BIS-([3-[3-[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBUTENYL]-AMINO-PROPOXY-ETHOXY-ETHOXY]-PROPYL-]AMINO-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TRIETHYLENE GLYCOL, ... | 著者 | Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E. | 登録日 | 2003-11-07 | 公開日 | 2004-10-26 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer. Chem.Biol., 11, 2004
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1RD9
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![BU of 1rd9 by Molmil](/molmil-images/mine/1rd9) | Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV2 | 分子名称: | 1,3-BIS-([3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYL-AMINO]-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HEXAETHYLENE GLYCOL, ... | 著者 | Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E. | 登録日 | 2003-11-05 | 公開日 | 2004-10-26 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer. Chem.Biol., 11, 2004
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1RCV
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![BU of 1rcv by Molmil](/molmil-images/mine/1rcv) | Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV1 | 分子名称: | [3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO] -2-(3-{4-[3-(3-NITRO-5-[GALACTOPYRANOSYLOXY]-BENZOYLAMINO)-PROPYL]-PIPERAZIN-1-YL} -PROPYL-AMINO)-3,4-DIOXO-CYCLOBUTENE, cholera toxin B protein (CTB) | 著者 | Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E. | 登録日 | 2003-11-04 | 公開日 | 2004-10-26 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer. Chem.Biol., 11, 2004
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1OJ8
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![BU of 1oj8 by Molmil](/molmil-images/mine/1oj8) | Novel and retro Binding Modes in Cytotoxic Ribonucleases from Rana catesbeiana of Two Crystal Structures Complexed with d(ApCpGpA) and (2',5'CpG) | 分子名称: | 5'-D(*AP*CP*GP*AP)-3', RC-RNASE6 RIBONUCLEASE, SULFATE ION | 著者 | Tsai, C.-J, Liu, J.-H, Liao, Y.-D, Chen, L.-Y, Cheng, P.-T, Sun, Y.-J. | 登録日 | 2003-07-07 | 公開日 | 2004-07-15 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Retro and Novel Binding Modes in Cytotoxic Ribonucleases from Rana Catesbeiana of Two Crystal Structures Complexed with (2',5'Cpg) and D(Apcpgpa) To be Published
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3CL0
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![BU of 3cl0 by Molmil](/molmil-images/mine/3cl0) | N1 Neuraminidase H274Y + oseltamivir | 分子名称: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase | 著者 | Collins, P, Haire, L.F, Lin, Y.P, Liu, J, Russell, R.J, Walker, P.A, Skehel, J.J, Martin, S.R, Hay, A.J, Gamblin, S.J. | 登録日 | 2008-03-18 | 公開日 | 2008-05-20 | 最終更新日 | 2018-08-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structures of oseltamivir-resistant influenza virus neuraminidase mutants. Nature, 453, 2008
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2Z6G
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![BU of 2z6g by Molmil](/molmil-images/mine/2z6g) | Crystal Structure of a Full-Length Zebrafish Beta-Catenin | 分子名称: | B-catenin | 著者 | Xing, Y, Takemaru, K, Liu, J, Zheng, J, Moon, R, Xu, W. | 登録日 | 2007-08-01 | 公開日 | 2008-02-12 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Crystal Structure of a Full-Length beta-Catenin Structure, 16, 2008
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3KBG
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![BU of 3kbg by Molmil](/molmil-images/mine/3kbg) | Crystal structure of the 30S ribosomal protein S4e from Thermoplasma acidophilum. Northeast Structural Genomics Consortium Target TaR28. | 分子名称: | 30S ribosomal protein S4e | 著者 | Vorobiev, S.M, Su, M, Seetharaman, J, Belote, R.L, Ciccosanti, C, Patel, D, Liu, J, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2009-10-20 | 公開日 | 2009-10-27 | 最終更新日 | 2021-10-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Crystal structure of the 30S ribosomal protein S4e from Thermoplasma acidophilum. To be Published
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7COM
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![BU of 7com by Molmil](/molmil-images/mine/7com) | Crystal structure of the SARS-CoV-2 main protease in complex with Boceprevir (space group P212121) | 分子名称: | 3C-like proteinase, boceprevir (bound form) | 著者 | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Liu, J.M, Zhou, Y.L, Chen, P, Yang, S.Y, Lei, J. | 登録日 | 2020-08-04 | 公開日 | 2020-08-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model. Science, 371, 2021
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8J0F
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5GWM
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![BU of 5gwm by Molmil](/molmil-images/mine/5gwm) | |
3BB6
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![BU of 3bb6 by Molmil](/molmil-images/mine/3bb6) | Crystal structure of the P64488 protein from E.coli (strain K12). Northeast Structural Genomics Consortium target ER596 | 分子名称: | Uncharacterized protein yeaR, ZINC ION | 著者 | Kuzin, A.P, Su, M, Seetharaman, J, Wang, D, Janjua, H, Owens, L, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2007-11-09 | 公開日 | 2007-11-20 | 最終更新日 | 2018-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | X-Ray structure of the P64488 from E.coli (strain K12). To be Published
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4IU6
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![BU of 4iu6 by Molmil](/molmil-images/mine/4iu6) | Human Methionine Aminopeptidase in complex with FZ1: Pyridinylquinazolines Selectively Inhibit Human Methionine Aminopeptidase-1 | 分子名称: | 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-yl)quinazoline, COBALT (II) ION, Methionine aminopeptidase 1, ... | 著者 | Gabelli, S.B, Zhang, F, Miller, M, Liu, J, Amzel, L.M. | 登録日 | 2013-01-19 | 公開日 | 2013-05-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Pyridinylquinazolines selectively inhibit human methionine aminopeptidase-1 in cells. J.Med.Chem., 56, 2013
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5AJM
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![BU of 5ajm by Molmil](/molmil-images/mine/5ajm) | H5 (VN1194) Asn186Lys Mutant Haemagglutinin in Complex with Avian Receptor Analogue 3'SLN | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ... | 著者 | Xiong, X, Xiao, H, Martin, S.R, Coombs, P.J, Liu, J, Collins, P.J, Vachieri, S.G, Walker, P.A, Lin, Y.P, McCauley, J.W, Gamblin, S.J, Skehel, J.J. | 登録日 | 2015-02-25 | 公開日 | 2015-03-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Enhanced Human Receptor Binding by H5 Haemagglutinins. Virology, 456, 2014
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3C86
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![BU of 3c86 by Molmil](/molmil-images/mine/3c86) | OpdA from agrobacterium radiobacter with bound product diethyl thiophosphate from crystal soaking with tetraethyl dithiopyrophosphate- 1.8 A | 分子名称: | 1,2-ETHANEDIOL, COBALT (II) ION, FE (II) ION, ... | 著者 | Ollis, D.L, Jackson, C.J, Foo, J.L, Kim, H.K, Carr, P.D, Liu, J.W, Salem, G. | 登録日 | 2008-02-10 | 公開日 | 2008-02-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | In crystallo capture of a Michaelis complex and product-binding modes of a bacterial phosphotriesterase J.Mol.Biol., 375, 2008
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2AX0
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![BU of 2ax0 by Molmil](/molmil-images/mine/2ax0) | Hepatitis C Virus NS5b RNA Polymerase in complex with a covalent inhibitor (5x) | 分子名称: | 5R-(2E-METHYL-3-PHENYL-ALLYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE, Genome polyprotein, SULFATE ION | 著者 | Powers, J.P, Piper, D.E, Li, Y, Mayorga, V, Anzola, J, Chen, J.M, Jaen, J.C, Lee, G, Liu, J, Peterson, M.G, Tonn, G.R, Ye, Q, Walker, N.P, Wang, Z. | 登録日 | 2005-09-02 | 公開日 | 2006-01-24 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | SAR and Mode of Action of Novel Non-Nucleoside Inhibitors of Hepatitis C NS5b RNA Polymerase. J.Med.Chem., 49, 2006
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2AWZ
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![BU of 2awz by Molmil](/molmil-images/mine/2awz) | Hepatitis C Virus NS5b RNA Polymerase in complex with a covalent inhibitor (5h) | 分子名称: | 5R-(4-BROMOPHENYLMETHYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE, Genome polyprotein, SULFATE ION | 著者 | Powers, J.P, Piper, D.E, Li, Y, Mayorga, V, Anzola, J, Chen, J.M, Jaen, J.C, Lee, G, Liu, J, Peterson, M.G, Tonn, G.R, Ye, Q, Walker, N.P, Wang, Z. | 登録日 | 2005-09-02 | 公開日 | 2006-01-24 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | SAR and Mode of Action of Novel Non-Nucleoside Inhibitors of Hepatitis C NS5b RNA Polymerase. J.Med.Chem., 49, 2006
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5A3I
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![BU of 5a3i by Molmil](/molmil-images/mine/5a3i) | Crystal Structure of a Complex formed between FLD194 Fab and Transmissible Mutant H5 Haemagglutinin | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANTI-HAEMAGGLUTININ HA1 FAB HEAVY CHAIN, ... | 著者 | Xiong, X, Corti, D, Liu, J, Pinna, D, Foglierini, M, Calder, L.J, Martin, S.R, Lin, Y.P, Walker, P.A, Collins, P.J, Monne, I, Suguitan Jr, A.L, Santos, C, Temperton, N.J, Subbarao, K, Lanzavecchia, A, Gamblin, S.J, Skehel, J.J. | 登録日 | 2015-06-01 | 公開日 | 2015-07-22 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | 主引用文献 | Structures of Complexes Formed by H5 Influenza Hemagglutinin with a Potent Broadly Neutralizing Human Monoclonal Antibody. Proc.Natl.Acad.Sci.USA, 112, 2015
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3B57
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![BU of 3b57 by Molmil](/molmil-images/mine/3b57) | Crystal structure of the Lin1889 protein (Q92AN1) from Listeria innocua. Northeast Structural Consortium target LkR65 | 分子名称: | Lin1889 protein, MAGNESIUM ION | 著者 | Kuzin, A.P, Abashidze, M, Seetharaman, J, Benach, J, Forouhar, F, Vorobiev, S.M, Wang, H, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2007-10-25 | 公開日 | 2007-11-06 | 最終更新日 | 2018-01-24 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Crystal structure of the Lin1889 protein (Q92AN1) from Listeria innocua. To be Published
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1P53
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![BU of 1p53 by Molmil](/molmil-images/mine/1p53) | The Crystal Structure of ICAM-1 D3-D5 fragment | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Intercellular adhesion molecule-1 | 著者 | Yang, Y, Jun, C.D, Liu, J.H, Zhang, R, Jochimiak, A, Springer, T.A, Wang, J.H. | 登録日 | 2003-04-24 | 公開日 | 2004-05-04 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3.06 Å) | 主引用文献 | Structural basis for dimerization of ICAM-1 on the cell surface. Mol.Cell, 14, 2004
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5E8R
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![BU of 5e8r by Molmil](/molmil-images/mine/5e8r) | Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae) | 分子名称: | CHLORIDE ION, N-methyl-N-({4-[4-(propan-2-yloxy)phenyl]-1H-pyrrol-3-yl}methyl)ethane-1,2-diamine, Protein arginine N-methyltransferase 6, ... | 著者 | DONG, A, ZENG, H, LIU, J, TEMPEL, W, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, JIN, J, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | 登録日 | 2015-10-14 | 公開日 | 2015-12-09 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | A Potent, Selective, and Cell-Active Inhibitor of Human Type I Protein Arginine Methyltransferases. Acs Chem.Biol., 11, 2016
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3CFU
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![BU of 3cfu by Molmil](/molmil-images/mine/3cfu) | Crystal structure of the yjhA protein from Bacillus subtilis. Northeast Structural Genomics Consortium target SR562 | 分子名称: | Uncharacterized lipoprotein yjhA | 著者 | Vorobiev, S.M, Chen, Y, Kuzin, A.P, Seetharaman, J, Forouhar, F, Zhao, L, Mao, L, Maglaqui, M, Xiao, R, Liu, J, Swapna, G, Huang, J.Y, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2008-03-04 | 公開日 | 2008-03-18 | 最終更新日 | 2017-10-25 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structure of the yjhA protein from Bacillus subtilis. To be Published
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3CET
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![BU of 3cet by Molmil](/molmil-images/mine/3cet) | Crystal structure of the pantheonate kinase-like protein Q6M145 at the resolution 1.8 A. Northeast Structural Genomics Consortium target MrR63 | 分子名称: | Conserved archaeal protein, SULFATE ION | 著者 | Kuzin, A.P, Su, M, Seetharaman, J, Forouhar, F, Wang, D, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, J.F, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2008-02-29 | 公開日 | 2008-03-18 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of the pantheonate kinase-like protein Q6M145 at the resolution 1.8 A. Northeast Structural Genomics Consortium target MrR63. To be Published
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3D4N
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![BU of 3d4n by Molmil](/molmil-images/mine/3d4n) | Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Sulfonamide Inhibitor | 分子名称: | 1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Wang, Z, Liu, J, Sudom, A, Walker, N.P. | 登録日 | 2008-05-14 | 公開日 | 2008-07-22 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of Novel, Potent Benzamide Inhibitors of 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1) Exhibiting Oral Activity in an Enzyme Inhibition ex Vivo Model J.Med.Chem., 51, 2008
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2AX1
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![BU of 2ax1 by Molmil](/molmil-images/mine/2ax1) | Hepatitis C Virus NS5b RNA Polymerase in complex with a covalent inhibitor (5ee) | 分子名称: | 5R-(3,4-DICHLOROPHENYLMETHYL)-3-(2-THIOPHENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE, Genome polyprotein, SULFATE ION | 著者 | Powers, J.P, Piper, D.E, Li, Y, Mayorga, V, Anzola, J, Chen, J.M, Jaen, J.C, Lee, G, Liu, J, Peterson, M.G, Tonn, G.R, Ye, Q, Walker, N.P, Wang, Z. | 登録日 | 2005-09-02 | 公開日 | 2006-01-24 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | SAR and Mode of Action of Novel Non-Nucleoside Inhibitors of Hepatitis C NS5b RNA Polymerase. J.Med.Chem., 49, 2006
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3D3E
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![BU of 3d3e by Molmil](/molmil-images/mine/3d3e) | Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Benzamide Inhibitor | 分子名称: | Corticosteroid 11-beta-dehydrogenase isozyme 1, N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Wang, Z, Sudom, A, Liu, J, Walker, N.P. | 登録日 | 2008-05-09 | 公開日 | 2008-07-01 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Discovery of Novel, Potent Benzamide Inhibitors of 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1) Exhibiting Oral Activity in an Enzyme Inhibition ex Vivo Model J.Med.Chem., 51, 2008
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