3KPE
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![BU of 3kpe by Molmil](/molmil-images/mine/3kpe) | Solution structure of the respiratory syncytial virus (RSV)six-helix bundle complexed with TMC353121, a small-moleucule inhibitor of RSV | 分子名称: | 2-[[6-[[[2-(3-hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(4-morpholinyl)propyl]amino]-1H-benzimidazol-1-yl]methyl]-6-methyl-3-pyridinol, Fusion glycoprotein F0, TETRAETHYLENE GLYCOL | 著者 | Roymans, D, De Bondt, H, Arnoult, E, Cummings, M.D, Van Vlijmen, H, Andries, K. | 登録日 | 2009-11-16 | 公開日 | 2009-12-22 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Binding of a potent small-molecule inhibitor of six-helix bundle formation requires interactions with both heptad-repeats of the RSV fusion protein. Proc.Natl.Acad.Sci.USA, 107, 2010
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6EZF
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![BU of 6ezf by Molmil](/molmil-images/mine/6ezf) | PDE2 in complex with molecule 5 | 分子名称: | 6-[(2,4-dichlorophenyl)methyl]pyridazine-3-thiol, GLYCEROL, MAGNESIUM ION, ... | 著者 | Tresadern, G, Perez-Benito, L, Keraenen, H, van Vlijmen, H. | 登録日 | 2017-11-15 | 公開日 | 2018-04-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Predicting Binding Free Energies of PDE2 Inhibitors. The Difficulties of Protein Conformation. Sci Rep, 8, 2018
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2BDN
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![BU of 2bdn by Molmil](/molmil-images/mine/2bdn) | Crystal structure of human MCP-1 bound to a blocking antibody, 11K2 | 分子名称: | Antibody heavy chain 11K2, Antibody light chain 11K2, Small inducible cytokine A2 | 著者 | Boriack-Sjodin, P.A, Rushe, M, Reid, C, Jarpe, M, van Vlijmen, H, Bailly, V. | 登録日 | 2005-10-20 | 公開日 | 2006-06-13 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Structure activity relationships of monocyte chemoattractant proteins in complex with a blocking antibody. Protein Eng.Des.Sel., 19, 2006
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8FU3
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![BU of 8fu3 by Molmil](/molmil-images/mine/8fu3) | Structure Of Respiratory Syncytial Virus Polymerase with Novel Non-Nucleoside Inhibitor | 分子名称: | 8-methoxy-3-methyl-N-{(2S)-3,3,3-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-hydroxypropyl}cinnoline-6-carboxamide, Phosphoprotein, RNA-directed RNA polymerase L | 著者 | Yu, X, Abeywickrema, P, Bonneux, B, Behera, I, Jacoby, E, Fung, A, Adhikary, S, Bhaumik, A, Carbajo, R.J, Bruyn, S.D, Miller, R, Patrick, A, Pham, Q, Piassek, M, Verheyen, N, Shareef, A, Sutto-Ortiz, P, Ysebaert, N, Vlijmen, H.V, Jonckers, T.H.M, Herschke, F, McLellan, J.S, Decroly, E, Fearns, R, Grosse, S, Roymans, D, Sharma, S, Rigaux, P, Jin, Z. | 登録日 | 2023-01-16 | 公開日 | 2023-11-01 | 実験手法 | ELECTRON MICROSCOPY (2.88 Å) | 主引用文献 | Structural and mechanistic insights into the inhibition of respiratory syncytial virus polymerase by a non-nucleoside inhibitor. Commun Biol, 6, 2023
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4KY1
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![BU of 4ky1 by Molmil](/molmil-images/mine/4ky1) | humanized HP1/2 Fab | 分子名称: | IMMUNOGLOBULIN IGG1 FAB, HEAVY CHAIN, LIGHT CHAIN | 著者 | Arndt, J.W, Hanf, K.J.M, Lugovskoy, A, Chen, L.L, Jarpe, M, Boriack-Sjodin, A, Li, Y, van Vlijmen, H, Pepinsky, B, Taylor, F, Silvian, L, Taveras, A. | 登録日 | 2013-05-28 | 公開日 | 2013-07-24 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.97 Å) | 主引用文献 | Antibody humanization by redesign of complementarity-determining region residues proximate to the acceptor framework. METHODS (SAN DIEGO), 65, 2014
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6Z1Q
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![BU of 6z1q by Molmil](/molmil-images/mine/6z1q) | MAP3K14 (NIK) in complex with DesF-3R/4076 | 分子名称: | DesF-3R/4076, Mitogen-activated protein kinase kinase kinase 14 | 著者 | Jacoby, E, van Vlijmen, H, Querolle, O, Stansfield, I, Meerpoel, L, Versele, M, Hynd, G, Attar, R. | 登録日 | 2020-05-14 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | FEP+ calculations predict a stereochemical SAR switch for first-in-class indoline NIK inhibitors for multiple myeloma Future Drug Discov, 2, 2020
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6Z1T
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![BU of 6z1t by Molmil](/molmil-images/mine/6z1t) | MAP3K14 (NIK) in complex with 4S/3694 | 分子名称: | 4S/3694, Mitogen-activated protein kinase kinase kinase 14 | 著者 | Jacoby, E, van Vlijmen, H, Querolle, O, Stansfield, I, Meerpoel, L, Versele, M, Hynd, G, Attar, R. | 登録日 | 2020-05-14 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | FEP+ calculations predict a stereochemical SAR switch for first-in-class indoline NIK inhibitors for multiple myeloma Future Drug Discov, 2, 2020
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3BQN
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![BU of 3bqn by Molmil](/molmil-images/mine/3bqn) | LFA-1 I domain bound to inhibitors | 分子名称: | 4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl}morpholine, Integrin alpha-L | 著者 | Silvian, L.F. | 登録日 | 2007-12-20 | 公開日 | 2008-08-19 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-activity relationship of ortho- and meta-phenol based LFA-1 ICAM inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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3E2M
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![BU of 3e2m by Molmil](/molmil-images/mine/3e2m) | LFA-1 I domain bound to inhibitors | 分子名称: | Integrin alpha-L, cis-4-{[2-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)phenoxy]methyl}cyclohexanecarboxylic acid | 著者 | Silvian, L.F. | 登録日 | 2008-08-05 | 公開日 | 2008-08-19 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-activity relationship of ortho- and meta-phenol based LFA-1 ICAM inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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2B2X
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![BU of 2b2x by Molmil](/molmil-images/mine/2b2x) | VLA1 RdeltaH I-domain complexed with a quadruple mutant of the AQC2 Fab | 分子名称: | Antibody AQC2 Fab, Integrin alpha-1, MAGNESIUM ION | 著者 | Clark, L.A, Boriack-Sjodin, P.A, Eldredge, J, Fitch, C, Friedman, B, Hanf, K.J, Jarpe, M, Liparoto, S.F, Li, Y, Lugovskoy, A. | 登録日 | 2005-09-19 | 公開日 | 2006-04-18 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Affinity enhancement of an in vivo matured therapeutic antibody using structure-based computational design Protein Sci., 15, 2006
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