6EZF
 
 | | PDE2 in complex with molecule 5 | | Descriptor: | 6-[(2,4-dichlorophenyl)methyl]pyridazine-3-thiol, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Tresadern, G, Perez-Benito, L, Keraenen, H, van Vlijmen, H. | | Deposit date: | 2017-11-15 | | Release date: | 2018-04-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Predicting Binding Free Energies of PDE2 Inhibitors. The Difficulties of Protein Conformation.
Sci Rep, 8, 2018
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3KPE
 | | Solution structure of the respiratory syncytial virus (RSV)six-helix bundle complexed with TMC353121, a small-moleucule inhibitor of RSV | | Descriptor: | 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 | | Authors: | Roymans, D, De Bondt, H, Arnoult, E, Cummings, M.D, Van Vlijmen, H, Andries, K. | | Deposit date: | 2009-11-16 | | Release date: | 2009-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | 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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2BDN
 | | Crystal structure of human MCP-1 bound to a blocking antibody, 11K2 | | Descriptor: | Antibody heavy chain 11K2, Antibody light chain 11K2, Small inducible cytokine A2 | | Authors: | Boriack-Sjodin, P.A, Rushe, M, Reid, C, Jarpe, M, van Vlijmen, H, Bailly, V. | | Deposit date: | 2005-10-20 | | Release date: | 2006-06-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structure activity relationships of monocyte chemoattractant proteins in complex with a blocking antibody.
Protein Eng.Des.Sel., 19, 2006
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8FU3
 | | Structure Of Respiratory Syncytial Virus Polymerase with Novel Non-Nucleoside Inhibitor | | Descriptor: | 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 | | Authors: | 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. | | Deposit date: | 2023-01-16 | | Release date: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | 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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6Z1T
 | | MAP3K14 (NIK) in complex with 4S/3694 | | Descriptor: | 4S/3694, Mitogen-activated protein kinase kinase kinase 14 | | Authors: | Jacoby, E, van Vlijmen, H, Querolle, O, Stansfield, I, Meerpoel, L, Versele, M, Hynd, G, Attar, R. | | Deposit date: | 2020-05-14 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | 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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6Z1Q
 | | MAP3K14 (NIK) in complex with DesF-3R/4076 | | Descriptor: | DesF-3R/4076, Mitogen-activated protein kinase kinase kinase 14 | | Authors: | Jacoby, E, van Vlijmen, H, Querolle, O, Stansfield, I, Meerpoel, L, Versele, M, Hynd, G, Attar, R. | | Deposit date: | 2020-05-14 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | 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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4KY1
 | | humanized HP1/2 Fab | | Descriptor: | IMMUNOGLOBULIN IGG1 FAB, HEAVY CHAIN, LIGHT CHAIN | | Authors: | 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. | | Deposit date: | 2013-05-28 | | Release date: | 2013-07-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Antibody humanization by redesign of complementarity-determining region residues proximate to the acceptor framework.
METHODS (SAN DIEGO), 65, 2014
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3BQN
 | | LFA-1 I domain bound to inhibitors | | Descriptor: | 4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl}morpholine, Integrin alpha-L | | Authors: | Silvian, L.F. | | Deposit date: | 2007-12-20 | | Release date: | 2008-08-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-activity relationship of ortho- and meta-phenol based LFA-1 ICAM inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
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3E2M
 | | LFA-1 I domain bound to inhibitors | | Descriptor: | 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 | | Authors: | Silvian, L.F. | | Deposit date: | 2008-08-05 | | Release date: | 2008-08-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-activity relationship of ortho- and meta-phenol based LFA-1 ICAM inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
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2B2X
 | | VLA1 RdeltaH I-domain complexed with a quadruple mutant of the AQC2 Fab | | Descriptor: | Antibody AQC2 Fab, Integrin alpha-1, MAGNESIUM ION | | Authors: | 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. | | Deposit date: | 2005-09-19 | | Release date: | 2006-04-18 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Affinity enhancement of an in vivo matured therapeutic antibody using structure-based computational design
Protein Sci., 15, 2006
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