8ASE
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![BU of 8ase by Molmil](/molmil-images/mine/8ase) | Crystal structure of Thrombin in complex with macrocycle T3 | Descriptor: | (8~{S},14~{S},18~{E})-8-[(4-chlorophenyl)methyl]-3,21-dithia-7,10,16-triazatricyclo[21.2.2.1^{10,14}]octacosa-1(26),18,23(27),24-tetraene-6,9,15-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Chinellato, M, Angelini, A, Nielsen, A, Heinis, C, Cendron, L. | Deposit date: | 2022-08-19 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal structure of Thrombin in complex with optimized macrocycles T1 and T3 To Be Published
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8ASF
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![BU of 8asf by Molmil](/molmil-images/mine/8asf) | Crystal structure of Thrombin in complex with macrocycle T1 | Descriptor: | 5-chloranyl-~{N}-[[(9~{S},15~{R})-8,14,17-tris(oxidanylidene)-3,20-dithia-7,13,16-triazatetracyclo[20.2.2.1^{5,7}.1^{9,13}]octacosa-1(25),22(26),23-trien-15-yl]methyl]thiophene-2-carboxamide, Thrombin heavy chain, Thrombin light chain | Authors: | Chinellato, M, Angelini, A, Nielsen, A, Heinis, C, Cendron, L. | Deposit date: | 2022-08-19 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Crystal structure of Thrombin in complex with optimized macrocycles T1 and T3 To Be Published
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7ZRA
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![BU of 7zra by Molmil](/molmil-images/mine/7zra) | Crystal structure of E.coli LexA in complex with nanobody NbSOS1(Nb14497) | Descriptor: | 1,2-ETHANEDIOL, LexA repressor, Nanobody NbSOS1 (Nb14497) | Authors: | Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L. | Deposit date: | 2022-05-04 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway. Structure, 30, 2022
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7Z57
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![BU of 7z57 by Molmil](/molmil-images/mine/7z57) | Crystal structure of Human Serum Albumin in complex with surfactant GenX (2,3,3,3-tetrafluoro-2-(heptafluoropropoxy) propanoate) | Descriptor: | (2R)-2,3,3,3-tetrakis(fluoranyl)-2-[1,1,2,2,3,3,3-heptakis(fluoranyl)propoxy]propanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Albumin, ... | Authors: | Liberi, S, Moro, G, Vascon, F, Linciano, S, De Toni, L, Angelin, A, Cendron, L. | Deposit date: | 2022-03-08 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Investigation of the Interaction between Human Serum Albumin and Branched Short-Chain Perfluoroalkyl Compounds. Chem.Res.Toxicol., 35, 2022
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4MNV
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![BU of 4mnv by Molmil](/molmil-images/mine/4mnv) | Crystal structure of bicyclic peptide UK729 bound as an acyl-enzyme intermediate to urokinase-type plasminogen activator (uPA) | Descriptor: | 1,3,5-tris(bromomethyl)benzene, ACETATE ION, GLYCEROL, ... | Authors: | Chen, S, Pojer, F, Heinis, C. | Deposit date: | 2013-09-11 | Release date: | 2014-02-05 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Peptide ligands stabilized by small molecules. Angew.Chem.Int.Ed.Engl., 53, 2014
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4MNW
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![BU of 4mnw by Molmil](/molmil-images/mine/4mnw) | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK749 | Descriptor: | 1,3,5-tris(bromomethyl)benzene, ACETATE ION, GLYCEROL, ... | Authors: | Chen, S, Pojer, F, Heinis, C. | Deposit date: | 2013-09-11 | Release date: | 2014-02-05 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Peptide ligands stabilized by small molecules. Angew.Chem.Int.Ed.Engl., 53, 2014
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4MNY
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![BU of 4mny by Molmil](/molmil-images/mine/4mny) | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK903 | Descriptor: | ACETATE ION, GLYCEROL, N,N',N''-benzene-1,3,5-triyltris(2-bromoacetamide), ... | Authors: | Chen, S, Pojer, F, Heinis, C. | Deposit date: | 2013-09-11 | Release date: | 2014-02-05 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Peptide ligands stabilized by small molecules. Angew.Chem.Int.Ed.Engl., 53, 2014
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4XT3
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![BU of 4xt3 by Molmil](/molmil-images/mine/4xt3) | Structure of a viral GPCR bound to human chemokine CX3CL1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fractalkine, G-protein coupled receptor homolog US28, ... | Authors: | Burg, J.S, Jude, K.M, Waghray, D, Garcia, K.C. | Deposit date: | 2015-01-22 | Release date: | 2015-03-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.801 Å) | Cite: | Structural biology. Structural basis for chemokine recognition and activation of a viral G protein-coupled receptor. Science, 347, 2015
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4XT1
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![BU of 4xt1 by Molmil](/molmil-images/mine/4xt1) | Structure of a nanobody-bound viral GPCR bound to human chemokine CX3CL1 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, Fractalkine, ... | Authors: | Burg, J.S, Jude, K.M, Waghray, D, Garcia, K.C. | Deposit date: | 2015-01-22 | Release date: | 2015-03-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.886 Å) | Cite: | Structural biology. Structural basis for chemokine recognition and activation of a viral G protein-coupled receptor. Science, 347, 2015
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4MNX
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![BU of 4mnx by Molmil](/molmil-images/mine/4mnx) | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK811 | Descriptor: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, GLYCEROL, SULFATE ION, ... | Authors: | Chen, S, Pojer, F, Heinis, C. | Deposit date: | 2013-09-11 | Release date: | 2014-02-05 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Peptide ligands stabilized by small molecules. Angew.Chem.Int.Ed.Engl., 53, 2014
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4IE9
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![BU of 4ie9 by Molmil](/molmil-images/mine/4ie9) | Bovine PKA C-alpha in complex with 3-pyridylmethyl-5-methyl-1H-pyrazole-3-carboxylate | Descriptor: | GLYCEROL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ... | Authors: | Dreyer, M.K, Schiffer, A, Lodge, J. | Deposit date: | 2012-12-13 | Release date: | 2013-05-01 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Accounting for Conformational Variability in Protein-Ligand Docking with NMR-Guided Rescoring J.Am.Chem.Soc., 135, 2013
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4IJ9
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![BU of 4ij9 by Molmil](/molmil-images/mine/4ij9) | Bovine PKA C-alpha in complex with 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone | Descriptor: | 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Dreyer, M.K, Schiffer, A. | Deposit date: | 2012-12-21 | Release date: | 2013-05-01 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Accounting for Conformational Variability in Protein-Ligand Docking with NMR-Guided Rescoring J.Am.Chem.Soc., 135, 2013
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