3FHD
 
 | | Crystal structure of the Shutoff and Exonuclease Protein from Kaposis Sarcoma Associated Herpesvirus | | Descriptor: | MAGNESIUM ION, ORF 37, SULFATE ION | | Authors: | Dahlroth, S.L, Gurmu, D, Schmitzberger, F, Haas, J, Erlandsen, H, Nordlund, P. | | Deposit date: | 2008-12-09 | | Release date: | 2009-11-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of the shutoff and exonuclease protein from the oncogenic Kaposi's sarcoma-associated herpesvirus
Febs J., 276, 2009
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8AIQ
 | | Mpro of SARS COV-2 in complex with the MG-87 inhibitor | | Descriptor: | CHLORIDE ION, Replicase polyprotein 1ab, ~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{S},3~{R})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | | Authors: | El Kilani, H, Hilgenfeld, R. | | Deposit date: | 2022-07-27 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Main Protease SARS-COV-2 in complex with the inhibitor MG-87
To Be Published
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8AIV
 | | Mpro of SARS COV-2 in complex with the MG-100 inhibitor | | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | | Authors: | El Kilani, H, Hilgenfeld, R. | | Deposit date: | 2022-07-27 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Main Protease SARS-COV-2 in complex with the inhibitor MG-100
To Be Published
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8AIU
 | | Mpro of SARS COV-2 in complex with the MG-97 inhibitor | | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | | Authors: | El Kilani, H, Hilgenfeld, R. | | Deposit date: | 2022-07-27 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Main Protease SARS-COV-2 in complex with the inhibitor MG-97
To Be Published
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8AIZ
 | | Mpro of SARS-CoV-2 in complex with the RK-68 inhibitor | | Descriptor: | (2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxidanylidene-3-(2-phenylethanoylamino)pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide, CHLORIDE ION, Replicase polyprotein 1ab | | Authors: | El Kilani, H, Hilgenfeld, R. | | Deposit date: | 2022-07-27 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.992 Å) | | Cite: | Main Protease SARS-CoV-2 in complex with the inhibitor RK-68
To Be Published
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2PAH
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3AG5
 | | Crystal Structure of Pantothenate Synthetase from Staphylococcus aureus | | Descriptor: | Pantothenate synthetase | | Authors: | Satoh, A, Konishi, S, Tamura, H, Stickland, H.G, Whitney, H.M, Smith, A.G, Matsumura, H, Inoue, T. | | Deposit date: | 2010-03-19 | | Release date: | 2010-07-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Substrate-induced closing of the active site revealed by the crystal structure of pantothenate synthetase from Staphylococcus aureus.
Biochemistry, 49, 2010
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6B8K
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1PAH
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6F83
 | | Crystal Structure of Human Galectin-1 in Complex With Thienyl-1,2, 3-triazolyl Thiodigalactoside Inhibitor | | Descriptor: | 3-deoxy-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-1-thio-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranoside, Galectin-1 | | Authors: | Collins, P.M, Blanchard, H. | | Deposit date: | 2017-12-12 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Aromatic heterocycle galectin-1 interactions for selective single-digit nM affinity ligands
To be published
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4JCK
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1VJY
 | | Crystal Structure of a Naphthyridine Inhibitor of Human TGF-beta Type I Receptor | | Descriptor: | 2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE, TGF-beta receptor type I | | Authors: | Gellibert, F, Woolven, J, Fouchet, M.-H, Mathews, N, Goodland, H, Lovegrove, V, Laroze, A, Nguyen, V.-L, Sautet, S, Wang, R, Janson, C, Smith, W, Krysa, G, Boullay, V, de Gouville, A.-C, Huet, S, Hartley, D. | | Deposit date: | 2004-04-07 | | Release date: | 2004-08-31 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification of 1,5-Naphthyridine Derivatives as a Novel Series of Potent and Selective TGF-beta Type I Receptor Inhibitors.
J.Med.Chem., 47, 2004
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4LBM
 | | Crystal structure of Human galectin-3 CRD in complex with LNT | | Descriptor: | CHLORIDE ION, Galectin-3, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Collins, P.M, Blanchard, H. | | Deposit date: | 2013-06-20 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Galectin-3 interactions with glycosphingolipids.
J.Mol.Biol., 426, 2014
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4DJB
 | | A Structural Basis for the Assembly and Functions of a Viral Polymer that Inactivates Multiple Tumor Suppressors | | Descriptor: | E4-ORF3 | | Authors: | Ou, H.D, Kwiatkowski, W, Deerinck, T.J, Noske, A, Blain, K.Y, Land, H.S, Soria, C, Powers, C.J, May, A.P, Shu, X, Tsien, R.Y, Fitzpatrick, J.A.J, Long, J.A, Ellisman, M.H, Choe, S, O'Shea, C.C. | | Deposit date: | 2012-02-01 | | Release date: | 2012-10-31 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.053 Å) | | Cite: | A Structural Basis for the Assembly and Functions of a Viral Polymer that Inactivates Multiple Tumor Suppressors.
Cell(Cambridge,Mass.), 151, 2012
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5T7U
 | | Crystal structure of galectin-8N in complex with Glycerol | | Descriptor: | CHLORIDE ION, GLYCEROL, Galectin-8, ... | | Authors: | Bohari, M.H, Yu, X, Blanchard, H. | | Deposit date: | 2016-09-05 | | Release date: | 2017-01-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structure-based rationale for differential recognition of lacto- and neolacto- series glycosphingolipids by the N-terminal domain of human galectin-8.
Sci Rep, 6, 2016
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2W17
 | | CDK2 in complex with the imidazole pyrimidine amide, compound (S)-8b | | Descriptor: | ACETATE ION, CELL DIVISION PROTEIN KINASE 2, N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-amine | | Authors: | Jones, C.D, Andrews, D.M, Barker, A.J, Blades, K, Daunt, P, East, S, Geh, C, Graham, M.A, Johnson, K.M, Loddick, S.A, McFarland, H.M, McGregor, A, Moss, L, Rudge, D.A, Simpson, P.B, Swain, M.L, Tam, K.Y, Tucker, J.A, Walker, M, Brassington, C, Haye, H, McCall, E. | | Deposit date: | 2008-10-15 | | Release date: | 2008-11-04 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The Discovery of Azd5597, a Potent Imidazole Pyrimidine Amide Cdk Inhibitor Suitable for Intravenous Dosing.
Bioorg.Med.Chem.Lett., 18, 2008
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5T7S
 | | Crystal structure of galectin-8N in complex with Lactose | | Descriptor: | GLYCEROL, Galectin-8, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Bohari, M.H, Yu, X, Blanchard, H. | | Deposit date: | 2016-09-05 | | Release date: | 2017-01-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-based rationale for differential recognition of lacto- and neolacto- series glycosphingolipids by the N-terminal domain of human galectin-8.
Sci Rep, 6, 2016
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5T7I
 | | Crystal structure of galectin-8N in complex with LNnT | | Descriptor: | Galectin-8, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Bohari, M.H, Yu, X, Blanchard, H. | | Deposit date: | 2016-09-05 | | Release date: | 2017-01-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based rationale for differential recognition of lacto- and neolacto- series glycosphingolipids by the N-terminal domain of human galectin-8.
Sci Rep, 6, 2016
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5AN5
 | | B. subtilis GpsB C-terminal Domain | | Descriptor: | CELL CYCLE PROTEIN GPSB, GLYCEROL | | Authors: | Rismondo, J, Cleverley, R.M, Lane, H.V, Grohennig, S, Steglich, A, Moller, L, Krishna Mannala, G, Hain, T, Lewis, R.J, Halbedel, S. | | Deposit date: | 2015-09-04 | | Release date: | 2015-11-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure of the Bacterial Cell Division Determinant Gpsb and its Interaction with Penicillin Binding Proteins.
Mol.Microbiol., 99, 2016
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5T7T
 | | Galectin-8 N terminal domain in complex with LNT | | Descriptor: | CHLORIDE ION, Galectin-8, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Bohari, M.H, Yu, X, Blanchard, H. | | Deposit date: | 2016-09-05 | | Release date: | 2017-01-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structure-based rationale for differential recognition of lacto- and neolacto- series glycosphingolipids by the N-terminal domain of human galectin-8.
Sci Rep, 6, 2016
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4JC1
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4O2A
 | | Tubulin-BAL27862 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(4-{1-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl}-1,2,5-oxadiazol-3-yl)amino]propanenitrile, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Prota, A.E, Franck, D, Bachmann, F, Bargsten, K, Buey, R.M, Pohlmann, J, Reinelt, S, Lane, H, Steinmetz, M.O. | | Deposit date: | 2013-12-17 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Novel Microtubule-Destabilizing Drug BAL27862 Binds to the Colchicine Site of Tubulin with Distinct Effects on Microtubule Organization.
J.Mol.Biol., 426, 2014
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4LBO
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4LBL
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6EUA
 | | The fibrinogen-like domain of human Angptl3 | | Descriptor: | Angiopoietin-related protein 3 | | Authors: | Biterova, E.I, Esmaeeli, M.E, Alanen, H.I, Saaranen, M, Ruddock, L.W. | | Deposit date: | 2017-10-30 | | Release date: | 2018-05-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.095 Å) | | Cite: | Structures of Angptl3 and Angptl4, modulators of triglyceride levels and coronary artery disease.
Sci Rep, 8, 2018
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