4G1D
 
 | | Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor | | Descriptor: | 3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | Authors: | Ciesielski, F, Sato, Y, Moras, D, Rochel, N. | | Deposit date: | 2012-07-10 | | Release date: | 2012-09-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
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4G1L
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4GAY
 | | Structure of the broadly neutralizing antibody AP33 | | Descriptor: | NEUTRALIZING ANTIBODY AP33 HEAVY CHAIN, NEUTRALIZING ANTIBODY AP33 LIGHT CHAIN, TRIETHYLENE GLYCOL | | Authors: | Potter, J.A, Owsianka, A, Jeffery, N, Matthews, D, Keck, Z, Lau, P, Foung, S.K.H, Taylor, G.L, Patel, A.H. | | Deposit date: | 2012-07-26 | | Release date: | 2012-10-10 | | Last modified: | 2012-11-21 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Toward a Hepatitis C Virus Vaccine: the Structural Basis of Hepatitis C Virus Neutralization by AP33, a Broadly Neutralizing Antibody.
J.Virol., 86, 2012
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3CKN
 | | Crystal Structure of a Mycobacterial Protein | | Descriptor: | MANGANESE (II) ION, Putative uncharacterized protein, SULFATE ION, ... | | Authors: | Marland, Z, Rossjohn, J. | | Deposit date: | 2008-03-16 | | Release date: | 2008-07-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of a UDP-glucose-specific glycosyltransferase from a Mycobacterium species.
J.Biol.Chem., 283, 2008
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4G1W
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4G22
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3CL7
 | | Crystal structure of Puue Allantoinase in complex with Hydantoin | | Descriptor: | Puue Allantoinase, imidazolidine-2,4-dione | | Authors: | Ramazzina, I, Cendron, L, Folli, C, Berni, R, Monteverdi, D, Zanotti, G, Percudani, R. | | Deposit date: | 2008-03-18 | | Release date: | 2008-06-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Logical identification of an allantoinase analog (puuE) recruited from polysaccharide deacetylases
J.Biol.Chem., 283, 2008
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4G35
 | | Mcl-1 in complex with a biphenyl cross-linked Noxa peptide. | | Descriptor: | 4,4'-bis(bromomethyl)biphenyl, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog, Noxa BH3 peptide (cysteine-mediated cross-linked) | | Authors: | Drake, E, Edwardraja, S, Lin, Q, Gulick, A.M. | | Deposit date: | 2012-07-13 | | Release date: | 2012-12-05 | | Last modified: | 2013-06-26 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rational design of proteolytically stable, cell-permeable peptide-based selective Mcl-1 inhibitors.
J.Am.Chem.Soc., 134, 2012
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4GC2
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3D3V
 | | The complex between TCR A6 and human Class I MHC HLA-A2 with the modified HTLV-1 TAX (Y5(3,4-difluoroPhenylalanine)) peptide | | Descriptor: | A6 TCR alpha chain, A6 TCR beta chain, Beta-2-microglobulin, ... | | Authors: | Borbulevych, O.Y, Clemens, J.R, Baker, B.M. | | Deposit date: | 2008-05-12 | | Release date: | 2009-06-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Fluorine substitutions in an antigenic peptide selectively modulate T-cell receptor binding in a minimally perturbing manner.
Biochem.J., 423, 2009
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3CM7
 | | Crystal Structure of XIAP-BIR3 domain in complex with Smac-mimetic compuond, Smac005 | | Descriptor: | (3S,6S,7S,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-N-(diphenylmethyl)-7-(hydroxymethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide, Baculoviral IAP repeat-containing protein 4, ZINC ION | | Authors: | Mastrangelo, E, Cossu, F, Milani, M. | | Deposit date: | 2008-03-21 | | Release date: | 2008-10-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Targeting the X-linked inhibitor of apoptosis protein through 4-substituted azabicyclo[5.3.0]alkane smac mimetics. Structure, activity, and recognition principles.
J.Mol.Biol., 384, 2008
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4GCJ
 | | CDK2 in complex with inhibitor RC-3-89 | | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2012-07-30 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
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3CMI
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4G3I
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4G44
 | | Structure of P450 CYP121 in complex with lead compound MB286, 3-((1H-1,2,4-triazol-1-yl)methyl)aniline | | Descriptor: | 3-(1H-1,2,4-triazol-1-ylmethyl)aniline, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C. | | Deposit date: | 2012-07-16 | | Release date: | 2012-09-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121
Angew.Chem.Int.Ed.Engl., 51, 2012
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4GCW
 | | Crystal structure of RNase Z in complex with precursor tRNA(Thr) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ribonuclease Z, TRNA(THR), ... | | Authors: | Pellegrini, O, Li de la Sierra-Gallay, I, Piton, J, Gilet, L, Condon, C. | | Deposit date: | 2012-07-31 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Activation of tRNA Maturation by Downstream Uracil Residues in B. subtilis
Structure, 20, 2012
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3CMP
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4G4P
 | | Crystal structure of glutamine-binding protein from Enterococcus faecalis at 1.5 A | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Amino acid ABC transporter, amino acid-binding/permease protein, ... | | Authors: | Fulyani, F, Guskov, A, Zagar, A.V, Slotboom, D.-J, Poolman, B. | | Deposit date: | 2012-07-16 | | Release date: | 2013-07-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Functional Diversity of Tandem Substrate-Binding Domains in ABC Transporters from Pathogenic Bacteria.
Structure, 21, 2013
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3CMY
 | | Structure of a homeodomain in complex with DNA | | Descriptor: | 1,2-ETHANEDIOL, 5'-D(*DAP*DCP*DAP*DTP*DAP*DAP*DP*DCP*DGP*DAP*DTP*DTP*DAP*DC)-3', 5'-D(*DTP*DGP*DTP*DAP*DAP*DTP*DCP*DGP*DAP*DTP*DTP*DAP*DTP*DG)-3', ... | | Authors: | Birrane, G, Ladias, J.A.A, Soni, A. | | Deposit date: | 2008-03-24 | | Release date: | 2009-02-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural Basis for DNA Recognition by the Human PAX3 Homeodomain.
Biochemistry, 48, 2009
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3D5M
 | | Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor | | Descriptor: | N-({3-[(5S)-5-tert-butyl-1-(3-chloro-4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzis othiazol-7-yl}methyl)methanesulfonamide, RNA-directed RNA polymerase | | Authors: | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | | Deposit date: | 2008-05-16 | | Release date: | 2009-05-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-based design, synthesis, and biological evaluation of 1,1-dioxoisothiazole and benzo[b]thiophene-1,1-dioxide derivatives as novel inhibitors of hepatitis C virus NS5B polymerase.
Bioorg.Med.Chem.Lett., 18, 2008
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3D6G
 | | Fc fragment of IgG1 (Herceptin) with protein-A mimetic peptide dendrimer ligand. | | Descriptor: | 2-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-amino-5-carbamimidamido-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region | | Authors: | Bujacz, A.D, Redzynia, I, Bujacz, G.D, Dinon, F, Pengo, P, Fassina, G. | | Deposit date: | 2008-05-19 | | Release date: | 2009-06-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural characterization of a Protein A mimetic peptide dendrimer bound to human IgG.
J.Phys.Chem.B, 113, 2009
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4GDN
 | | Structure of FmtA-like protein | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Protein flp | | Authors: | Cougnoux, A, Gibold, L, Delmas, J, Robin, F, Dalmasso, G, Bonnet, R. | | Deposit date: | 2012-08-01 | | Release date: | 2012-10-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Analysis of Structure-Function Relationships in the Colibactin-Maturating Enzyme ClbP.
J.Mol.Biol., 424, 2012
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3CNC
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4G65
 | | Potassium transporter peripheral membrane component (trkA) from Vibrio vulnificus | | Descriptor: | CHLORIDE ION, SULFATE ION, TETRAETHYLENE GLYCOL, ... | | Authors: | Filippova, E.V, Wawrzak, Z, Skarina, T, Onopriyenko, O, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-07-18 | | Release date: | 2012-08-15 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Potassium transporter peripheral membrane component (trkA) from Vibrio vulnificus.
To be Published
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3D77
 | | Crystal structure of a pheromone binding protein mutant D35N, from Apis mellifera, soaked at pH 4.0 | | Descriptor: | 1,2-ETHANEDIOL, N-BUTYL-BENZENESULFONAMIDE, Pheromone-binding protein ASP1, ... | | Authors: | Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C. | | Deposit date: | 2008-05-20 | | Release date: | 2009-05-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Queen bee pheromone binding protein pH-induced domain swapping favors pheromone release
J.Mol.Biol., 390, 2009
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