PDB: 215264 resultsInfo pagesStatus searchChemie searchBIRD

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3DU8	Crystal structure of GSK-3 beta in complex with NMS-869553A Descriptor: (7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Glycogen synthase kinase-3 beta Authors: Bossi, R.T. Deposit date: 2008-07-17 Release date: 2009-03-03 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.2 Å) Cite: First Cdc7 kinase inhibitors: pyrrolopyridinones as potent and orally active antitumor agents. 2. Lead discovery. J.Med.Chem., 52, 2009
149D	SOLUTION STRUCTURE OF A PYRIMIDINE(DOT)PURINE(DOT) PYRIMIDINE DNA TRIPLEX CONTAINING T(DOT)AT, C+(DOT)GC AND G(DOT)TA TRIPLES Descriptor: 5'-D(*CP*CP*TP*AP*TP*TP*C)-3', 5'-D(*CP*TP*TP*GP*TP*CP*C)-3', 5'-D(*GP*AP*AP*TP*AP*GP*G)-3' Authors: Radhakrishnan, I, Patel, D.J. Deposit date: 1993-11-15 Release date: 1994-04-30 Last modified: 2024-05-22 Method: SOLUTION NMR Cite: Solution structure of a pyrimidine.purine.pyrimidine DNA triplex containing T.AT, C+.GC and G.TA triples. Structure, 2, 1994
4JLV	Crystal structure of the chimerical protein CapA1B1 in complex with ADP-Mg Descriptor: ADENOSINE-5'-DIPHOSPHATE, C-terminal fragment of Membrane protein CapA1, Putative uncharacterized protein capB1, ... Authors: Gruszczyk, J, Olivares-Illana, V, Nourikyan, J, Fleurie, A, Bechet, E, Aumont-Nicaise, M, Gueguen-Chaignon, V, Morera, S, Grangeasse, C, Nessler, S. Deposit date: 2013-03-13 Release date: 2014-02-05 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Comparative analysis of the Tyr-kinases CapB1 and CapB2 fused to their cognate modulators CapA1 and CapA2 from Staphylococcus aureus Plos One, 8, 2013
4JJ0	Crystal structure of MamP Descriptor: GLYCEROL, HEME C, MamP Authors: Siponen, M, Pignol, D, Arnoux, P. Deposit date: 2013-03-07 Release date: 2013-10-09 Last modified: 2013-11-13 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structural insight into magnetochrome-mediated magnetite biomineralization. Nature, 502, 2013
2KOD	A high-resolution NMR structure of the dimeric C-terminal domain of HIV-1 CA Descriptor: HIV-1 CA C-terminal domain Authors: Byeon, I.-J.L, Jung, J, Ahn, J, concel, J, Gronenborn, A.M. Deposit date: 2009-09-18 Release date: 2009-11-24 Last modified: 2024-05-01 Method: SOLUTION NMR Cite: Structural convergence between Cryo-EM and NMR reveals intersubunit interactions critical for HIV-1 capsid function. Cell(Cambridge,Mass.), 139, 2009
4BMH	Crystal structure of SsHAT Descriptor: ACETYLTRANSFERASE, CHLORIDE ION Authors: He, Y, Turkenburg, J.P, Davies, G.J. Deposit date: 2013-05-08 Release date: 2014-01-15 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Three-Dimensional Structure of a Streptomyces Sviceus Gnat Acetyltransferase with Similarity to the C-Terminal Domain of the Human Gh84 O-Glcnacase Acta Crystallogr.,Sect.D, 70, 2014
5QXM	PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF789 Descriptor: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... Authors: Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. Deposit date: 2020-02-11 Release date: 2020-04-08 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.5 Å) Cite: PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
5QXL	PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF776 Descriptor: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... Authors: Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. Deposit date: 2020-02-11 Release date: 2020-04-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.57 Å) Cite: PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
5QXN	PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF826 Descriptor: (3aR,8S,9aS)-2-[(trifluoromethyl)sulfonyl]decahydro-3a,8-epoxypyrrolo[3,4-c]azocine, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... Authors: Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. Deposit date: 2020-02-11 Release date: 2020-04-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.41 Å) Cite: PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
1AN8	CRYSTAL STRUCTURE OF THE STREPTOCOCCAL SUPERANTIGEN SPE-C Descriptor: STREPTOCOCCAL PYROGENIC EXOTOXIN C Authors: Roussel, A, Baker, E.N. Deposit date: 1997-06-27 Release date: 1998-04-29 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Crystal structure of the streptococcal superantigen SPE-C: dimerization and zinc binding suggest a novel mode of interaction with MHC class II molecules. Nat.Struct.Biol., 4, 1997
3ZRM	Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors Descriptor: 7-(4-HYDROXYPHENYL)-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE, GLYCEROL, GLYCOGEN SYNTHASE KINASE-3 BETA, ... Authors: Gentile, G, Bernasconi, G, Pozzan, A, Merlo, G, Marzorati, P, Bamborough, P, Bax, B, Bridges, A, Brough, C, Carter, P, Cutler, G, Neu, M, Takada, M. Deposit date: 2011-06-17 Release date: 2011-06-29 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.49 Å) Cite: Identification of 2-(4-Pyridyl)Thienopyridinones as Gsk-3Beta Inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
3FRZ	Crystal Structure of HCV NS5B RNA polymerase in complex with PF868554 Descriptor: (6R)-6-cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one, BETA-MERCAPTOETHANOL, N-[(benzyloxy)carbonyl]-L-alpha-glutamyl-N-[(1S)-4-oxo-4-phenyl-1-propylbut-2-en-1-yl]-L-phenylalaninamide, ... Authors: Parge, H.E. Deposit date: 2009-01-08 Release date: 2009-03-10 Last modified: 2021-10-20 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Discovery of (R)-6-cyclopentyl-6-(2-(2,6-diethylpyridin-4-yl)ethyl)-3-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl)-4-hydroxy-5,6-dihydropyran-2-one (PF-00868554) as a potent and orally available hepatitis C virus polymerase inhibitor. J.Med.Chem., 52, 2009
3ZRK	Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors Descriptor: 2-(4-PYRIDINYL)FURO[3,2-C]PYRIDIN-4(5H)-ONE, GLYCEROL, GLYCOGEN SYNTHASE KINASE-3 BETA, ... Authors: Gentile, G, Bernasconi, G, Pozzan, A, Merlo, G, Marzorati, P, Bamborough, P, Bax, B, Bridges, A, Brough, C, Carter, P, Cutler, G, Neu, M, Takada, M. Deposit date: 2011-06-16 Release date: 2011-06-29 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.37 Å) Cite: Identification of 2-(4-Pyridyl)Thienopyridinones as Gsk-3Beta Inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
3ZRL	Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors Descriptor: 7-BROMO-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE, GLYCEROL, GLYCOGEN SYNTHASE KINASE-3 BETA, ... Authors: Gentile, G, Bernasconi, G, Pozzan, A, Merlo, G, Marzorati, P, Bamborough, P, Bax, B, Bridges, A, Brough, C, Carter, P, Cutler, G, Neu, M, Takada, M. Deposit date: 2011-06-17 Release date: 2011-06-29 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.48 Å) Cite: Identification of 2-(4-Pyridyl)Thienopyridinones as Gsk-3Beta Inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
4K3I	Crystal Structure of the Quinol Form of Methylamine Dehydrogenase in Complex with the Diferrous Form of MauG, C2 Space Group Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... Authors: Yukl, E.Y, Wilmot, C.M. Deposit date: 2013-04-10 Release date: 2013-07-10 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (2 Å) Cite: Structures of MauG in complex with quinol and quinone MADH. Acta Crystallogr.,Sect.F, 69, 2013
3Q0X	N-terminal coiled-coil dimer domain of C. reinhardtii SAS-6 homolog Bld12p Descriptor: Centriole protein Authors: Kitagawa, D, Vakonakis, I, Olieric, N, Hilbert, M, Keller, D, Olieric, V, Bortfeld, M, Erat, M.C, Flueckiger, I, Goenczy, P, Steinmetz, M.O. Deposit date: 2010-12-16 Release date: 2011-02-09 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (3.02 Å) Cite: Structural basis of the 9-fold symmetry of centrioles. Cell(Cambridge,Mass.), 144, 2011
1B09	HUMAN C-REACTIVE PROTEIN COMPLEXED WITH PHOSPHOCHOLINE Descriptor: CALCIUM ION, PHOSPHOCHOLINE, PROTEIN (C-REACTIVE PROTEIN) Authors: Thompson, D, Pepys, M.B, Wood, S.P. Deposit date: 1998-11-18 Release date: 1999-12-03 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.5 Å) Cite: The physiological structure of human C-reactive protein and its complex with phosphocholine. Structure Fold.Des., 7, 1999
3OZ5	S-Methyl Carbocyclic LNA Descriptor: DNA (5'-D(*GP*CP*GP*TP*AP*(UMX)P*AP*CP*GP*C)-3'), SPERMINE Authors: Seth, P.R, Allerson, C.A, Berdeja, A, Siwkowski, A, Pallan, P.S, Gaus, H, Prakash, T.P, Watt, A.T, Egli, M, Swayze, E.E. Deposit date: 2010-09-24 Release date: 2010-11-24 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.36 Å) Cite: An exocyclic methylene group acts as a bioisostere of the 2'-oxygen atom in LNA. J.Am.Chem.Soc., 132, 2010
2GIY	Crystal Structure of the C-terminal domain of the HSV-1 gE ectodomain Descriptor: Glycoprotein E Authors: Sprague, E.R, Wang, C, Baker, D, Bjorkman, P.J. Deposit date: 2006-03-29 Release date: 2006-05-30 Last modified: 2017-10-18 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Crystal Structure of the HSV-1 Fc Receptor Bound to Fc Reveals a Mechanism for Antibody Bipolar Bridging. Plos Biol., 4, 2006
4DOY	Crystal structure of Dibenzothiophene desulfurization enzyme C Descriptor: Dibenzothiophene desulfurization enzyme C, GLYCEROL Authors: Liu, S, Zhang, C, Zhu, D, Gu, L. Deposit date: 2012-02-12 Release date: 2013-02-13 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.789 Å) Cite: Crystal structure of DszC from Rhodococcus sp. XP at 1.79 angstrom Proteins, 82, 2014
1AF9	TETANUS NEUROTOXIN C FRAGMENT Descriptor: TETANUS NEUROTOXIN Authors: Umland, T.C, Wingert, L, Swaminathan, S, Furey, W.F, Schmidt, J.J, Sax, M. Deposit date: 1997-03-24 Release date: 1998-04-29 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Structure of the receptor binding fragment HC of tetanus neurotoxin. Nat.Struct.Biol., 4, 1997
4CE1	Hsp90 N-terminal domain bound to macrolactam analogues of radicicol. Descriptor: 15-Chloro-16,18-dihydroxy-2-methyl-3,4,7,8,9,10,11,12-octahydrobenz[c][1]azacyclohexadecine-1,13(2H,14H)-dione, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 Authors: Roe, S.M, Parry-Morris, S, Prodromou, C. Deposit date: 2013-11-08 Release date: 2014-01-29 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.01 Å) Cite: Synthesis of Macrolactam Analogues of Radicicol and Their Binding to Heat Shock Protein Hsp90. Org.Biomol.Chem., 12, 2014
3GNW	HCV NS5B polymerase in complex with 1,5 benzodiazepine inhibitor 4c Descriptor: (11S)-11-[4-(benzyloxy)-2-fluorophenyl]-3,3-dimethyl-10-[(6-methylpyridin-2-yl)carbonyl]-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide, CHLORIDE ION, RNA-directed RNA polymerase Authors: Nyanguile, O, De Bondt, H. Deposit date: 2009-03-18 Release date: 2009-10-20 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.39 Å) Cite: Structure-based design of a benzodiazepine scaffold yields a potent allosteric inhibitor of hepatitis C NS5B RNA polymerase. J.Med.Chem., 52, 2009
4F83	Crystal structure of the receptor binding domain of botulinum neurotoxin mosaic serotype C/D with a tetraethylene glycol molecule bound on the Hcn sub-domain and a sulfate ion at the putative active site Descriptor: GLYCEROL, SULFATE ION, TETRAETHYLENE GLYCOL, ... Authors: Zhang, Y, Buchko, G.W, Gardberg, A, Edwards, T.E, Sankaran, B, Robinson, H, Varnum, S.M, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2012-05-16 Release date: 2012-06-20 Last modified: 2013-06-12 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structural insights into the functional role of the Hcn sub-domain of the receptor-binding domain of the botulinum neurotoxin mosaic serotype C/D. Biochimie, 95, 2013
3GM6	Structure of the Thioalkalivibrio nitratireducens cytochrome c nitrite reductase in complex with phosphate Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... Authors: Trofimov, A.A, Polyakov, K.M, Boyko, K.M, Filimonenkov, A.A, Dorovatovsky, P.V, Tikhonova, T.V, Popov, V.O. Deposit date: 2009-03-13 Release date: 2009-08-04 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structure of octaheme cytochrome c nitrite reductase from Thioalkalivibrio nitratireducens in a complex with phosphate Crystallography Reports, 55, 2010

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