3DU8
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![BU of 3du8 by Molmil](/molmil-images/mine/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
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149D
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4JLV
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![BU of 4jlv by Molmil](/molmil-images/mine/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
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4JJ0
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![BU of 4jj0 by Molmil](/molmil-images/mine/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
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2KOD
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![BU of 2kod by Molmil](/molmil-images/mine/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
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4BMH
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![BU of 4bmh by Molmil](/molmil-images/mine/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
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5QXM
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![BU of 5qxm by Molmil](/molmil-images/mine/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
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5QXL
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![BU of 5qxl by Molmil](/molmil-images/mine/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
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5QXN
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![BU of 5qxn by Molmil](/molmil-images/mine/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
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1AN8
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![BU of 1an8 by Molmil](/molmil-images/mine/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
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3ZRM
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![BU of 3zrm by Molmil](/molmil-images/mine/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
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3FRZ
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![BU of 3frz by Molmil](/molmil-images/mine/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
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3ZRK
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![BU of 3zrk by Molmil](/molmil-images/mine/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
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3ZRL
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![BU of 3zrl by Molmil](/molmil-images/mine/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
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4K3I
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![BU of 4k3i by Molmil](/molmil-images/mine/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
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3Q0X
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![BU of 3q0x by Molmil](/molmil-images/mine/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
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1B09
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3OZ5
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![BU of 3oz5 by Molmil](/molmil-images/mine/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
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2GIY
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4DOY
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![BU of 4doy by Molmil](/molmil-images/mine/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
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1AF9
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![BU of 1af9 by Molmil](/molmil-images/mine/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
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4CE1
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![BU of 4ce1 by Molmil](/molmil-images/mine/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
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3GNW
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![BU of 3gnw by Molmil](/molmil-images/mine/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
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4F83
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![BU of 4f83 by Molmil](/molmil-images/mine/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
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3GM6
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![BU of 3gm6 by Molmil](/molmil-images/mine/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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