3R2X
 
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3RTP
 | | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration | | Descriptor: | Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | | Authors: | Bowers, S, Truong, A.P, Neitz, R.J, Hom, R.K, Sealy, J.M, Probst, G.D, Quincy, Q, Peterson, B, Chan, W, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Pan, H, Lin, M, Yao, N, Artis, D.R, Zhang, H, Chen, L, Dryer, M, Samant, B, Zmolek, W, Wong, K, Lorentzen, C, Goldbach, E, Tonn, G, Quinn, K.P, Sauer, J, Wright, S, Powell, K, Ruslim, L, Ren, Z, Bard, F, Yednock, T.A, Griswold-Prenne, I. | | Deposit date: | 2011-05-03 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration.
Bioorg.Med.Chem.Lett., 21, 2011
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3R92
 | | Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model. | | Descriptor: | (3aR)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14,15,17,18,19-dodecahydro-13H-10,6-(metheno)pyrrolo[2',1':3,4][1,4,9]triazacyclotetradecino[9,8-a]indole-7-carboxamide, Heat shock protein HSP 90-alpha | | Authors: | Zapf, C.W, Bloom, J.D, McBean, J.L, Dushin, R.G, Golas, J.M, Liu, H, Lucas, J, Boschelli, F, Vogan, E.M, Levin, J.I. | | Deposit date: | 2011-03-24 | | Release date: | 2011-06-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.5801 Å) | | Cite: | Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model.
Bioorg.Med.Chem.Lett., 21, 2011
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4E0F
 | | Crystallographic structure of trimeric Riboflavin Synthase from Brucella abortus in complex with riboflavin | | Descriptor: | RIBOFLAVIN, Riboflavin synthase subunit alpha | | Authors: | Serer, M.I, Bonomi, H.R, Guimaraes, B.G, Rossi, R.C, Goldbaum, F.A, Klinke, S. | | Deposit date: | 2012-03-03 | | Release date: | 2013-10-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Crystallographic and kinetic study of riboflavin synthase from Brucella abortus, a chemotherapeutic target with an enhanced intrinsic flexibility.
Acta Crystallogr.,Sect.D, 70, 2014
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2YN0
 | | tau55 histidine phosphatase domain | | Descriptor: | PHOSPHATE ION, TRANSCRIPTION FACTOR TAU 55 KDA SUBUNIT | | Authors: | Taylor, N.M.I, Glatt, S, Hennrich, M, von Scheven, G, Grotsch, H, Fernandez-Tornero, C, Rybin, V, Gavin, A.C, Kolb, P, Muller, C.W. | | Deposit date: | 2012-10-11 | | Release date: | 2013-04-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and Functional Characterization of a Phosphatase Domain within Yeast General Transcription Factor Iiic.
J.Biol.Chem., 288, 2013
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2YIB
 | | Structure of the RNA polymerase VP1 from Infectious Pancreatic Necrosis Virus | | Descriptor: | RNA-DIRECTED RNA POLYMERASE | | Authors: | Graham, S.C, Sarin, L.P, Bahar, M.W, Myers, R.A, Stuart, D.I, Bamford, D.H, Grimes, J.M. | | Deposit date: | 2011-05-11 | | Release date: | 2011-07-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | The N-Terminus of the RNA Polymerase from Infectious Pancreatic Necrosis Virus is the Determinant of Genome Attachment.
Plos Pathog., 7, 2011
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4EC0
 | | Crystal structure of hH-PGDS with water displacing inhibitor | | Descriptor: | 4-[2-(aminomethyl)naphthalen-1-yl]-N-[2-(morpholin-4-yl)ethyl]benzamide, GLUTATHIONE, Hematopoietic prostaglandin D synthase, ... | | Authors: | Day, J.E, Thorarensen, A, Trujillo, J.I. | | Deposit date: | 2012-03-26 | | Release date: | 2012-05-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Investigation of the binding pocket of human hematopoietic prostaglandin (PG) D2 synthase (hH-PGDS): a tale of two waters.
Bioorg.Med.Chem.Lett., 22, 2012
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4E5Z
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4M8I
 | | 1.43 Angstrom resolution crystal structure of cell division protein FtsZ (ftsZ) from Staphylococcus epidermidis RP62A in complex with GDP | | Descriptor: | Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION | | Authors: | Halavaty, A.S, Minasov, G, Winsor, J, Dubrovska, I, Filippova, E.V, Olsen, D.B, Therien, A, Shuvalova, L, Young, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-08-13 | | Release date: | 2013-09-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | 1.43 Angstrom resolution crystal structure of cell division protein FtsZ (ftsZ) from Staphylococcus epidermidis RP62A in complex with GDP
To be Published
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2YRR
 | | hypothetical alanine aminotransferase (TTH0173) from Thermus thermophilus HB8 | | Descriptor: | Aminotransferase, class V, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Miyahara, I, Matsumura, M, Goto, M, Omi, R, Hirotsu, K, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-04-02 | | Release date: | 2008-04-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | hypothetical alanine aminotransferase (TTH0173) from Thermus thermophilus HB8
To be Published
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4M6J
 | | Crystal structure of human dihydrofolate reductase (DHFR) bound to NADPH | | Descriptor: | Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Bhabha, G, Ekiert, D.C, Wright, P.E, Wilson, I.A. | | Deposit date: | 2013-08-09 | | Release date: | 2013-09-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.201 Å) | | Cite: | Divergent evolution of protein conformational dynamics in dihydrofolate reductase.
Nat.Struct.Mol.Biol., 20, 2013
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2Y6F
 | | Isopenicillin N synthase with AC-D-S-methyl-3R-methylcysteine | | Descriptor: | (2S)-2-AMINO-6-[[(2R)-1-[[(2S)-1-HYDROXY-3-METHYLSULFANYL-1-OXO-BUTAN-2-YL]AMINO]-1-OXO-3-SULFANYL-PROPAN-2-YL]AMINO]-6-OXO-HEXANOIC ACID, FE (III) ION, ISOPENICILLIN N SYNTHASE, ... | | Authors: | Rutledge, P.J, Clifton, I.J, Ge, W. | | Deposit date: | 2011-01-21 | | Release date: | 2011-08-31 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Isopenicillin N Synthase Binds Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D-Thia-Allo-Isoleucine Through Both Sulfur Atoms.
Chembiochem, 12, 2011
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4EMA
 | | Human peroxisome proliferator-activated receptor gamma in complex with rosiglitazone | | Descriptor: | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), Peroxisome proliferator-activated receptor gamma | | Authors: | Liberato, M.V, Nascimento, A.S, Polikarpov, I. | | Deposit date: | 2012-04-11 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.545 Å) | | Cite: | Medium chain fatty acids are selective peroxisome proliferator activated receptor (PPAR) Gamma activators and pan-PPAR partial agonists
Plos One, 7, 2012
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4EDA
 | | Structures of monomeric hemagglutinin and its complex with an Fab fragment of a neutralizing antibody that binds to H1 subtype influenza viruses: molecular basis of infectivity of 2009 pandemic H1N1 influenza A viruses | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin | | Authors: | Kim, K.H, Cho, K.J, Lee, J.H, Park, Y.H, Khan, T.G, Lee, J.Y, Kang, S.H, Alam, I. | | Deposit date: | 2012-03-27 | | Release date: | 2013-05-22 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Insight into structural diversity of influenza virus haemagglutinin
J.Gen.Virol., 94, 2013
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2YGB
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4M61
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4M6K
 | | Crystal structure of human dihydrofolate reductase (DHFR) bound to NADP+ and folate | | Descriptor: | Dihydrofolate reductase, FOLIC ACID, GLYCEROL, ... | | Authors: | Bhabha, G, Ekiert, D.C, Wright, P.E, Wilson, I.A. | | Deposit date: | 2013-08-09 | | Release date: | 2013-09-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.396 Å) | | Cite: | Divergent evolution of protein conformational dynamics in dihydrofolate reductase.
Nat.Struct.Mol.Biol., 20, 2013
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4ME3
 | | 1.8 Angstrom Crystal Structure of the N-terminal Domain of an Archaeal MCM | | Descriptor: | DNA replication licensing factor MCM related protein, ZINC ION | | Authors: | Fu, Y, Slaymaker, I.M, Wang, G, Chen, X.S. | | Deposit date: | 2013-08-24 | | Release date: | 2014-01-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.794 Å) | | Cite: | The 1.8- angstrom Crystal Structure of the N-Terminal Domain of an Archaeal MCM as a Right-Handed Filament.
J.Mol.Biol., 426, 2014
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4ETC
 | | Lysozyme, room temperature, 24 kGy dose | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | | Deposit date: | 2012-04-24 | | Release date: | 2012-06-13 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.906 Å) | | Cite: | High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
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4ETL
 | | Crystallographic structure of phenylalanine hydroxylase from Chromobacterium violaceum F258A mutation | | Descriptor: | COBALT (II) ION, Phenylalanine-4-hydroxylase | | Authors: | Ronau, J.A, Paul, L.P, Corn, I.R, Wagner, K.T, Abu-Omar, M.M, Das, C. | | Deposit date: | 2012-04-24 | | Release date: | 2013-05-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | An additional substrate binding site in a bacterial phenylalanine hydroxylase.
Eur.Biophys.J., 42, 2013
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2YMN
 | | Organization of the Influenza Virus Replication Machinery | | Descriptor: | NUCLEOPROTEIN | | Authors: | Moeller, A, Kirchdoerfer, R.N, Potter, C.S, Carragher, B, Wilson, I.A. | | Deposit date: | 2012-10-09 | | Release date: | 2012-12-05 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (20 Å) | | Cite: | Organization of the Influenza Virus Replication Machinery.
Science, 338, 2012
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4LRX
 | | Crystal Structure of the E.coli DhaR(N)-DhaK complex | | Descriptor: | GLYCEROL, PTS-dependent dihydroxyacetone kinase operon regulatory protein, PTS-dependent dihydroxyacetone kinase, ... | | Authors: | Shi, R, McDonald, L, Cygler, M, Ekiel, I. | | Deposit date: | 2013-07-21 | | Release date: | 2014-01-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Coiled-Coil Helix Rotation Selects Repressing or Activating State of Transcriptional Regulator DhaR.
Structure, 22, 2014
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4LUN
 | | Structure of the N-terminal mIF4G domain from S. cerevisiae Upf2, a protein involved in the degradation of mRNAs containing premature stop codons | | Descriptor: | CHLORIDE ION, Nonsense-mediated mRNA decay protein 2 | | Authors: | Fourati, Z, Roy, B, Millan, C, Courreux, P.D, Kervestin, S, van Tilbeurgh, H, He, F, Uson, I, Jacobson, A, Graille, M. | | Deposit date: | 2013-07-25 | | Release date: | 2014-07-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.641 Å) | | Cite: | A highly conserved region essential for NMD in the Upf2 N-terminal domain.
J.Mol.Biol., 426, 2014
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2YRI
 | | Crystal structure of alanine-pyruvate aminotransferase with 2-methylserine | | Descriptor: | (S,E)-3-HYDROXY-2-((3-HYDROXY-2-METHYL-5-(PHOSPHONOOXYMETHYL)PYRIDIN-4-YL)METHYLENEAMINO)-2-METHYLPROPANOIC ACID, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aminotransferase, ... | | Authors: | Miyahara, I, Matsumura, M, Goto, M, Omi, R, Hirotsu, K, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-04-02 | | Release date: | 2008-04-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | hypothetical alanine aminotransferase (TTHA0173) from Thermus thermophilus HB8
To be Published
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4LYB
 | | CdS within a lysoyzme single crystal | | Descriptor: | CADMIUM ION, Lysozyme C | | Authors: | Wei, H, House, S, Wu, J, Zhang, J, Wang, Z, He, Y, Gao, Y.-G, Robinson, H, Li, W, Zuo, J.-M, Robertson, I.M, Lu, Y. | | Deposit date: | 2013-07-30 | | Release date: | 2015-02-25 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Enhanced and tunable fluorescent quantum dots within a single crystal of protein
TO BE PUBLISHED
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