237D
 
 | | CRYSTAL STRUCTURE OF A DNA DECAMER SHOWING A NOVEL PSEUDO FOUR-WAY HELIX-HELIX JUNCTION | | Descriptor: | DNA (5'-D(*CP*GP*CP*AP*AP*TP*TP*GP*CP*G)-3') | | Authors: | Spink, N, Nunn, C.M, Vojtechovsky, J, Berman, H.M, Neidle, S. | | Deposit date: | 1995-09-28 | | Release date: | 1996-03-22 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of a DNA decamer showing a novel pseudo four-way helix-helix junction.
Proc.Natl.Acad.Sci.USA, 92, 1995
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2KQU
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2JO1
 | | Structure of the Na,K-ATPase regulatory protein FXYD1 in micelles | | Descriptor: | Phospholemman | | Authors: | Teriete, P, Franzin, C.M, Choi, J, Marassi, F.M. | | Deposit date: | 2007-02-18 | | Release date: | 2007-07-31 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | Structure of the Na,K-ATPase regulatory protein FXYD1 in micelles
Biochemistry, 46, 2007
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1O3R
 | | PROTEIN-DNA RECOGNITION AND DNA DEFORMATION REVEALED IN CRYSTAL STRUCTURES OF CAP-DNA COMPLEXES | | Descriptor: | 5'-D(*AP*AP*AP*AP*AP*TP*GP*CP*GP*AP*T)-3', 5'-D(*CP*TP*AP*GP*AP*TP*CP*GP*CP*AP*TP*TP*TP*TP*T)-3', ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ... | | Authors: | Chen, S, Vojtechovsky, J, Parkinson, G.N, Ebright, R.H, Berman, H.M. | | Deposit date: | 2003-03-18 | | Release date: | 2003-04-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Indirect Readout of DNA Sequence at the Primary-kink Site in the CAP-DNA Complex: DNA Binding Specificity Based on Energetics of DNA Kinking
J.Mol.Biol., 314, 2001
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1O3Q
 | | PROTEIN-DNA RECOGNITION AND DNA DEFORMATION REVEALED IN CRYSTAL STRUCTURES OF CAP-DNA COMPLEXES | | Descriptor: | 5'-D(*AP*AP*AP*AP*AP*TP*GP*TP*GP*AP*T)-3', 5'-D(*CP*TP*AP*GP*AP*TP*CP*AP*CP*AP*TP*TP*TP*TP*T)-3', ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ... | | Authors: | Chen, S, Vojtechovsky, J, Parkinson, G.N, Ebright, R.H, Berman, H.M. | | Deposit date: | 2003-03-18 | | Release date: | 2003-04-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Indirect Readout of DNA Sequence at the Primary-kink Site in the CAP-DNA Complex: DNA Binding Specificity Based on Energetics of DNA Kinking
J.Mol.Biol., 314, 2001
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3TTI
 | | Crystal Structure of JNK3 complexed with CC-930, an orally active anti-fibrotic JNK inhibitor | | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 10, trans-4-({9-[(3S)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl}amino)cyclohexanol | | Authors: | Plantevin-Krenitsky, V, Nadolny, L, Delgado, M, Ayala, L, Clareen, S, Hilgraf, R, Albers, R, Hegde, S, D'Sidocky, N, Sapienza, J, Wright, J, McCarrick, M, Bahmanyar, S, Chamberlain, P, Delker, S.L, Muir, J, Giegel, D, Xu, L, Celeridad, M, Lachowitzer, J, Bennett, B, Moghaddam, M, Khatsenko, O, Katz, J, Fan, R, Bai, A, Tang, Y, Shirley, M.A, Benish, B, Bodine, T, Blease, K, Raymon, H, Cathers, B.E, Satoh, Y. | | Deposit date: | 2011-09-14 | | Release date: | 2012-02-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of CC-930, an orally active anti-fibrotic JNK inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
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1PN5
 | | NMR structure of the NALP1 Pyrin domain (PYD) | | Descriptor: | NACHT-, LRR- and PYD-containing protein 2 | | Authors: | Hiller, S, Kohl, A, Fiorito, F, Herrmann, T, Wider, G, Tschopp, J, Grutter, M.G, Wuthrich, K. | | Deposit date: | 2003-06-12 | | Release date: | 2003-10-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the apoptosis- and inflammation-related NALP1 pyrin domain
Structure, 11, 2003
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1R1X
 | | Crystal structure of oxy-human hemoglobin Bassett at 2.15 angstrom | | Descriptor: | CARBON MONOXIDE, Hemoglobin alpha chain, Hemoglobin beta chain, ... | | Authors: | Abdulmalik, O, Safo, M.K, Lerner, N.B, Ochotorena, J, Dhaikin, Y, Abraham, D.J, Asakura, T. | | Deposit date: | 2003-09-25 | | Release date: | 2003-10-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Characterization of hemoglobin bassett (alpha94Asp-->Ala), a variant with very low oxygen affinity
Am.J.Hematol., 77, 2004
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1RUN
 | | CATABOLITE GENE ACTIVATOR PROTEIN (CAP)/DNA COMPLEX + ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, DNA (5'-D(*CP*TP*AP*GP*AP*TP*CP*AP*CP*AP*TP*TP*TP*TP*TP*CP*G )-3'), DNA (5'-D(*GP*CP*GP*AP*AP*AP*AP*AP*TP*GP*TP*GP*AP*T)-3'), ... | | Authors: | Parkinson, G.N, Gunasekera, A, Vojtechovsky, J, Zhang, X, Kunkel, T.A, Berman, H.M, Ebright, R.H. | | Deposit date: | 1996-05-26 | | Release date: | 1997-01-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Aromatic hydrogen bond in sequence-specific protein DNA recognition.
Nat.Struct.Biol., 3, 1996
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1R1Y
 | | Crystal structure of deoxy-human hemoglobin Bassett at 1.8 angstrom | | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Abdulmalik, O, Safo, M.K, Lerner, N.B, Ochotorena, J, Dhaikin, Y, Abraham, D.J, Asakura, T. | | Deposit date: | 2003-09-25 | | Release date: | 2003-10-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Characterization of hemoglobin bassett (alpha94Asp-->Ala), a variant with very low oxygen affinity
Am.J.Hematol., 77, 2004
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1PNH
 | | SOLUTION STRUCTURE OF PO5-NH2, A SCORPION TOXIN ANALOG WITH HIGH AFFINITY FOR THE APAMIN-SENSITIVE POTASSIUM CHANNEL | | Descriptor: | SCORPION TOXIN | | Authors: | Meunier, S, Bernassau, J.-M, Sabatier, J.-M, Martin-Eauclaire, M.-F, Van Rietschoten, J, Cambillau, C, Darbon, H. | | Deposit date: | 1993-08-25 | | Release date: | 1994-01-31 | | Last modified: | 2024-10-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure of P05-NH2, a scorpion toxin analog with high affinity for the apamin-sensitive potassium channel.
Biochemistry, 32, 1993
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1Q01
 | | Lebetin peptides, a new class of potent aggregation inhibitors | | Descriptor: | lebetin 2 isoform alpha | | Authors: | Mosbah, A, Marrakchi, N, Ganzalez, M.J, Van Rietschoten, J, Giralt, E, El Ayeb, M, Rochat, H, Sabatier, J.M, Darbon, H, Mabrouk, K. | | Deposit date: | 2003-07-15 | | Release date: | 2005-05-03 | | Last modified: | 2024-10-30 | | Method: | SOLUTION NMR | | Cite: | Lebetin peptides, a new class of potent aggregation inhibitors
To be Published
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1QC9
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1O3T
 | | PROTEIN-DNA RECOGNITION AND DNA DEFORMATION REVEALED IN CRYSTAL STRUCTURES OF CAP-DNA COMPLEXES | | Descriptor: | 5'-D(*CP*TP*AP*GP*AP*TP*CP*GP*CP*AP*TP*TP*TP*TP*TP*CP*G)-3', 5'-D(*GP*CP*GP*AP*AP*AP*AP*AP*TP*GP*CP*GP*AP*T)-3', ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ... | | Authors: | Chen, S, Vojtechovsky, J, Parkinson, G.N, Ebright, R.H, Berman, H.M. | | Deposit date: | 2003-03-18 | | Release date: | 2003-04-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Indirect Readout of DNA Sequence at the Primary-kink Site in the CAP-DNA Complex:
DNA Binding Specificity Based on Energetics of DNA Kinking
J.Mol.Biol., 314, 2001
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1QPS
 | | THE CRYSTAL STRUCTURE OF A POST-REACTIVE COGNATE DNA-ECO RI COMPLEX AT 2.50 A IN THE PRESENCE OF MN2+ ION | | Descriptor: | 5'-D(*AP*AP*TP*TP*CP*GP*CP*GP*)-3', 5'-D(*TP*CP*GP*CP*GP*)-3', ENDONUCLEASE ECORI, ... | | Authors: | Horvath, M, Choi, J, Kim, Y, Wilkosz, P, Rosenberg, J.M. | | Deposit date: | 1999-05-28 | | Release date: | 1999-06-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Integration of Recognition and Cleavage: X-Ray Structures of Pre- Transition State and Post-Reactive DNA-Eco RI Endonuclease Complexes
To be Published
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3QDL
 | | Crystal structure of RdxA from Helicobacter pyroli | | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, Oxygen-insensitive NADPH nitroreductase | | Authors: | Rojas, A.L, Martinez-Julvez, M, Olekhnovich, I.N, Hoffman, P.S, Sancho, J. | | Deposit date: | 2011-01-18 | | Release date: | 2012-01-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of RdxA--an oxygen-insensitive nitroreductase essential for metronidazole activation in Helicobacter pylori.
Febs J., 279, 2012
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8TVA
 | | Outer Mat-T4P complex | | Descriptor: | Fimbrial protein, Maturation protein | | Authors: | Meng, R, Xing, Z, Thongchol, J, Zhang, J. | | Deposit date: | 2023-08-17 | | Release date: | 2024-03-06 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (8.55 Å) | | Cite: | Structural basis of Acinetobacter type IV pili targeting by an RNA virus.
Nat Commun, 15, 2024
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8TV9
 | | Inner Mat-T4P complex | | Descriptor: | Fimbrial protein, Maturation protein | | Authors: | Meng, R, Xing, Z, Thongchol, J, Zhang, J. | | Deposit date: | 2023-08-17 | | Release date: | 2024-03-06 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (8.15 Å) | | Cite: | Structural basis of Acinetobacter type IV pili targeting by an RNA virus.
Nat Commun, 15, 2024
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2W5U
 | | Flavodoxin from Helicobacter pylori in complex with the C3 inhibitor | | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavodoxin, [2-(5-amino-4-cyano-1H-pyrazol-1-yl)-5-(trifluoromethyl)phenyl](hydroxy)oxoammonium | | Authors: | Cremades, N, Perez-Dorado, I, Hermoso, J.A, Martinez-Julvez, M, Sancho, J. | | Deposit date: | 2008-12-12 | | Release date: | 2009-12-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Discovery of Specific Flavodoxin Inhibitors as Potential Therapeutic Agents Against Helicobacter Pylori Infection.
Acs Chem.Biol., 4, 2009
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2WI1
 | | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | | Descriptor: | 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION | | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | | Deposit date: | 2009-05-08 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
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2WI2
 | | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | | Descriptor: | 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE, DIMETHYL SULFOXIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | | Deposit date: | 2009-05-08 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
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2WI5
 | | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | | Descriptor: | 3,6-DIAMINO-5-CYANO-4-(4-ETHOXYPHENYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | | Deposit date: | 2009-05-08 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
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2WI3
 | | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | | Descriptor: | 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE, HEAT SHOCK PROTEIN, HSP 90-ALPHA, ... | | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | | Deposit date: | 2009-05-08 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
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2WI4
 | | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | | Descriptor: | 4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine, HEAT SHOCK PROTEIN, HSP 90-ALPHA | | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | | Deposit date: | 2009-05-08 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
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2WI7
 | | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | | Descriptor: | 2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | | Deposit date: | 2009-05-08 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
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