6RFI
 
 | | IRAK4 IN COMPLEX WITH inhibitor | | Descriptor: | Interleukin-1 receptor-associated kinase 4, SULFATE ION, methyl 4-[4-[(6-cyanoquinazolin-4-yl)amino]cyclohexyl]piperazine-1-carboxylate | | Authors: | Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D. | | Deposit date: | 2019-04-15 | | Release date: | 2019-10-30 | | Last modified: | 2019-11-27 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Discovery of a Series of 5-Azaquinazolines as Orally Efficacious IRAK4 Inhibitors Targeting MyD88L265PMutant Diffuse Large B Cell Lymphoma.
J.Med.Chem., 62, 2019
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6S34
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1WQ1
 | | RAS-RASGAP COMPLEX | | Descriptor: | ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, H-RAS, ... | | Authors: | Scheffzek, K, Ahmadian, M.R, Kabsch, W, Wiesmueller, L, Lautwein, A, Schmitz, F, Wittinghofer, A. | | Deposit date: | 1997-07-03 | | Release date: | 1998-07-15 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Ras-RasGAP complex: structural basis for GTPase activation and its loss in oncogenic Ras mutants.
Science, 277, 1997
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1WU1
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1XKA
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1XKB
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2OAW
 | | Structure of SHH variant of "Bergerac" chimera of spectrin SH3 | | Descriptor: | CHLORIDE ION, Spectrin alpha chain, brain | | Authors: | Gabdoulkhakov, A.G, Gushchina, L.V, Nikulin, A.D, Nikonov, S.V, Viguera, A.R, Serrano, L, Filimonov, V.V. | | Deposit date: | 2006-12-18 | | Release date: | 2008-04-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and thermodynamic studies of Bergerac-SH3 chimeras.
Biophys.Chem., 139, 2009
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2OHX
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1ZVX
 | | Crystal structure of the complex between MMP-8 and a phosphonate inhibitor (R-enantiomer) | | Descriptor: | (1R)-1-{[(4'-METHOXY-1,1'-BIPHENYL-4-YL)SULFONYL]AMINO}-2-METHYLPROPYLPHOSPHONIC ACID, CALCIUM ION, Neutrophil collagenase, ... | | Authors: | Pochetti, G, Gavuzzo, E, Campestre, C, Agamennone, M, Tortorella, P, Consalvi, V, Gallina, C, Hiller, O, Tschesche, H, Tucker, P.A, Mazza, F. | | Deposit date: | 2005-06-03 | | Release date: | 2006-05-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural insight into the stereoselective inhibition of MMP-8 by enantiomeric sulfonamide phosphonates.
J.Med.Chem., 49, 2006
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2PMD
 | | The structures of aIF2gamma subunit from the archaeon Sulfolobus solfataricus in the GDP-bound form. | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, PYROPHOSPHATE, ... | | Authors: | Nikonov, O.S, Stolboushkina, E.A, Nikulin, A.D, Hasenohrl, D, Blaesi, U, Manstein, D.J, Fedorov, R.V, Garber, M.B, Nikonov, S.V. | | Deposit date: | 2007-04-21 | | Release date: | 2007-11-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | New Insights into the Interactions of the Translation Initiation Factor 2 from Archaea with Guanine Nucleotides and Initiator tRNA.
J.Mol.Biol., 373, 2007
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1YFG
 | | YEAST INITIATOR TRNA | | Descriptor: | YEAST INITIATOR TRNA | | Authors: | Basavappa, R, Sigler, P.B. | | Deposit date: | 1997-05-08 | | Release date: | 1997-09-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The 3 A crystal structure of yeast initiator tRNA: functional implications in initiator/elongator discrimination.
EMBO J., 10, 1991
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1ZS0
 | | Crystal structure of the complex between MMP-8 and a phosphonate inhibitor (S-enantiomer) | | Descriptor: | (1S)-1-{[(4'-METHOXY-1,1'-BIPHENYL-4-YL)SULFONYL]AMINO}-2-METHYLPROPYLPHOSPHONIC ACID, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Pochetti, G, Gavuzzo, E, Campestre, C, Agamennone, M, Tortorella, P, Consalvi, V, Gallina, C, Hiller, O, Tschesche, H, Tucker, P.A, Mazza, F. | | Deposit date: | 2005-05-23 | | Release date: | 2006-05-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structural insight into the stereoselective inhibition of MMP-8 by enantiomeric sulfonamide phosphonates.
J.Med.Chem., 49, 2006
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2PLF
 | | The structure of aIF2gamma subunit from the archaeon Sulfolobus solfataricus in the nucleotide-free form. | | Descriptor: | Translation initiation factor 2 gamma subunit | | Authors: | Nikonov, O.S, Stolboushkina, E.A, Nikulin, A.D, Hasenohrl, D, Blaesi, U, Manstein, D.J, Fedorov, R.V, Garber, M.B, Nikonov, S.V. | | Deposit date: | 2007-04-19 | | Release date: | 2007-11-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | New Insights into the Interactions of the Translation Initiation Factor 2 from Archaea with Guanine Nucleotides and Initiator tRNA.
J.Mol.Biol., 373, 2007
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2Q3M
 | | Ensemble refinement of the protein crystal structure of an Arabidopsis thaliana putative steroid sulphotransferase | | Descriptor: | Flavonol sulfotransferase-like, MALONIC ACID | | Authors: | Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2007-05-30 | | Release date: | 2007-06-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Ensemble refinement of protein crystal structures: validation and application.
Structure, 15, 2007
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1ZEO
 | | Crystal Structure of Human PPAR-gamma Ligand Binding Domain Complexed with an Alpha-Aryloxyphenylacetic Acid Agonist | | Descriptor: | (2S)-(4-ISOPROPYLPHENYL)[(2-METHYL-3-OXO-5,7-DIPROPYL-2,3-DIHYDRO-1,2-BENZISOXAZOL-6-YL)OXY]ACETATE, Peroxisome proliferator activated receptor gamma | | Authors: | Shi, G.Q, Dropinski, J.F, McKeever, B.M, Adams, A.D, MacNaul, K.L, Elbrecht, A, Berger, J.P, Zhou, G, Doebber, T.W. | | Deposit date: | 2005-04-19 | | Release date: | 2006-04-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Design and Synthesis of alpha-Aryloxyphenylacetic Acid Derivatives: A Novel Class of PPAR alpha/gamma Dual Agonists with Potent Antihyperglycemic and Lipid Modulating Activity
J.Med.Chem., 48, 2005
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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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3CW2
 | | Crystal structure of the intact archaeal translation initiation factor 2 from Sulfolobus solfataricus . | | Descriptor: | Translation initiation factor 2 subunit alpha, Translation initiation factor 2 subunit beta, Translation initiation factor 2 subunit gamma | | Authors: | Stolboushkina, E.A, Nikonov, S.V, Nikulin, A.D, Blaesi, U, Manstein, D.J, Fedorov, R.V, Garber, M.B, Nikonov, O.S. | | Deposit date: | 2008-04-21 | | Release date: | 2009-01-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the intact archaeal translation initiation factor 2 demonstrates very high conformational flexibility in the alpha- and beta-subunits.
J.Mol.Biol., 382, 2008
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7JNI
 | | Crystal structure of the angiotensin II type 2 receptoror (AT2R) in complex with EMA401 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, FORMIC ACID, HEXANE-1,6-DIOL, ... | | Authors: | Cherezov, V, Shaye, H, Han, G.W. | | Deposit date: | 2020-08-04 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Inhibition of the angiotensin II type 2 receptor AT 2 R is a novel therapeutic strategy for glioblastoma.
Proc.Natl.Acad.Sci.USA, 119, 2022
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4J6W
 | | Crystal structure of HFQ from Pseudomonas aeruginosa in complex with CTP | | Descriptor: | CHLORIDE ION, CYTIDINE-5'-DIPHOSPHATE, CYTIDINE-5'-MONOPHOSPHATE, ... | | Authors: | Nikulin, A.D, Murina, V, Lekontseva, N. | | Deposit date: | 2013-02-12 | | Release date: | 2013-07-31 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Hfq binds ribonucleotides in three different RNA-binding sites.
Acta Crystallogr.,Sect.D, 69, 2013
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4J6X
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6YTM
 | | Human Brd2(BD2) L383V mutant in complex with ET-JQ1-OMe | | Descriptor: | (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol, Bromodomain-containing protein 2, methyl (2R)-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]butanoate | | Authors: | Bond, A.G, Ciulli, A, Cowan, A.D. | | Deposit date: | 2020-04-24 | | Release date: | 2020-05-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Stereoselective synthesis of allele-specific BET inhibitors.
Org.Biomol.Chem., 18, 2020
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4J6Y
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4GRB
 | | Casein kinase 2 (CK2) bound to inhibitor | | Descriptor: | 5-(2-{[4-(dimethylcarbamoyl)phenyl]amino}-4-methoxypyrimidin-5-yl)thiophene-3-carboxylic acid, CHLORIDE ION, Casein kinase II subunit alpha | | Authors: | Larsen, N.A, Dowling, J.E, Ferguson, A.D. | | Deposit date: | 2012-08-24 | | Release date: | 2013-08-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure and Property Based Design of Pyrazolo[1,5-a]pyrimidine Inhibitors of CK2 Kinase with Activity in Vivo.
ACS Med Chem Lett, 4, 2013
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2BMC
 | | Aurora-2 T287D T288D complexed with PHA-680632 | | Descriptor: | (3E)-N-(2,6-DIETHYLPHENYL)-3-{[4-(4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4-C]PYRAZOLE-5(3H)-CARBOXAMIDE, SERINE THREONINE-PROTEIN KINASE 6 | | Authors: | Cameron, A.D, Izzo, G, Sagliano, A, Rusconi, L, Storici, P, Fancelli, D, Berta, D, Bindi, S, Catana, C, Forte, B, Giordano, P, Mantegani, S, Meroni, M, Moll, J, Pittala, V, Severino, D, Tonani, R, Varasi, M, Vulpetti, A, Vianello, P. | | Deposit date: | 2005-03-11 | | Release date: | 2005-03-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Potent and Selective Aurora Inhibitors Identified by the Expansion of a Novel Scaffold for Protein Kinase Inhibition.
J.Med.Chem., 48, 2005
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2WTB
 | | Arabidopsis thaliana multifuctional protein, MFP2 | | Descriptor: | FATTY ACID MULTIFUNCTIONAL PROTEIN (ATMFP2) | | Authors: | Arent, S, Pye, V.E, Christensen, C.E, Norgaard, A, Henriksen, A. | | Deposit date: | 2009-09-15 | | Release date: | 2010-05-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Multi-Functional Protein in Peroxisomal Beta-Oxidation. Structure and Substrate Specificity of the Arabidopsis Thaliana Protein, Mfp2
J.Biol.Chem., 285, 2010
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