5GQD
 
 | Crystal structure of covalent glycosyl-enzyme intermediate of xylanase mutant (T82A, N127S, and E128H) from Streptomyces olivaceoviridis E-86 | Descriptor: | Beta-xylanase, GLYCEROL, beta-D-xylopyranose-(1-4)-alpha-D-xylopyranose | Authors: | Suzuki, R, Fujimoto, Z, Kaneko, S, Kuno, A. | Deposit date: | 2016-08-07 | Release date: | 2017-08-09 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Azidolysis by the Formation of Stable Ser-His Catalytic Dyad in a Glycoside Hydrolase Family 10 Xylanase Mutant J.Appl.Glyosci., 65, 2019
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5DWI
 
 | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Resorcinyl 2-Chloro-substituted Diaryl-imine analog 4-[(E)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol | Descriptor: | 4-[(E)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Wright, N.J, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-22 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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5DXP
 
 | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol | Descriptor: | 4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-23 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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5DWJ
 
 | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Resorcinyl 4-Fluoro-substituted Diaryl-imine analog 4-[(E)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol | Descriptor: | 4-[(E)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Wright, N.J, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-22 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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5BQG
 
 | Crystal Structure of mPGES-1 Bound to an Inhibitor | Descriptor: | 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ... | Authors: | Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G. | Deposit date: | 2015-05-29 | Release date: | 2016-04-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.436 Å) | Cite: | Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors. J.Med.Chem., 59, 2016
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3Q4L
 
 | Structure of a small peptide ligand bound to E.coli DNA sliding clamp | Descriptor: | DNA polymerase III subunit beta, SODIUM ION, peptide ligand | Authors: | Wolff, P, Olieric, V, Briand, J.P, Chaloin, O, Dejaegere, A, Dumas, P, Ennifar, E, Guichard, G, Wagner, J, Burnouf, D. | Deposit date: | 2010-12-23 | Release date: | 2011-12-28 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-based design of short peptide ligands binding onto the E. coli processivity ring. J.Med.Chem., 54, 2011
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3Q4J
 
 | Structure of a small peptide ligand bound to E.coli DNA sliding clamp | Descriptor: | DNA polymerase III subunit beta, peptide ligand | Authors: | Wolff, P, Olieric, V, Briand, J.P, Chaloin, O, Dejaegere, A, Dumas, P, Ennifar, E, Guichard, G, Wagner, J, Burnouf, D. | Deposit date: | 2010-12-23 | Release date: | 2011-12-28 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-based design of short peptide ligands binding onto the E. coli processivity ring. J.Med.Chem., 54, 2011
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9IY2
 
 | Immune complex of HEV-E2s, nAb 8C11 and nAb 8H3 | Descriptor: | Heavy Chain of mAb 8C11, Heavy Chain of mAb 8H3, Light Chain of mAb 8C11, ... | Authors: | Minghua, Z, Lizhi, Z, Ying, G, Shaowei, L. | Deposit date: | 2024-07-29 | Release date: | 2024-08-28 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (3.476 Å) | Cite: | Structural basis for the synergetic neutralization of hepatitis E virus by antibody-antibody interaction To Be Published
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5FMG
 
 | Structure and function based design of Plasmodium-selective proteasome inhibitors | Descriptor: | (2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide, BETA3 PROTEASOME SUBUNIT, PUTATIVE, ... | Authors: | Li, H, O'Donoghue, A.J, van der Linden, W.A, Xie, S.C, Yoo, E, Foe, I.T, Tilley, L, Craik, C.S, da Fonseca, P.C.A, Bogyo, M. | Deposit date: | 2015-11-04 | Release date: | 2016-03-02 | Last modified: | 2024-11-13 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure and Function Based Design of Plasmodium-Selective Proteasome Inhibitors Nature, 530, 2016
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1O6T
 
 | Internalin (INLA, Listeria monocytogenes) - functional domain, uncomplexed | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Schubert, W.-D, Urbanke, C, Ziehm, T, Beier, V, Machner, M.P, Domann, E, Wehland, J, Chakraborty, T, Heinz, D.W. | Deposit date: | 2002-10-15 | Release date: | 2002-12-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of Internalin, a Major Invasion Protein of Listeria Monocytogenes, in Complex with its Human Receptor E-Cadherin Cell(Cambridge,Mass.), 111, 2002
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5BQH
 
 | Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain | Descriptor: | (2-hydroxyethoxy)acetaldehyde, GLUTATHIONE, N-[4-(4-chlorophenyl)-1H-imidazol-2-yl]-2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}benzamide, ... | Authors: | Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G. | Deposit date: | 2015-05-29 | Release date: | 2016-04-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors. J.Med.Chem., 59, 2016
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7JQW
 
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2F7X
 
 | Protein Kinase A bound to (S)-2-(1H-Indol-3-yl)-1-[5-((E)-2-pyridin-4-yl-vinyl)-pyridin-3-yloxymethyl]-ethylamine | Descriptor: | (1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE, PKI, inhibitory peptide, ... | Authors: | Li, Q, Li, T, Zhu, G.D, Gong, J, Claibone, A, Dalton, C, Luo, Y, Johnson, E.F, Shi, Y, Liu, X, Klinghofer, V, Bauch, J.L, Marsh, K.C, Bouska, J.J, Arries, S, De Jong, R, Oltersdorf, T, Stoll, V.S, Jakob, C.G, Rosenberg, S.H, Giranda, V.L. | Deposit date: | 2005-12-01 | Release date: | 2006-06-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of trans-3,4'-bispyridinylethylenes as potent and novel inhibitors of protein kinase B (PKB/Akt) for the treatment of cancer: Synthesis and biological evaluation. Bioorg.Med.Chem.Lett., 16, 2006
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5XMM
 
 | FLA-E*01801-167W/S | Descriptor: | Beta-2-microglobulin, Gag polyprotein, MHC class I antigen alpha chain | Authors: | Liang, R, Sun, Y, Wang, J, Wu, Y, Zhang, N, Xia, C. | Deposit date: | 2017-05-15 | Release date: | 2017-12-13 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Major Histocompatibility Complex Class I (FLA-E*01801) Molecular Structure in Domestic Cats Demonstrates Species-Specific Characteristics in Presenting Viral Antigen Peptides J. Virol., 92, 2018
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5BQI
 
 | Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain | Descriptor: | (2-hydroxyethoxy)acetaldehyde, 2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}-N-{5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}pyridine-3-carboxamide, GLUTATHIONE, ... | Authors: | Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G. | Deposit date: | 2015-05-29 | Release date: | 2016-04-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors. J.Med.Chem., 59, 2016
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1JR0
 
 | CHOLERA TOXIN B-PENTAMER WITH LIGAND BMSC-0011 | Descriptor: | (3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE, cholera toxin B subunit | Authors: | Merritt, E.A, Hol, W.G.J. | Deposit date: | 2001-08-09 | Release date: | 2002-05-08 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Anchor-based design of improved cholera toxin and E. coli heat-labile enterotoxin receptor binding antagonists that display multiple binding modes. Chem.Biol., 9, 2002
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3Q4K
 
 | Structure of a small peptide ligand bound to E.coli DNA sliding clamp | Descriptor: | DNA polymerase III subunit beta, peptide ligand | Authors: | Wolff, P, Olieric, V, Briand, J.P, Chaloin, O, Dejaegere, A, Dumas, P, Ennifar, E, Guichard, G, Wagner, J, Burnouf, D. | Deposit date: | 2010-12-23 | Release date: | 2011-12-28 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-based design of short peptide ligands binding onto the E. coli processivity ring. J.Med.Chem., 54, 2011
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3QIU
 
 | Crystal structure of the 226 TCR in complex with MCC/I-Ek | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, H-2 CLASS II HISTOCOMPATIBILITY ANTIGEN, E-K alpha chain, ... | Authors: | Kruse, A.C, Ely, L.K, Newell, E.W, Davis, M.M, Garcia, K.C. | Deposit date: | 2011-01-27 | Release date: | 2011-04-27 | Last modified: | 2024-11-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of specificity and cross-reactivity in T cell receptors specific for cytochrome c-I-E(k). J.Immunol., 186, 2011
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1KTL
 
 | The human non-classical major histocompatibility complex molecule HLA-E | Descriptor: | BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ALPHA CHAIN, ... | Authors: | Holmes, M.A, Strong, R.K. | Deposit date: | 2002-01-16 | Release date: | 2003-02-25 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | HLA-E allelic variants: Correlating differential expression, peptide affinities, crystal structures and thermal stabilities J.Biol.Chem., 278, 2003
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2HNH
 
 | Crystal structure of the catalytic alpha subunit of E. coli replicative DNA polymerase III | Descriptor: | DNA polymerase III alpha subunit, PHOSPHATE ION | Authors: | Meindert, M.H, Georgescu, R.E, Lee, S, O'Donnell, M, Kuriyan, J. | Deposit date: | 2006-07-12 | Release date: | 2006-09-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of the Catalytic alpha Subunit of E. coli Replicative DNA Polymerase III. Cell(Cambridge,Mass.), 126, 2006
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2HQA
 
 | Crystal structure of the catalytic alpha subunit of E. Coli replicative DNA polymerase III | Descriptor: | DNA polymerase III alpha subunit, PHOSPHATE ION | Authors: | Lamers, M.H, Georgescu, R.E, Lee, S.G, O'Donnell, M, Kuriyan, J. | Deposit date: | 2006-07-18 | Release date: | 2006-09-19 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of the Catalytic alpha Subunit of E. coli Replicative DNA Polymerase III. Cell(Cambridge,Mass.), 126, 2006
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3GLZ
 
 | Human Transthyretin (TTR) complexed with(E)-3-(2-(trifluoromethyl)benzylideneaminooxy)propanoic acid (inhibitor 11) | Descriptor: | 3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid, Transthyretin | Authors: | Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C. | Deposit date: | 2009-03-12 | Release date: | 2009-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis Plos One, 4, 2009
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3ZDB
 
 | Structure of E. coli ExoIX in complex with the palindromic 5ov4 DNA oligonucleotide, di-magnesium and potassium | Descriptor: | 5OV4 DNA, 5'-D(*AP*AP*AP*AP*GP*CP*GP*TP*AP*CP*GP*CP)-3', ACETATE ION, ... | Authors: | Hemsworth, G.R, Anstey-Gilbert, C.S, Flemming, C.S, Hodskinson, M.R.G, Zhang, J, Sedelnikova, S.E, Stillman, T.J, Sayers, J.R, Artymiuk, P.J. | Deposit date: | 2012-11-26 | Release date: | 2013-07-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | The Structure of E. Coli Exoix - Implications for DNA Binding and Catalysis in Flap Endonucleases Nucleic Acids Res., 41, 2013
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5NG1
 
 | TUBULIN-MTC-zampanolide complex | Descriptor: | (2Z,4E)-N-[(S)-[(1S,2E,5S,8E,10Z,17S)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]hexa-2,4-dienamide, (2~{Z},4~{E})-~{N}-[(~{S})-oxidanyl-[(1~{S},2~{E},5~{S},11~{R},17~{S},19~{R})-3,11,19-trimethyl-7,13-bis(oxidanylidene)-6,21-dioxabicyclo[15.3.1]henicos-2-en-5-yl]methyl]hexa-2,4-dienamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Field, J.J, Pera, B, Estevez Gallego, J, Calvo, E, Rodriguez-Salarichs, J, Saez-Calvo, G, Zuwerra, D, Jordi, M, Prota, A.E, Menchon, G, Miller, J.H, Altmann, K.-H, Diaz, J.F. | Deposit date: | 2017-03-16 | Release date: | 2017-10-25 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Zampanolide Binding to Tubulin Indicates Cross-Talk of Taxane Site with Colchicine and Nucleotide Sites. J. Nat. Prod., 81, 2018
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6HWV
 
 | Crystal structure of p38alpha in complex with a photoswitchable 2-Azoimidazol-based Inhibitor (compound 3) | Descriptor: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[5-(4-fluorophenyl)-2-[(~{E})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Mueller, M.P, Rauh, D. | Deposit date: | 2018-10-15 | Release date: | 2019-04-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach. Photochem. Photobiol. Sci., 18, 2019
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