5M00
 
 | | Crystal structure of murine P14 TCR complex with H-2Db and Y4A, modified gp33 peptide from LCMV | | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | | Authors: | Achour, A, Sandalova, T, Sun, R, Han, X. | | Deposit date: | 2016-10-03 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Thernary complexes of TCR P14 give insights into the mechanisms behind reestablishment of CTL responses against a viral escape mutant
To Be Published
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5M01
 | | Crystal structure of murine P14 TCR/ H-2Db complex with PA, modified gp33 peptide from LCMV | | Descriptor: | Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ... | | Authors: | Achour, A, Sandalova, T, Sun, R, Han, X. | | Deposit date: | 2016-10-03 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Thernary complexes of TCR P14 give insights into the mechanisms behind reestablishment of CTL responses against a viral escape mutant
To Be Published
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5M02
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5O9R
 | | Crystal structure of ScGas2 in complex with compound 9 | | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(thiophen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2, ... | | Authors: | Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | | Deposit date: | 2017-06-20 | | Release date: | 2018-05-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
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4QF1
 | | Crystal structure of unliganded CH59UA, the inferred unmutated ancestor of the RV144 anti-HIV antibody lineage producing CH59 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CH59UA Fab fragment of heavy chain, CHLORIDE ION, ... | | Authors: | Wiehe, K, Easterhoff, D, Luo, K, Nicely, N.I, Bradley, T, Jaeger, F.H, Dennison, S.M, Zhang, R, Lloyd, K.E, Stolarchuk, C, Parks, R, Sutherland, L.L, Scearce, R.M, Morris, L, Kaewkungwal, J, Nitayaphan, S, Pitisuttithum, P, Rerks-Ngarm, S, Michael, N, Kim, J, Kelsoe, G, Montefiori, D.C, Tomaras, G, Bonsignori, M, Santra, S, Kepler, T.B, Alam, S.M, Moody, M.A, Liao, H.-X, Haynes, B.F. | | Deposit date: | 2014-05-19 | | Release date: | 2015-02-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Antibody Light-Chain-Restricted Recognition of the Site of Immune Pressure in the RV144 HIV-1 Vaccine Trial Is Phylogenetically Conserved.
Immunity, 41, 2014
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5O9P
 | | Crystal structure of Gas2 in complex with compound 10 | | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(pyridin-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2 | | Authors: | Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | | Deposit date: | 2017-06-19 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
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5LGS
 | | Crystal structure of mouse CARM1 in complex with ligand P2C3u | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol, 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, ... | | Authors: | Marechal, N, Troffer-Charlier, N, Cura, V, Bonnefond, L, Cavarelli, J. | | Deposit date: | 2016-07-08 | | Release date: | 2017-03-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Transition state mimics are valuable mechanistic probes for structural studies with the arginine methyltransferase CARM1.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1U27
 | | Triglycine variant of the ARNO Pleckstrin Homology Domain in complex with Ins(1,3,4,5)P4 | | Descriptor: | Cytohesin 2, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE | | Authors: | Cronin, T.C, DiNitto, J.P, Czech, M.P, Lambright, D.G. | | Deposit date: | 2004-07-16 | | Release date: | 2005-02-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural determinants of phosphoinositide selectivity in splice variants of Grp1 family PH domains
Embo J., 23, 2004
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4BNW
 | | Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with an unknown ligand at 1. 6A resolution | | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ... | | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | | Deposit date: | 2013-05-17 | | Release date: | 2013-09-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
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1OBN
 | | ISOPENICILLIN N SYNTHASE aminoadipoyl-cysteinyl-aminobutyrate-FE-NO COMPLEX | | Descriptor: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-VINYLGLYCINE, FE (II) ION, HYDROXYAMINE, ... | | Authors: | Long, A.J, Clifton, I.J, Roach, P.L, Baldwin, J.E, Schofield, C.J, Rutledge, P.J. | | Deposit date: | 2003-01-31 | | Release date: | 2004-02-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural Studies on the Reaction of Isopenicillin N Synthase with the Substrate Analogue Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D-Alpha-Aminobutyrate.
Biochem.J., 372, 2003
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5NR9
 | | A Native Ternary Complex of Alpha-1,3-Galactosyltransferase (alpha-3GalT) Supports a Conserved Reaction Mechanism for Retaining Glycosyltransferases - Unliganded alpha-3GalT | | Descriptor: | GLYCEROL, N-acetyllactosaminide alpha-1,3-galactosyltransferase | | Authors: | Albesa-Jove, D, Marina, A, Sainz-Polo, M.A, Guerin, M.E. | | Deposit date: | 2017-04-22 | | Release date: | 2017-10-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Snapshots of alpha-1,3-Galactosyltransferase with Native Substrates: Insight into the Catalytic Mechanism of Retaining Glycosyltransferases.
Angew. Chem. Int. Ed. Engl., 56, 2017
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6RT2
 | | Crystal structure of Trypanosoma Brucei PEX14 N-terminal domain in complex with small molecules designed to investigate the water envelope | | Descriptor: | (3~{S})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid, BETA-MERCAPTOETHANOL, Peroxin 14, ... | | Authors: | Napolitano, V, Ratkova, E.L, Dawidowski, M, Dubin, G, Fino, R, Popowicz, G, Sattler, M, Tetko, I.V. | | Deposit date: | 2019-05-22 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Water envelope has a critical impact on the design of protein-protein interaction inhibitors.
Chem.Commun.(Camb.), 56, 2020
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1UAQ
 | | The crystal structure of yeast cytosine deaminase | | Descriptor: | DIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE, ZINC ION, cytosine deaminase | | Authors: | Ko, T.-P, Lin, J.-J, Hu, C.-Y, Hsu, Y.-H, Wang, A.H.-J, Liaw, S.-H. | | Deposit date: | 2003-03-14 | | Release date: | 2003-04-29 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of yeast cytosine deaminase. Insights into enzyme mechanism and evolution
J.Biol.Chem., 278, 2003
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3AAC
 | | Small heat shock protein hsp14.0 with the mutations of I120F and I122F in the form II crystal | | Descriptor: | Putative uncharacterized protein ST1653 | | Authors: | Takeda, K, Hayashi, T, Abe, T, Hirano, Y, Hanazono, Y, Yohda, M, Miki, K. | | Deposit date: | 2009-11-13 | | Release date: | 2010-11-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Dimer structure and conformational variability in the N-terminal region of an archaeal small heat shock protein, StHsp14.0
J.Struct.Biol., 174, 2011
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2VRY
 | | Mouse Neuroglobin with heme iron in the reduced ferrous state | | Descriptor: | NEUROGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Arcovito, A, Moschetti, T, D'Angelo, P, Mancini, G, Vallone, B, Brunori, M, Della Longa, S. | | Deposit date: | 2008-04-16 | | Release date: | 2008-05-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | An X-Ray Diffraction and X-Ray Absorption Spectroscopy Joint Study of Neuroglobin.
Arch.Biochem.Biophys., 475, 2008
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1L5O
 | | Crystal Structure of CobT complexed with 3,4-dimethylphenol and nicotinate mononucleotide | | Descriptor: | 3,4-DIMETHYLPHENOL, NICOTINATE MONONUCLEOTIDE, Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase | | Authors: | Cheong, C.-G, Escalante-Semerena, J, Rayment, I. | | Deposit date: | 2002-03-07 | | Release date: | 2002-09-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Capture of a labile substrate by expulsion of water molecules from the active site of nicotinate mononucleotide:5,6-dimethylbenzimidazole phosphoribosyltransferase (CobT) from Salmonella enterica.
J.Biol.Chem., 277, 2002
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1L4F
 | | The crystal structure of CobT complexed with 4,5-dimethyl-1,2-phenylenediamine and nicotinate mononucleotide | | Descriptor: | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE, NICOTINATE MONONUCLEOTIDE, Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase | | Authors: | Cheong, C.-G, Escalante-Semerena, J, Rayment, I. | | Deposit date: | 2002-03-06 | | Release date: | 2002-09-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Capture of a labile substrate by expulsion of water molecules from the active site of nicotinate mononucleotide:5,6-dimethylbenzimidazole phosphoribosyltransferase (CobT) from Salmonella enterica.
J.Biol.Chem., 277, 2002
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3A1L
 | | Crystal Structure of 11,11'-Dichlorochromopyrrolic Acid Bound Cytochrome P450 StaP (CYP245A1) | | Descriptor: | 3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Makino, M, Sugimoto, H, Shiro, Y, Asamizu, S, Onaka, H, Nagano, S. | | Deposit date: | 2009-04-09 | | Release date: | 2009-05-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Theoretical and experimental studies of the conversion of chromopyrrolic acid to an antitumor derivative by cytochrome P450 StaP: the catalytic role of water molecules
J.Am.Chem.Soc., 131, 2009
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1LBM
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1LFL
 | | DEOXY HEMOGLOBIN (90% RELATIVE HUMIDITY) | | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Biswal, B.K, Vijayan, M. | | Deposit date: | 2002-04-11 | | Release date: | 2002-10-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structures of human oxy- and deoxyhaemoglobin at different levels of humidity: variability in the T state.
Acta Crystallogr.,Sect.D, 58, 2002
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3AGG
 | | X-ray analysis of lysozyme in the absence of Arg | | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | | Authors: | Ito, L, Shiraki, K, Hasegawa, K, Baba, S, Kumasaka, T. | | Deposit date: | 2010-03-31 | | Release date: | 2011-03-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | High-resolution X-ray analysis reveals binding of arginine to aromatic residues of lysozyme surface: implication of suppression of protein aggregation by arginine
Protein Eng.Des.Sel., 24, 2011
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6HZP
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1L8P
 | | Mg-phosphonoacetohydroxamate complex of S39A yeast enolase 1 | | Descriptor: | MAGNESIUM ION, PHOSPHONOACETOHYDROXAMIC ACID, enolase 1 | | Authors: | Poyner, R.R, Larsen, T.M, Wong, S.W, Reed, G.H. | | Deposit date: | 2002-03-21 | | Release date: | 2002-04-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Functional and structural changes due to a serine to alanine mutation in the active-site flap of enolase.
Arch.Biochem.Biophys., 401, 2002
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5MKB
 | | Maltodextrin binding protein MalE1 from L. casei BL23 without ligand | | Descriptor: | MalE1 | | Authors: | Homburg, C, Bommer, M, Wuttge, S, Hobe, C, Beck, S, Dobbek, H, Deutscher, J, Licht, A, Schneider, E. | | Deposit date: | 2016-12-03 | | Release date: | 2017-07-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Inducer exclusion in Firmicutes: insights into the regulation of a carbohydrate ATP binding cassette transporter from Lactobacillus casei BL23 by the signal transducing protein P-Ser46-HPr.
Mol. Microbiol., 105, 2017
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2E51
 | | Crystal structure of basic winged bean lectin in complex with A blood group disaccharide | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Basic agglutinin, ... | | Authors: | Kulkarni, K.A, Katiyar, S, Surolia, A, Vijayan, M, Suguna, K. | | Deposit date: | 2006-12-18 | | Release date: | 2007-06-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Generation of blood group specificity: new insights from structural studies on the complexes of A- and B-reactive saccharides with basic winged bean agglutinin.
Proteins, 68, 2007
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