1EJ0
 
 | | FTSJ RNA METHYLTRANSFERASE COMPLEXED WITH S-ADENOSYLMETHIONINE, MERCURY DERIVATIVE | | Descriptor: | FTSJ, MERCURY (II) ION, S-ADENOSYLMETHIONINE | | Authors: | Bugl, H, Fauman, E.B, Staker, B.L, Zheng, F, Kushner, S.R, Saper, M.A, Bardwell, J.C.A, Jakob, U. | | Deposit date: | 2000-02-29 | | Release date: | 2000-08-30 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | RNA methylation under heat shock control.
Mol.Cell, 6, 2000
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1E69
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1E4P
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8ANR
 | | Fucosylated alternate chirality linear peptide FHP30 bound to the fucose binding lectin LecB PA-IIL from Pseudomonas aeruginosa at 1.6 Angstrom resolution. | | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin PA-IIL, ... | | Authors: | Personne, H, Stocker, A, Reymond, J.-L. | | Deposit date: | 2022-08-05 | | Release date: | 2023-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | To Fold or Not to Fold: Diastereomeric Optimization of an alpha-Helical Antimicrobial Peptide.
J.Med.Chem., 66, 2023
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1EJA
 | | STRUCTURE OF PORCINE TRYPSIN COMPLEXED WITH BDELLASTASIN, AN ANTISTASIN-TYPE INHIBITOR | | Descriptor: | BDELLASTASIN, SODIUM ION, TRYPSIN | | Authors: | Rester, U, Moser, M, Huber, R, Bode, W. | | Deposit date: | 2000-03-02 | | Release date: | 2001-03-02 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | L-Isoaspartate 115 of porcine beta-trypsin promotes crystallization of its complex with bdellastasin.
Acta Crystallogr.,Sect.D, 56, 2000
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1EBH
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1EDH
 | | E-CADHERIN DOMAINS 1 AND 2 IN COMPLEX WITH CALCIUM | | Descriptor: | CALCIUM ION, E-CADHERIN, MERCURY (II) ION | | Authors: | Nagar, B, Overduin, M, Ikura, M, Rini, J.M. | | Deposit date: | 1996-05-15 | | Release date: | 1997-01-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of calcium-induced E-cadherin rigidification and dimerization.
Nature, 380, 1996
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8AOO
 | | Fucosylated mixed-chirality linear peptide FHP31 bound to the fucose binding lectin LecB PA-IIL from Pseudomonas aeruginosa at 1.2 Angstrom resolution. | | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin PA-IIL, ... | | Authors: | Personne, H, Stocker, A, Reymond, J.-L. | | Deposit date: | 2022-08-08 | | Release date: | 2023-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | To Fold or Not to Fold: Diastereomeric Optimization of an alpha-Helical Antimicrobial Peptide.
J.Med.Chem., 66, 2023
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1EJH
 | | EIF4E/EIF4G PEPTIDE/7-METHYL-GDP | | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, EUKARYOTIC INITIATION FACTOR 4E, EUKARYOTIC INITIATION FACTOR 4GII | | Authors: | Marcotrigiano, J, Gingras, A.-C, Sonenberg, N, Burley, S.K. | | Deposit date: | 2000-03-02 | | Release date: | 2000-03-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Cap-dependent translation initiation in eukaryotes is regulated by a molecular mimic of eIF4G.
Mol.Cell, 3, 1999
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1EDZ
 | | STRUCTURE OF THE NAD-DEPENDENT 5,10-METHYLENETETRAHYDROFOLATE DEHYDROGENASE FROM SACCHAROMYCES CEREVISIAE | | Descriptor: | 5,10-METHYLENETETRAHYDROFOLATE DEHYDROGENASE | | Authors: | Monzingo, A.F, Breksa, A, Ernst, S, Appling, D.R, Robertus, J.D. | | Deposit date: | 2000-01-28 | | Release date: | 2000-12-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The X-ray structure of the NAD-dependent 5,10-methylenetetrahydrofolate dehydrogenase from Saccharomyces cerevisiae.
Protein Sci., 9, 2000
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1EEI
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8AN9
 | | Fucosylated mixed-chirality linear peptide FHP5 bound to the fucose binding lectin LecB PA-IIL from Pseudomonas aeruginosa at 1.3 Angstrom resolution. | | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin PA-IIL, ... | | Authors: | Personne, H, Stocker, A, Reymond, J.-L. | | Deposit date: | 2022-08-04 | | Release date: | 2023-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.273 Å) | | Cite: | To Fold or Not to Fold: Diastereomeric Optimization of an alpha-Helical Antimicrobial Peptide.
J.Med.Chem., 66, 2023
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1EJX
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4N9X
 | | Crystal Structure of the OCTAPRENYL-METHYL-METHOXY-BENZQ MOLECULE from Erwina carotovora subsp. atroseptica strain SCRI 1043 / ATCC BAA-672, Northeast Structural Genomics Consortium (NESG) Target EwR161 | | Descriptor: | Putative monooxygenase | | Authors: | Kuzin, A, Chen, Y, Lew, S, Seetharaman, J, Mao, L, Xiao, R, Owens, L.A, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-10-21 | | Release date: | 2013-11-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.503 Å) | | Cite: | Crystal Structure of the OCTAPRENYL-METHYL-METHOXY-BENZQ MOLECULE from Erwina carotovora subsp. atroseptica strain SCRI 1043 / ATCC BAA-672, Northeast Structural Genomics Consortium (NESG) Target EwR161
To be Published
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4NA8
 | | Factor XIa in complex with the inhibitor 5-aminocarbonyl-2-[3-[(2s,4r)-6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1h-quinolin-2-yl]phenyl]benzoic acid | | Descriptor: | 1,2-ETHANEDIOL, 5-aminocarbonyl-2-[3-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl]phenyl]benzoic acid, Coagulation factor XI, ... | | Authors: | Wei, A. | | Deposit date: | 2013-10-21 | | Release date: | 2014-02-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Tetrahydroquinoline Derivatives as Potent and Selective Factor XIa Inhibitors.
J.Med.Chem., 57, 2014
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4NAH
 | | Inhibitors of 4-Phosphopanthetheine Adenylyltransferase (PPAT) | | Descriptor: | 2-[(2-{(1S,2S)-2-[(3,4-dichlorobenzyl)carbamoyl]cyclohexyl}-6-ethylpyrimidin-4-yl)sulfanyl]-1H-imidazole-5-carboxylic acid, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Phosphopantetheine adenylyltransferase | | Authors: | Lahiri, S.D. | | Deposit date: | 2013-10-22 | | Release date: | 2014-03-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Discovery of inhibitors of 4'-phosphopantetheine adenylyltransferase (PPAT) to validate PPAT as a target for antibacterial therapy.
Antimicrob.Agents Chemother., 57, 2013
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3W3M
 | | Crystal structure of human TLR8 in complex with Resiquimod (R848) crystal form 2 | | Descriptor: | 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, ... | | Authors: | Tanji, H, Ohto, U, Shimizu, T. | | Deposit date: | 2012-12-22 | | Release date: | 2013-04-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural reorganization of the Toll-like receptor 8 dimer induced by agonistic ligands
Science, 339, 2013
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3W41
 | | Crystal structure of RsbX in complex with magnesium in space group P21 | | Descriptor: | MAGNESIUM ION, Phosphoserine phosphatase RsbX | | Authors: | Teh, A.H, Makino, M, Baba, S, Shimizu, N, Yamamoto, M, Kumasaka, T. | | Deposit date: | 2013-01-04 | | Release date: | 2014-01-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structure of the RsbX phosphatase involved in the general stress response of Bacillus subtilis
Acta Crystallogr.,Sect.D, 71, 2015
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4HO2
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3W42
 | | Crystal structure of RsbX in complex with manganese in space group P1 | | Descriptor: | MANGANESE (II) ION, Phosphoserine phosphatase RsbX | | Authors: | Teh, A.H, Makino, M, Baba, S, Shimizu, N, Yamamoto, M, Kumasaka, T. | | Deposit date: | 2013-01-04 | | Release date: | 2014-01-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Structure of the RsbX phosphatase involved in the general stress response of Bacillus subtilis
Acta Crystallogr.,Sect.D, 71, 2015
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4N2B
 | | Crystal structure of Protein Arginine Deiminase 2 (10 mM Ca2+) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Protein-arginine deiminase type-2 | | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | | Deposit date: | 2013-10-04 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
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4HJB
 | | GCN4pLI derivative with alpha/beta/cyclic-gamma amino acid substitution pattern | | Descriptor: | GCN4pLI(alpha/beta/cyclic-gamma) | | Authors: | Shin, Y.H, Mortenson, D.E, Satyshur, K.A, Forest, K.T, Gellman, S.H. | | Deposit date: | 2012-10-12 | | Release date: | 2013-06-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Differential Impact of beta and gamma Residue Preorganization on alpha / beta / gamma-Peptide Helix Stability in Water.
J.Am.Chem.Soc., 135, 2013
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4NA7
 | | Factor XIA in complex with the inhibitor 3'-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]biphenyl-2-carboxylic acid | | Descriptor: | 3'-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]biphenyl-2-carboxylic acid, Coagulation factor XI, SULFATE ION | | Authors: | Wei, A. | | Deposit date: | 2013-10-21 | | Release date: | 2014-02-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Tetrahydroquinoline Derivatives as Potent and Selective Factor XIa Inhibitors.
J.Med.Chem., 57, 2014
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3WEZ
 | | Crystal structure of human beta-galactosidase in complex with NOEV | | Descriptor: | (1S,2S,3S,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Suzuki, H, Ohto, U, Shimizu, T. | | Deposit date: | 2013-07-16 | | Release date: | 2014-04-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Structural basis of pharmacological chaperoning for human beta-galactosidase
to be published
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4MNI
 | | Crystal structure of a TRAP periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_4736), Target EFI-510156, with bound benzoyl formate, space group P6522 | | Descriptor: | BENZOYL-FORMIC ACID, TRAP dicarboxylate transporter-DctP subunit | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-09-10 | | Release date: | 2013-09-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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