2WJZ
 
 | | Crystal structure of (HisH) K181A Y138A mutant of imidazoleglycerolphosphate synthase (HisH HisF) which displays constitutive glutaminase activity | | Descriptor: | IMIDAZOLE GLYCEROL PHOSPHATE SYNTHASE HISF, IMIDAZOLE GLYCEROL PHOSPHATE SYNTHASE SUBUNIT HISH, PHOSPHATE ION | | Authors: | Vega, M.C, List, F, Razeto, A, Haeger, M.C, Babinger, K, Kuper, J, Sterner, R, Wilmanns, M. | | Deposit date: | 2009-06-02 | | Release date: | 2010-08-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Catalysis Uncoupling in a Glutamine Amidotransferase Bienzyme by Unblocking the Glutaminase Active Site.
Chem.Biol., 19, 2012
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3PUC
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4A8B
 | | Symmetrized cryo-EM reconstruction of E. coli DegQ 12-mer in complex with lysozymes | | Descriptor: | LYSOZYME C, PERIPLASMIC PH-DEPENDENT SERINE ENDOPROTEASE DEGQ | | Authors: | Malet, H, Canellas, F, Sawa, J, Yan, J, Thalassinos, K, Ehrmann, M, Clausen, T, Saibil, H.R. | | Deposit date: | 2011-11-20 | | Release date: | 2012-01-11 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (13 Å) | | Cite: | Newly Folded Substrates Inside the Molecular Cage of the Htra Chaperone Degq
Nat.Struct.Mol.Biol., 19, 2012
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2X9Z
 | | STRUCTURE OF THE PILUS BACKBONE (RRGB) FROM STREPTOCOCCUS PNEUMONIAE | | Descriptor: | CELL WALL SURFACE ANCHOR FAMILY PROTEIN | | Authors: | Spraggon, G, Koesema, E, Scarselli, M, Malito, E, Biagini, M, Norais, N, Emolo, C, Barocchi, M.A, Giusti, F, Hilleringmann, M, Rappuoli, R, Lesley, S, Covacci, A, Masignani, V, Ferlenghi, I. | | Deposit date: | 2010-03-25 | | Release date: | 2010-06-30 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Supramolecular Organization of the Repetitive Backbone Unit of the Streptococcus Pneumoniae Pilus.
Plos One, 5, 2010
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2X9Y
 | | STRUCTURE OF THE PILUS BACKBONE (RRGB) FROM STREPTOCOCCUS PNEUMONIAE | | Descriptor: | CELL WALL SURFACE ANCHOR FAMILY PROTEIN | | Authors: | Spraggon, G, Koesema, E, Scarselli, M, Malito, E, Biagini, M, Norais, N, Emolo, C, Barocchi, M.A, Giusti, F, Hilleringmann, M, Rappuoli, R, Lesley, S, Covacci, A, Masignani, V, Ferlenghi, I. | | Deposit date: | 2010-03-25 | | Release date: | 2010-06-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Supramolecular Organization of the Repetitive Backbone Unit of the Streptococcus Pneumoniae Pilus.
Plos One, 5, 2010
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2X0G
 | | X-RAY STRUCTURE OF A DAP-KINASE CALMODULIN COMPLEX | | Descriptor: | CALCIUM ION, CALMODULIN, DEATH-ASSOCIATED PROTEIN KINASE 1, ... | | Authors: | Kuper, J, De Diego, I, Lehmann, F, Wilmanns, M. | | Deposit date: | 2009-12-08 | | Release date: | 2010-01-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Molecular Basis of the Death-Associated Protein Kinase-Calcium/Calmodulin Regulator Complex.
Sci.Signal, 3, 2010
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2X9X
 | | STRUCTURE OF THE PILUS BACKBONE (RRGB) FROM STREPTOCOCCUS PNEUMONIAE | | Descriptor: | CELL WALL SURFACE ANCHOR FAMILY PROTEIN, IMIDAZOLE, SODIUM ION | | Authors: | Spraggon, G, Koesema, E, Scarselli, M, Malito, E, Biagini, M, Norais, N, Emolo, C, Barocchi, M.A, Giusti, F, Hilleringmann, M, Rappuoli, R, Lesley, S, Covacci, A, Masignani, V, Ferlenghi, I. | | Deposit date: | 2010-03-25 | | Release date: | 2010-06-30 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Supramolecular Organization of the Repetitive Backbone Unit of the Streptococcus Pneumoniae Pilus.
Plos One, 5, 2010
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1G9R
 | | CRYSTAL STRUCTURE OF GALACTOSYLTRANSFERASE LGTC IN COMPLEX WITH MN AND UDP-2F-GALACTOSE | | Descriptor: | ACETIC ACID, GLYCOSYL TRANSFERASE, MANGANESE (II) ION, ... | | Authors: | Persson, K, Hoa, D.L, Diekelmann, M, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J. | | Deposit date: | 2000-11-27 | | Release date: | 2001-02-14 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the retaining galactosyltransferase LgtC from Neisseria meningitidis in complex with donor and acceptor sugar analogs.
Nat.Struct.Biol., 8, 2001
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1GA8
 | | CRYSTAL STRUCTURE OF GALACOSYLTRANSFERASE LGTC IN COMPLEX WITH DONOR AND ACCEPTOR SUGAR ANALOGS. | | Descriptor: | 4-deoxy-beta-D-xylo-hexopyranose-(1-4)-beta-D-glucopyranose, GALACTOSYL TRANSFERASE LGTC, MANGANESE (II) ION, ... | | Authors: | Persson, K, Ly, H.D, Diekelmann, M, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J. | | Deposit date: | 2000-11-29 | | Release date: | 2001-02-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the retaining galactosyltransferase LgtC from Neisseria meningitidis in complex with donor and acceptor sugar analogs.
Nat.Struct.Biol., 8, 2001
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3SUC
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2XJ0
 | | Protein kinase Pim-1 in complex with fragment-4 from crystallographic fragment screen | | Descriptor: | (E)-3-(2-AMINO-PYRIDINE-5YL)-ACRYLIC ACID, PROTO-ONCOGENE SERINE/THREONINE PROTEIN KINASE PIM-1 | | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | | Deposit date: | 2010-07-01 | | Release date: | 2011-02-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
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2XIZ
 | | Protein kinase Pim-1 in complex with fragment-3 from crystallographic fragment screen | | Descriptor: | (E)-PYRIDIN-4-YL-ACRYLIC ACID, PROTO-ONCOGENE SERINE/THREONINE PROTEIN KINASE PIM-1 | | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | | Deposit date: | 2010-07-01 | | Release date: | 2011-02-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
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2XJ1
 | | Protein kinase Pim-1 in complex with small molecule inibitor | | Descriptor: | (2E)-3-(3-{6-[(TRANS-4-AMINOCYCLOHEXYL)AMINO]PYRAZIN-2-YL}PHENYL)PROP-2-ENOIC ACID, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 | | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | | Deposit date: | 2010-07-01 | | Release date: | 2011-02-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
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4AVH
 | | Structure of the FimH lectin domain in the trigonal space group, in complex with a thioalkyl alpha-D-mannoside at 2.1 A resolution | | Descriptor: | 3-(propylsulfanyl)propyl alpha-D-mannopyranoside, FIMH, NICKEL (II) ION, ... | | Authors: | Wellens, A, Lahmann, M, Touaibia, M, Vaucher, J, Oscarson, S, Roy, R, Remaut, H, Bouckaert, J. | | Deposit date: | 2012-05-26 | | Release date: | 2012-06-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.105 Å) | | Cite: | The Tyrosine Gate as a Potential Entropic Lever in the Receptor-Binding Site of the Bacterial Adhesin Fimh.
Biochemistry, 51, 2012
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1LZN
 | | NEUTRON STRUCTURE OF HEN EGG-WHITE LYSOZYME | | Descriptor: | NITRATE ION, PROTEIN (LYSOZYME), SODIUM ION | | Authors: | Bon, C.I, Lehmann, M.S, Wilkinson, C. | | Deposit date: | 1999-03-23 | | Release date: | 1999-04-01 | | Last modified: | 2023-12-27 | | Method: | NEUTRON DIFFRACTION (1.7 Å) | | Cite: | Quasi-Laue neutron-diffraction study of the water arrangement in crystals of triclinic hen egg-white lysozyme.
Acta Crystallogr.,Sect.D, 55, 1999
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3Q5O
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2R6P
 | | Fit of E protein and Fab 1A1D-2 into 24 angstrom resolution cryoEM map of Fab complexed with dengue 2 virus. | | Descriptor: | Heavy chain of 1A1D-2, Light chain of 1A1D-2, Major envelope protein E | | Authors: | Lok, S.M, Kostyuchenko, V.K, Holdaway, H.A, Chipman, P.R, Kuhn, R.J, Rossmann, M.G. | | Deposit date: | 2007-09-06 | | Release date: | 2007-12-25 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (24 Å) | | Cite: | Binding of a neutralizing antibody to dengue virus alters the arrangement of surface glycoproteins.
Nat.Struct.Mol.Biol., 15, 2008
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8B9S
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1SYL
 | | Crystal structure of inactive mutant dUTPase complexed with substrate dUTP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DEOXYURIDINE-5'-TRIPHOSPHATE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | | Authors: | Barabas, O, Kovari, J, Pongracz, V, Wilmanns, M, Vertessy, B.G. | | Deposit date: | 2004-04-01 | | Release date: | 2004-09-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural Insights into the Catalytic Mechanism of Phosphate Ester Hydrolysis by dUTPase
J.Biol.Chem., 279, 2004
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2BSC
 | | E. coli F17a-G lectin domain complex with N-acetylglucosamine, high- resolution structure | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, F17A-G ADHESIN | | Authors: | Buts, L, Wellens, A, Van Molle, I, Wyns, L, Loris, R, Lahmann, M, Oscarson, S, De Greve, H, Bouckaert, J. | | Deposit date: | 2005-05-20 | | Release date: | 2006-05-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Impact of Natural Variation in Bacterial F17G Adhesins on Crystallization Behaviour.
Acta Crystallogr.,Sect.D, 61, 2005
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8C6P
 | | Fragment screening hit I bound to endothiapepsin | | Descriptor: | 4-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)methyl]benzenecarbonitrile, Endothiapepsin, GLYCEROL | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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8C6Q
 | | Fragment screening hit II bound to endothiapepsin | | Descriptor: | 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline, Endothiapepsin, GLYCEROL | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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8C71
 | | Pyrrolidine fragment 5b bound to endothiapepsin | | Descriptor: | (3~{R},4~{R})-4-(3,4-dihydro-1~{H}-isoquinolin-2-yl)pyrrolidin-3-ol, Endothiapepsin, GLYCEROL | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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8C72
 | | Pyrrolidine fragment 10b bound to endothiapepsin | | Descriptor: | (3~{S},4~{S})-4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-3-ol, Endothiapepsin, GLYCEROL | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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8C70
 | | Pyrrolidine fragment 1 bound to endothiapepsin | | Descriptor: | (3~{R},4~{R})-4-[4-[(5-bromanylpyridin-3-yl)oxymethyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol, Endothiapepsin | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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