7OP0
 
 | | Crystal structure of complement C5 in complex with chemically synthesized K92 knob domain. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5 alpha chain, ... | | Authors: | Macpherson, A, van der Elsen, J.M.H, Schulze, M.E, Birtley, J.R. | | Deposit date: | 2021-05-28 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | The Chemical Synthesis of Knob Domain Antibody Fragments.
Acs Chem.Biol., 16, 2021
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6WMT
 | | F. tularensis RNAPs70-(MglA-SspA)-ppGpp-PigR-iglA DNA complex | | Descriptor: | DNA NT-strand, DNA NT-strand downstream, DNA T-strand, ... | | Authors: | Travis, B.A, Brennan, R.G, Schumacher, M.A. | | Deposit date: | 2020-04-21 | | Release date: | 2020-11-11 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.43 Å) | | Cite: | Structural Basis for Virulence Activation of Francisella tularensis.
Mol.Cell, 81, 2021
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7AD6
 | | Crystal structure of human complement C5 in complex with the K92 bovine knob domain peptide. | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CYSTEINE, ... | | Authors: | Macpherson, A, van den Elsen, J.M.H, Schulze, M.E, Birtley, J.R. | | Deposit date: | 2020-09-14 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | The allosteric modulation of Complement C5 by knob domain peptides.
Elife, 10, 2021
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7AD7
 | | Crystal structure of human complement C5 in complex with the K8 bovine knob domain peptide. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Macpherson, A, van den Elsen, J.M.H, Schulze, M.E, Birtley, J.R. | | Deposit date: | 2020-09-14 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The allosteric modulation of Complement C5 by knob domain peptides.
Elife, 10, 2021
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6A3H
 | | 2-DEOXY-2-FLURO-B-D-CELLOTRIOSYL/ENZYME INTERMEDIATE COMPLEX OF THE ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHEARANS AT 1.6 ANGSTROM RESOLUTION | | Descriptor: | ENDOGLUCANASE, GLYCEROL, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-glucopyranose | | Authors: | Davies, G.J, Varrot, A, Dauter, M, Brzozowski, A.M, Schulein, M, Mackenzie, L, Withers, S.G. | | Deposit date: | 1998-07-22 | | Release date: | 1999-07-24 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Snapshots along an enzymatic reaction coordinate: analysis of a retaining beta-glycoside hydrolase.
Biochemistry, 37, 1998
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7A3H
 | | NATIVE ENDOGLUCANASE CEL5A CATALYTIC CORE DOMAIN AT 0.95 ANGSTROMS RESOLUTION | | Descriptor: | ENDOGLUCANASE, ETHANOL, GLYCEROL | | Authors: | Davies, G.J, Varrot, A, Dauter, M, Brzozowski, A.M, Schulein, M, Mackenzie, L, Withers, S.G. | | Deposit date: | 1998-08-05 | | Release date: | 1999-08-06 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Snapshots along an enzymatic reaction coordinate: analysis of a retaining beta-glycoside hydrolase.
Biochemistry, 37, 1998
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8V4H
 | | X-ray structure of the NADP-dependent reductase from Campylobacter jejuni responsible for the synthesis of CDP-glucitol in the presence of CDP-glucitol | | Descriptor: | CHLORIDE ION, PHOSPHATE ION, Putative nucleotide sugar dehydratase, ... | | Authors: | Thoden, J.B, Schumann, M.E, Holden, H.M, Raushel, F.M. | | Deposit date: | 2023-11-29 | | Release date: | 2023-12-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Biosynthesis of Cytidine Diphosphate-6-d-Glucitol for the Capsular Polysaccharides of Campylobacter jejuni.
Biochemistry, 63, 2024
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2V9U
 | | Rim domain of main porin from Mycobacteria smegmatis | | Descriptor: | MSPA | | Authors: | Grueninger, D, Ziegler, M.O.P, Koetter, J.W.A, Treiber, N, Schulze, M.-S, Schulz, G.E. | | Deposit date: | 2007-08-27 | | Release date: | 2008-01-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Designed Protein-Protein Association.
Science, 319, 2008
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2UZ1
 | | 1.65 Angstrom structure of Benzaldehyde Lyase complexed with 2-methyl- 2,4-pentanediol | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BENZALDEHYDE LYASE, THIAMINE DIPHOSPHATE | | Authors: | Maraite, A, Schmidt, T, Ansorge-Schumacher, M.B, Brzozowski, A.M, Grogan, G. | | Deposit date: | 2007-04-23 | | Release date: | 2007-07-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure of the Thdp-Dependent Enzyme Benzaldehyde Lyase Refined to 1.65 A Resolution.
Acta Crystallogr.,Sect.F, 63, 2007
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7B6W
 | | Crystal structure of the human alpha1B adrenergic receptor in complex with inverse agonist (+)-cyclazosin | | Descriptor: | Alpha-1B adrenergic receptor,alpha1B adrenergic receptor,Alpha-1B adrenergic receptor,alpha1B adrenergic receptor,Alpha-1B adrenergic receptor,alpha1B adrenergic receptor,Alpha-1B adrenergic receptor,alpha1B adrenergic receptor, [(4~{a}~{R},8~{a}~{S})-4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-2,3,4~{a},5,6,7,8,8~{a}-octahydroquinoxalin-1-yl]-(furan-2-yl)methanone | | Authors: | Deluigi, M, Morstein, L, Hilge, M, Schuster, M, Merklinger, L, Klipp, A, Scott, D.J, Plueckthun, A. | | Deposit date: | 2020-12-08 | | Release date: | 2022-01-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.873 Å) | | Cite: | Crystal structure of the alpha 1B -adrenergic receptor reveals molecular determinants of selective ligand recognition.
Nat Commun, 13, 2022
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4YIX
 | | Structure of MRB1590 bound to ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, MERCURY (II) ION, ... | | Authors: | Shaw, P.L.R, Schumacher, M.A. | | Deposit date: | 2015-03-02 | | Release date: | 2015-08-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structures of the T. brucei kRNA editing factor MRB1590 reveal unique RNA-binding pore motif contained within an ABC-ATPase fold.
Nucleic Acids Res., 43, 2015
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2A3H
 | | CELLOBIOSE COMPLEX OF THE ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHERANS AT 2.0 A RESOLUTION | | Descriptor: | ENDOGLUCANASE, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Davies, G.J, Brzozowski, A.M, Andersen, K, Schulein, M. | | Deposit date: | 1998-01-22 | | Release date: | 1999-03-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the Bacillus agaradherans family 5 endoglucanase at 1.6 A and its cellobiose complex at 2.0 A resolution
Biochemistry, 37, 1998
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4C4O
 | | Structure of carbonyl reductase CPCR2 from Candida parapsilosis in complex with NADH | | Descriptor: | 1,2-ETHANEDIOL, CARBONYL REDUCTASE CPCR2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Man, H, Loderer, C, Ansorge-Schumacher, M, Grogan, G. | | Deposit date: | 2013-09-06 | | Release date: | 2014-07-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure of Nadh-Dependent Carbonyl Reductase (Cpcr2) from Candida Parapsilosis Provides Insight Into Mutations that Improve Catalytic Properties
Chemcatchem, 6, 2014
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8A3H
 | | Cellobiose-derived imidazole complex of the endoglucanase cel5A from Bacillus agaradhaerens at 0.97 A resolution | | Descriptor: | (5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside, ACETATE ION, GLYCEROL, ... | | Authors: | Varrot, A, Schulein, M, Pipelier, M, Vasella, A, Davies, G.J. | | Deposit date: | 1999-01-20 | | Release date: | 2000-01-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Lateral Protonation of a Glycosidase Inhibitor. Structure of the Bacillus agaradhaerens Cel5A in Complex with a Cellobiose-Derived Imidazole at 0.97 A Resolution
J.Am.Chem.Soc., 121, 1999
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5A3H
 | | 2-DEOXY-2-FLURO-B-D-CELLOBIOSYL/ENZYME INTERMEDIATE COMPLEX OF THE ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHEARANS AT 1.8 ANGSTROMS RESOLUTION | | Descriptor: | ENDOGLUCANASE, beta-D-glucopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-glucopyranose | | Authors: | Davies, G.J, Varrot, A, Dauter, M, Brzozowski, A.M, Schulein, M, Mackenzie, L, Withers, S.G. | | Deposit date: | 1998-07-23 | | Release date: | 1999-07-24 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Snapshots along an enzymatic reaction coordinate: analysis of a retaining beta-glycoside hydrolase.
Biochemistry, 37, 1998
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4YIY
 | | Structure of MRB1590 bound to AMP-PNP | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, kRNA Editing A6 Specific Protein | | Authors: | Shaw, P.L.R, Schumacher, M.A. | | Deposit date: | 2015-03-02 | | Release date: | 2015-08-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.016 Å) | | Cite: | Structures of the T. brucei kRNA editing factor MRB1590 reveal unique RNA-binding pore motif contained within an ABC-ATPase fold.
Nucleic Acids Res., 43, 2015
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4UR9
 | | Structure of ligand bound glycosylhydrolase | | Descriptor: | 4-ethoxyquinazoline, CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, ... | | Authors: | Darby, J.F, Landstroem, J, Roth, C, He, Y, Schultz, M, Davies, G.J, Hubbard, R.E. | | Deposit date: | 2014-06-27 | | Release date: | 2015-02-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of Selective Small-Molecule Activators of a Bacterial Glycoside Hydrolase.
Angew.Chem.Int.Ed.Engl., 53, 2014
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7TFB
 | | P. polymyxa GS(14)-Q-GlnR peptide | | Descriptor: | GLUTAMINE, GlnR C-tail peptide, Glutamine synthetase, ... | | Authors: | Travis, B.A, Peck, J, Schumacher, M.A. | | Deposit date: | 2022-01-06 | | Release date: | 2022-06-29 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (2.28 Å) | | Cite: | Molecular dissection of the glutamine synthetase-GlnR nitrogen regulatory circuitry in Gram-positive bacteria.
Nat Commun, 13, 2022
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7TF9
 | | L. monocytogenes GS(14)-Q-GlnR peptide | | Descriptor: | C-tail peptide of Glutamine synthetase repressor, GLUTAMINE, Glutamine synthetase, ... | | Authors: | Travis, B.A, Peck, J, Schumacher, M.A. | | Deposit date: | 2022-01-06 | | Release date: | 2022-06-29 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (2.61 Å) | | Cite: | Molecular dissection of the glutamine synthetase-GlnR nitrogen regulatory circuitry in Gram-positive bacteria.
Nat Commun, 13, 2022
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7TFA
 | | P. polymyxa GS(12)-Q-GlnR peptide | | Descriptor: | GLUTAMINE, GlnR C-tail peptide, Glutamine synthetase, ... | | Authors: | Travis, B.A, Peck, J, Schumacher, M.A. | | Deposit date: | 2022-01-06 | | Release date: | 2022-06-29 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (2.07 Å) | | Cite: | Molecular dissection of the glutamine synthetase-GlnR nitrogen regulatory circuitry in Gram-positive bacteria.
Nat Commun, 13, 2022
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7TF6
 | | S. aureus GS(12)-Q-GlnR peptide | | Descriptor: | GLUTAMINE, Glutamine synthetase, MAGNESIUM ION, ... | | Authors: | Travis, B.A, Peck, J, Schumacher, M.A. | | Deposit date: | 2022-01-06 | | Release date: | 2022-06-29 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (2.15 Å) | | Cite: | Molecular dissection of the glutamine synthetase-GlnR nitrogen regulatory circuitry in Gram-positive bacteria.
Nat Commun, 13, 2022
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7TFE
 | | L. monocytogenes GS(12) - apo | | Descriptor: | Glutamine synthetase, MAGNESIUM ION | | Authors: | Travis, B.A, Peck, J, Schumacher, M.A. | | Deposit date: | 2022-01-06 | | Release date: | 2022-06-29 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Molecular dissection of the glutamine synthetase-GlnR nitrogen regulatory circuitry in Gram-positive bacteria.
Nat Commun, 13, 2022
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7TFC
 | | B. subtilis GS(14)-Q-GlnR peptide | | Descriptor: | GLUTAMINE, GlnR C-tail peptide, Glutamine synthetase, ... | | Authors: | Travis, B.A, Peck, J, Schumacher, M.A. | | Deposit date: | 2022-01-06 | | Release date: | 2022-06-29 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (1.96 Å) | | Cite: | Molecular dissection of the glutamine synthetase-GlnR nitrogen regulatory circuitry in Gram-positive bacteria.
Nat Commun, 13, 2022
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7TFD
 | | P. polymyxa GS(12) - apo | | Descriptor: | Glutamine synthetase, MAGNESIUM ION | | Authors: | Travis, B.A, Peck, J, Schumacher, M.A. | | Deposit date: | 2022-01-06 | | Release date: | 2022-06-29 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Molecular dissection of the glutamine synthetase-GlnR nitrogen regulatory circuitry in Gram-positive bacteria.
Nat Commun, 13, 2022
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5O2D
 | | PARP14 Macrodomain 2 with inhibitor | | Descriptor: | Poly [ADP-ribose] polymerase 14, ~{N}-[2-(9~{H}-carbazol-1-yl)phenyl]methanesulfonamide | | Authors: | Uth, K, Schuller, M, Sieg, C, Wang, J, Krojer, T, Knapp, S, Riedels, K, Bracher, F, Edwards, A.M, Arrowsmith, C, Bountra, C, Elkins, J.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-05-20 | | Release date: | 2017-11-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of a Selective Allosteric Inhibitor Targeting Macrodomain 2 of Polyadenosine-Diphosphate-Ribose Polymerase 14.
ACS Chem. Biol., 12, 2017
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