6F8T
 
 | | Crystal structure of the PDE4D catalytic domain in complex with GEBR-4a | | Descriptor: | (2~{R})-1-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-3-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]propan-2-ol, MAGNESIUM ION, ZINC ION, ... | | Authors: | Prosdocimi, T, Donini, S, Parisini, E. | | Deposit date: | 2017-12-13 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018
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6EUS
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6LBB
 | | Crystal structure of barley exohydrolaseI W434A mutant in complex with 4I,4III,4V-S-trithiocellohexaose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Beta-D-glucan exohydrolase isoenzyme ExoI, ... | | Authors: | Luang, S, Streltsov, V.A, Hrmova, M. | | Deposit date: | 2019-11-14 | | Release date: | 2020-09-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
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6LBV
 | | Crystal structure of barley exohydrolaseI W434F mutant in complex with methyl 6-thio-beta-gentiobioside | | Descriptor: | ACETATE ION, Beta-D-glucan exohydrolase isoenzyme ExoI, GLYCEROL, ... | | Authors: | Luang, S, Streltsov, V.A, Hrmova, M. | | Deposit date: | 2019-11-15 | | Release date: | 2020-09-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
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6F0O
 | | Botulinum neurotoxin A3 Hc domain | | Descriptor: | 1,2-ETHANEDIOL, Bontoxilysin A, PENTAETHYLENE GLYCOL, ... | | Authors: | Davies, J.R, Liu, S.M, Acharya, K.R. | | Deposit date: | 2017-11-20 | | Release date: | 2018-01-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | High resolution crystal structures of Clostridium botulinum neurotoxin A3 and A4 binding domains.
J. Struct. Biol., 202, 2018
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6F8V
 | | Crystal structure of the PDE4D catalytic domain in complex with GEBR-18b | | Descriptor: | 3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-[(2~{R},6~{R})-2,6-dimethylmorpholin-4-yl]propan-1-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Prosdocimi, T, Donini, S, Parisini, E. | | Deposit date: | 2017-12-13 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018
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7AK9
 | | Structure of Salmonella TacT3 toxin bound to TacA3 antitoxin C-terminal peptide | | Descriptor: | ABC transporter, Acetyltransferase, DEPHOSPHO COENZYME A | | Authors: | Grabe, G.J, Morgan, R.M.L, Hare, S.A, Helaine, S. | | Deposit date: | 2020-09-30 | | Release date: | 2021-08-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Auxiliary interfaces support the evolution of specific toxin-antitoxin pairing.
Nat.Chem.Biol., 17, 2021
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7AK7
 | | Structure of Salmonella TacT2 toxin bound to TacA2 antitoxin | | Descriptor: | ACETYL COENZYME *A, Acetyltransferase, CHLORIDE ION, ... | | Authors: | Grabe, G.J, Morgan, R.M.L, Hare, S.A, Helaine, S. | | Deposit date: | 2020-09-30 | | Release date: | 2021-08-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Auxiliary interfaces support the evolution of specific toxin-antitoxin pairing.
Nat.Chem.Biol., 17, 2021
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7AK8
 | | Structure of Salmonella TacT1 toxin bound to TacA1 antitoxin C-terminal peptide | | Descriptor: | ACETYL COENZYME *A, GCN5 family acetyltransferase, GLYCEROL, ... | | Authors: | Grabe, G.J, Morgan, R.M.L, Helaine, S, Hare, S.A. | | Deposit date: | 2020-09-30 | | Release date: | 2021-08-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Auxiliary interfaces support the evolution of specific toxin-antitoxin pairing.
Nat.Chem.Biol., 17, 2021
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4J7W
 | | E3_5 DARPin L86A mutant | | Descriptor: | DARPin_E3_5_L86A | | Authors: | Seeger, M.A, Gruetter, M.G. | | Deposit date: | 2013-02-14 | | Release date: | 2013-08-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Design, construction, and characterization of a second-generation DARPin library with reduced hydrophobicity.
Protein Sci., 22, 2013
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6F9R
 | | Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with Sampatrilat-Asp. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Cozier, G.E, Acharya, K.R. | | Deposit date: | 2017-12-15 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structures of sampatrilat and sampatrilat-Asp in complex with human ACE - a molecular basis for domain selectivity.
FEBS J., 285, 2018
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6F8R
 | | Crystal structure of the PDE4D catalytic domain in complex with GEBR-54 | | Descriptor: | (2~{S})-1-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Prosdocimi, T, Donini, S, Parisini, E. | | Deposit date: | 2017-12-13 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.826 Å) | | Cite: | Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018
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6FDC
 | | Crystal structure of the PDE4D catalytic domain in complex with GEBR-32a | | Descriptor: | (2~{R})-1-[3-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol, (2~{S})-1-[5-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol, 1,2-ETHANEDIOL, ... | | Authors: | Prosdocimi, T, Donini, S, Parisini, E. | | Deposit date: | 2017-12-22 | | Release date: | 2018-05-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018
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4YDM
 | | High resolution crystal structure of human transthyretin bound to ligand and conjugates of 3-(5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)phenyl fluorosulfate | | Descriptor: | 2,6-dichloro-4-[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol, Transthyretin | | Authors: | Connelly, S, Bradbury, N.C. | | Deposit date: | 2015-02-22 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | A Fluorogenic Aryl Fluorosulfate for Intraorganellar Transthyretin Imaging in Living Cells and in Caenorhabditis elegans.
J.Am.Chem.Soc., 137, 2015
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6FKO
 | | Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATP, dGMP, hadacidin at 2.1 Angstrom resolution | | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Adenylosuccinate synthetase, ... | | Authors: | Sleiman, D, Loc'h, J, Haouz, A, Kaminski, P.A. | | Deposit date: | 2018-01-24 | | Release date: | 2019-06-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATP, dGMP, HAdacidin at 2.1 Angstrom resolution
To Be Published
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3MKT
 | | Structure of a Cation-bound Multidrug and Toxin Compound Extrusion (MATE) transporter | | Descriptor: | Multi antimicrobial extrusion protein (Na(+)/drug antiporter) MATE-like MDR efflux pump | | Authors: | He, X, Szewczyk, P, Karyakin, A, Evin, M, Hong, W.-X, Zhang, Q, Chang, G. | | Deposit date: | 2010-04-15 | | Release date: | 2010-09-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.65 Å) | | Cite: | Structure of a cation-bound multidrug and toxic compound extrusion transporter.
Nature, 467, 2010
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4YDN
 | | High resolution crystal structure of human transthyretin bound to ligand and conjugates of 4-(5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)phenyl fluorosulfate | | Descriptor: | 2,6-dichloro-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol, 4-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl sulfurofluoridate, Transthyretin | | Authors: | Connelly, S, Bradbury, N.C. | | Deposit date: | 2015-02-22 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | A Fluorogenic Aryl Fluorosulfate for Intraorganellar Transthyretin Imaging in Living Cells and in Caenorhabditis elegans.
J.Am.Chem.Soc., 137, 2015
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5UOS
 | | Crystal Structure of CblC (MMACHC) (1-238), a human B12 processing enzyme, complexed with an Antivitamin B12 | | Descriptor: | 1-ethynyl-2,4-difluorobenzene, 2-PHENYLAMINO-ETHANESULFONIC ACID, COBALAMIN, ... | | Authors: | Shanmuganathan, A, Karasik, A, Ruetz, M, Banerjee, R, Krautler, B, Koutmos, M. | | Deposit date: | 2017-02-01 | | Release date: | 2017-06-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Antivitamin B12 Inhibition of the Human B12 -Processing Enzyme CblC: Crystal Structure of an Inactive Ternary Complex with Glutathione as the Cosubstrate.
Angew. Chem. Int. Ed. Engl., 56, 2017
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4YPS
 | | (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | | Descriptor: | 4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile, High affinity nerve growth factor receptor, SULFATE ION | | Authors: | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | | Deposit date: | 2015-03-13 | | Release date: | 2015-06-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1012 Å) | | Cite: | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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5V8D
 | | Structure of Bacillus cereus PatB1 with sulfonyl adduct | | Descriptor: | Bacillus cereus PatB1, SULFATE ION | | Authors: | Sychantha, D, Little, D.J, Chapman, R.N, Boons, G.J, Robinson, H, Howell, P.L, Clarke, A.J. | | Deposit date: | 2017-03-21 | | Release date: | 2017-10-18 | | Last modified: | 2020-01-08 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | PatB1 is an O-acetyltransferase that decorates secondary cell wall polysaccharides.
Nat. Chem. Biol., 14, 2018
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4J8Y
 | | E3_5 DARPin D77S mutant | | Descriptor: | DARPin_E3_5_D77S | | Authors: | Seeger, M.A, Gruetter, M.G. | | Deposit date: | 2013-02-15 | | Release date: | 2013-08-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design, construction, and characterization of a second-generation DARPin library with reduced hydrophobicity.
Protein Sci., 22, 2013
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5V3S
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6MGT
 | | Crystal structure of alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase Mutant H110A | | Descriptor: | 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, COBALT (II) ION | | Authors: | Yang, Y, Daivs, I, Matsui, T, Rubalcava, I, Liu, A. | | Deposit date: | 2018-09-14 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Quaternary structure of alpha-amino-beta-carboxymuconate-ε-semialdehyde decarboxylase (ACMSD) controls its activity.
J.Biol.Chem., 294, 2019
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4Z08
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4Z44
 | | F454K Mutant of Tryptophan 7-halogenase PrnA | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent tryptophan halogenase PrnA, ... | | Authors: | Shepherd, S.A, Karthikeyan, C, Latham, J, Struck, A.-W, Thompson, M.L, Menon, B, Levy, C.W, Leys, D, Micklefield, J. | | Deposit date: | 2015-04-01 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.204 Å) | | Cite: | Extending the biocatalytic scope of regiocomplementary flavin-dependent halogenase enzymes.
Chem Sci, 6, 2015
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