7NL7
 
 | | Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand | | Descriptor: | 3-Aminopropyl 2-deoxy-2-(4-phenyl-1,2,3-triazol-1-yl)-alpha-D-mannopyranoside, CALCIUM ION, DC-SIGN, ... | | Authors: | Jakob, R.P, Cramer, J, Lakkaichi, A, Aliu, B, Cattaneo, I, Klein, S, Jiang, X, Rabbani, S, Schwardt, O, Ernst, B, Maier, T. | | Deposit date: | 2021-02-22 | | Release date: | 2021-10-27 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Sweet Drugs for Bad Bugs: A Glycomimetic Strategy against the DC-SIGN-Mediated Dissemination of SARS-CoV-2.
J.Am.Chem.Soc., 143, 2021
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8OKF
 | | WD repeat containing protein 5 (WDR5)- PER2 peptide | | Descriptor: | CHLORIDE ION, Glutathione S-transferase class-mu 26 kDa isozyme,WD repeat domain 5, PENTAETHYLENE GLYCOL, ... | | Authors: | Wolf, E, Boergel, A. | | Deposit date: | 2023-03-28 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A structural competition involving WDR5 times circadian oscillations
To Be Published
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5HLZ
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8SP5
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7PUT
 | | Crystal structure of Thioredoxin Reductase from Brugia Malayi in complex with NADP(H) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Fata, F, Ardini, M, Silvestri, I, Gabriele, F, Ippoliti, R, Gencheva, R, Cheng, Q, Arner, E.S.J, Angelucci, F, Williams, D.L. | | Deposit date: | 2021-09-30 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Biochemical and structural characterizations of thioredoxin reductase selenoproteins of the parasitic filarial nematodes Brugia malayi and Onchocerca volvulus.
Redox Biol, 51, 2022
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5HMC
 | | Crystal structure of S. sahachiroi AziG complexed with 5-methyl naphthoic acid | | Descriptor: | 5-methylnaphthalene-1-carboxylic acid, Azi13, SULFATE ION | | Authors: | Zhang, Y, Erb, M.S, Ealick, S.E. | | Deposit date: | 2016-01-15 | | Release date: | 2016-02-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Polyketide Ring Expansion Mediated by a Thioesterase, Chain Elongation and Cyclization Domain, in Azinomycin Biosynthesis: Characterization of AziB and AziG.
Biochemistry, 55, 2016
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8SP7
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5CTV
 | | Catalytic domain of LytA, the major autolysin of Streptococcus pneumoniae, (C60A, H133A, C136A mutant) complexed with peptidoglycan fragment | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, Autolysin, fragment of peptidoglycan | | Authors: | Achour, A, Sandalova, T, Mellroth, P. | | Deposit date: | 2015-07-24 | | Release date: | 2016-06-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | The crystal structure of the major pneumococcal autolysin LytA in complex with a large peptidoglycan fragment reveals the pivotal role of glycans for lytic activity.
Mol.Microbiol., 101, 2016
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7Z62
 | | Structure of the LecA lectin from Pseudomonas aeruginosa in complex with a biaryl-thiogalactoside | | Descriptor: | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[1-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-oxane-3,4,5-triol, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Varrot, A. | | Deposit date: | 2022-03-10 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Discovery of potent 1,1-diarylthiogalactoside glycomimetic inhibitors of Pseudomonas aeruginosa LecA with antibiofilm properties.
Eur.J.Med.Chem., 247, 2022
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5CU2
 | | Crystal structure of CK2alpha with 2-hydroxy-5-methylbenzoic acid and (methyl 4-((3-(3-chloro-4-(phenyl)benzylamino)propyl)amino)-4-oxobutanoat bound | | Descriptor: | 2-hydroxy-5-methylbenzoic acid, ACETATE ION, Casein kinase II subunit alpha, ... | | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | | Deposit date: | 2015-07-24 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.705 Å) | | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
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7PQ0
 | | Crystal structure of the Burkholderia Lethal Factor 1 (BLF1) C94S inactive mutant in complex with human eIF4A - Crystal form B | | Descriptor: | Burkholderia Lethal Factor 1 (BLF1), Eukaryotic initiation factor 4A-I | | Authors: | Mobbs, G.W, Aziz, A.A, Dix, S.R, Blackburn, G.M, Sedelnikova, S.E, Minshull, T.C, Dickman, M.J, Baker, P.J, Nathan, S, Firdaus-Raih, M, Rice, D.W. | | Deposit date: | 2021-09-15 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Molecular basis of specificity and deamidation of eIF4A by Burkholderia Lethal Factor 1.
Commun Biol, 5, 2022
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7VMJ
 | | Crystal structure of tubulin with 17a | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Jifa, Z, Lun, T. | | Deposit date: | 2021-10-08 | | Release date: | 2022-10-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of tubulin with 17j
To Be Published
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7PPZ
 | | Crystal structure of the Burkholderia Lethal Factor 1 (BLF1) C94S inactive mutant in complex with human eIF4A - Crystal form A | | Descriptor: | Burkholderia Lethal Factor 1 (BLF1), Eukaryotic initiation factor 4A-I | | Authors: | Mobbs, G.W, Aziz, A.A, Dix, S.R, Blackburn, G.M, Sedelnikova, S.E, Minshull, T.C, Dickman, M.J, Baker, P.J, Nathan, S, Firdaus-Raih, M, Rice, D.W. | | Deposit date: | 2021-09-15 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Molecular basis of specificity and deamidation of eIF4A by Burkholderia Lethal Factor 1.
Commun Biol, 5, 2022
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8ONP
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6N5I
 | | FtsY-NG high-resolution | | Descriptor: | GLYCEROL, POTASSIUM ION, Signal recognition particle receptor FtsY | | Authors: | Ataide, S.F, Faoro, C. | | Deposit date: | 2018-11-21 | | Release date: | 2019-10-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.498 Å) | | Cite: | Structural insights into the G-loop dynamics of E. coli FtsY NG domain.
J.Struct.Biol., 208, 2019
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7NL4
 | | OsNIP2;1 silicon transporter from rice | | Descriptor: | Aquaporin NIP2-1, CADMIUM ION | | Authors: | van den Berg, B. | | Deposit date: | 2021-02-22 | | Release date: | 2021-11-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Basis for Silicic Acid Uptake by Higher Plants.
J.Mol.Biol., 433, 2021
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5UNI
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7YZT
 | | Crystal structure of a dye-decolorizing (Dyp) peroxidase from Acinetobacter radioresistens | | Descriptor: | Dyp-type peroxidase family protein, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Zhang, C, Catucci, G, Gilardi, G, Sadeghi, S.J, Di Nardo, G. | | Deposit date: | 2022-02-21 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of a decolorizing peroxidase (Dyp) from Acinetobacter radioresistens
To Be Published
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5CVH
 | | Crystal Structure of CK2alpha | | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ... | | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | | Deposit date: | 2015-07-26 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.848 Å) | | Cite: | Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
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8OZ8
 | | Crystal Structure of an Hydroxynitrile lyase variant (H96A) from Granulicella tundricola | | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM, BROMIDE ION, ... | | Authors: | Bento, I, Coloma, J, Hagedoorn, P.-L, Hanefeld, U. | | Deposit date: | 2023-05-08 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Can a Hydroxynitrile Lyase Catalyze an Oxidative Cleavage?
Acs Catalysis, 13, 2023
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7N13
 | | Crystal structure of MTH1 in complex with compound 32 | | Descriptor: | 4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-7-fluoroquinoline-3-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | Authors: | Eron, S.J. | | Deposit date: | 2021-05-26 | | Release date: | 2021-11-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Development of an AchillesTAG degradation system and its application to control CAR-T activity
Curr Res Chem Biol, 1, 2021
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5UO4
 | | Structure of human neuronal nitric oxide synthase heme domain in complex with 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)ethyl)benzonitrile | | Descriptor: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[2-(methylamino)ethyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-01-31 | | Release date: | 2017-05-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
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8OKJ
 | | Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_12 | | Descriptor: | Carbonic anhydrase 2, ZINC ION, [(3~{R},5~{S},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate | | Authors: | Brynda, J, Rezacova, P.M, Kudova, E. | | Deposit date: | 2023-03-28 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
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8VRG
 | | E. coli peptidyl-prolyl cis-trans isomerase containing delta1-monofluoro-leucines | | Descriptor: | Peptidyl-prolyl cis-trans isomerase B | | Authors: | Frkic, R.L, Jackson, C.J. | | Deposit date: | 2024-01-22 | | Release date: | 2024-05-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Conformational Preferences of the Non-Canonical Amino Acids (2 S ,4 S )-5-Fluoroleucine, (2 S ,4 R )-5-Fluoroleucine, and 5,5'-Difluoroleucine in a Protein.
Biochemistry, 63, 2024
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7VHE
 | | Crystal structure of the STX2a complexed with RRRA peptide | | Descriptor: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, GLYCEROL, RRRA peptide, ... | | Authors: | Senda, M, Takahashi, M, Nishikawa, K, Senda, T. | | Deposit date: | 2021-09-22 | | Release date: | 2022-07-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A unique peptide-based pharmacophore identifies an inhibitory compound against the A-subunit of Shiga toxin.
Sci Rep, 12, 2022
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