6LTB
 
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8U0I
 | | Crystal structure of PA0012 complexed with cyclic-di-GMP from Pseudomonas aeruginosa | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), GLYCEROL, PilZ domain-containing protein | | Authors: | Hammons, N.A, Schnicker, N.J, Fuentes, E.J. | | Deposit date: | 2023-08-29 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.541 Å) | | Cite: | Crystal structure of PA0012 complexed with cyclic-di-GMP from Pseudomonas aeruginosa
To Be Published
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7MBW
 | | Crystal structure of TnsC(1-503)A225V | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transposon Tn7 transposition protein TnsC | | Authors: | Shen, Y, Guarne, A. | | Deposit date: | 2021-04-01 | | Release date: | 2022-02-23 | | Last modified: | 2022-03-02 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for DNA targeting by the Tn7 transposon.
Nat.Struct.Mol.Biol., 29, 2022
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7UUE
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI85 | | Descriptor: | 3C-like proteinase nsp5, benzyl [(2S,3R)-1-({(2S)-1-[2-(3-amino-3-oxopropyl)-2-propanoylhydrazinyl]-3-cyclohexyl-1-oxopropan-2-yl}amino)-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name) | | Authors: | Yang, K.S, Liu, W.R. | | Deposit date: | 2022-04-28 | | Release date: | 2023-01-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023
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6LTA
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5BXW
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8QC9
 | | Crystal structure of the outer membrane decaheme cytochrome MtrC (A293Boc-Lys) | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Nash, B.W, Lockwood, C.J, Edwards, M.J, Whiting, K, Butt, J.N, Clarke, T.A. | | Deposit date: | 2023-08-25 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Genetic Code Expansion in Shewanella oneidensis MR-1 Allows Site-Specific Incorporation of Bioorthogonal Functional Groups into a c -Type Cytochrome.
Acs Synth Biol, 13, 2024
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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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7MHU
 | | Sialidase24 apo | | Descriptor: | Exo-alpha-sialidase | | Authors: | Rees, S.D, Chang, G.A. | | Deposit date: | 2021-04-15 | | Release date: | 2022-02-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Computational models in the service of X-ray and cryo-electron microscopy structure determination.
Proteins, 89, 2021
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8QJI
 | | Crystal structure of GSK3b in complex with N-(4-(5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl)pyridin-2-yl)cyclopropanecarboxamide inhibitor (TW362) | | Descriptor: | Glycogen synthase kinase-3 beta, N-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]pyridin-2-yl]cyclopropanecarboxamide | | Authors: | Slugocka, E.A, Grygier, P, Wichur, T, Czarna, A, Wieckowska, A. | | Deposit date: | 2023-09-13 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Exploring Novel GSK-3 beta Inhibitors for Anti-Neuroinflammatory and Neuroprotective Effects: Synthesis, Crystallography, Computational Analysis, and Biological Evaluation.
Acs Chem Neurosci, 15, 2024
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6M38
 | | X-ray structure of a Drosophila dopamine transporter with subsiteB mutations (D121G/S426M) in S-duloxetine bound form | | Descriptor: | (3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine, Antibody fragment 9D5 heavy chain, Antibody fragment 9D5 light chain, ... | | Authors: | Shabareesh, P, Mallela, A.K, Joseph, D, Penmatsa, A. | | Deposit date: | 2020-03-02 | | Release date: | 2021-02-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.001 Å) | | Cite: | Structural basis of norepinephrine recognition and transport inhibition in neurotransmitter transporters.
Nat Commun, 12, 2021
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7P8X
 | | Crystal Structure of leukotoxin LukE from Staphylococcus aureus in complex with a doubly sulfated CCR2 N-terminal peptide | | Descriptor: | C-C chemokine receptor type 2, IMIDAZOLE, Leucotoxin LukEv, ... | | Authors: | Lambey, P, Hoh, F, Peysson, F, Granier, S, Leyrat, C. | | Deposit date: | 2021-07-23 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural insights into recognition of chemokine receptors by Staphylococcus aureus leukotoxins.
Elife, 11, 2022
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5TZ8
 | | Crystal structure of S. aureus TarS | | Descriptor: | Glycosyl transferase | | Authors: | Worrall, L.J, Sobhanifar, S, King, D.T, Strynadka, N.C. | | Deposit date: | 2016-11-21 | | Release date: | 2017-01-04 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Structure and Mechanism of Staphylococcus aureus TarS, the Wall Teichoic Acid beta-glycosyltransferase Involved in Methicillin Resistance.
PLoS Pathog., 12, 2016
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5H2X
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7UQ9
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6M3Z
 | | X-ray structure of a Drosophila dopamine transporter with NET-like mutations (D121G/S426M/F471L) in milnacipran bound form | | Descriptor: | (1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenyl-cyclopropane-1-carboxamide, Antibody fragment 9D5 Light chain, Antibody fragment 9D5 heavy chain, ... | | Authors: | Shabareesh, P, Mallela, A.K, Joseph, D, Penmatsa, A. | | Deposit date: | 2020-03-04 | | Release date: | 2021-02-17 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Structural basis of norepinephrine recognition and transport inhibition in neurotransmitter transporters.
Nat Commun, 12, 2021
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7P8U
 | | Crystal Structure of leukotoxin LukE from Staphylococcus aureus in complex with p-cresyl sulfate | | Descriptor: | (4-methylphenyl) hydrogen sulfate, DI(HYDROXYETHYL)ETHER, IMIDAZOLE, ... | | Authors: | Lambey, P, Hoh, F, Peysson, F, Granier, S, Leyrat, C. | | Deposit date: | 2021-07-23 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural insights into recognition of chemokine receptors by Staphylococcus aureus leukotoxins.
Elife, 11, 2022
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8U07
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8QTY
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6M47
 | | X-ray structure of a Drosophila dopamine transporter with NET-like mutations (D121G/S426M/F471L) in tramadol bound form | | Descriptor: | (1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol, Antibody fragment 9D5 light chain, Antibody fragment Heavy chain, ... | | Authors: | Shabareesh, P, Mallela, A.K, Joseph, D, Penmatsa, A. | | Deposit date: | 2020-03-05 | | Release date: | 2021-02-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.252 Å) | | Cite: | Structural basis of norepinephrine recognition and transport inhibition in neurotransmitter transporters.
Nat Commun, 12, 2021
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8QWA
 | | Adenylosuccinate Synthetase from H. pylori in complex with PLP and IMP | | Descriptor: | Adenylosuccinate synthetase, GLYCEROL, INOSINIC ACID, ... | | Authors: | Bzowska, A, Narczyk, M, Maksymiuk, W. | | Deposit date: | 2023-10-19 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Vitamin B6 inhibits activity of Helicobacter pylori adenylosuccinate synthetase and growth of reference and clinical, antibiotic-resistant H. pylori strains.
J Enzyme Inhib Med Chem, 39, 2024
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7P93
 | | Crystal Structure of leukotoxin LukE from Staphylococcus aureus in complex with a sulfated ACKR1 N-terminal peptide | | Descriptor: | Atypical chemokine receptor 1, Leucotoxin LukEv | | Authors: | Lambey, P, Hoh, F, Peysson, F, Granier, S, Leyrat, C. | | Deposit date: | 2021-07-23 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural insights into recognition of chemokine receptors by Staphylococcus aureus leukotoxins.
Elife, 11, 2022
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7P8T
 | | Crystal Structure of leukotoxin LukE from Staphylococcus aureus at 1.5 Angstrom resolution | | Descriptor: | CHLORIDE ION, Leucotoxin LukEv | | Authors: | Lambey, P, Hoh, F, Granier, S, Leyrat, C. | | Deposit date: | 2021-07-23 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.459 Å) | | Cite: | Structural insights into recognition of chemokine receptors by Staphylococcus aureus leukotoxins.
Elife, 11, 2022
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7UTW
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8QAL
 | | Crystal Structure of the first bromodomain of BRD4 in complex with acetyl-pyrrole derivative compound 83 | | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(3-methyl-4-oxidanylidene-2,5,6,7-tetrahydroisoindol-1-yl)-1,3-thiazol-2-yl]guanidine, Bromodomain-containing protein 4 | | Authors: | Dalle Vedove, A, Cazzanelli, G, Lolli, G. | | Deposit date: | 2023-08-23 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Dual BET/BRPF1 inhibitors induce morphological alteration and cellular death in various human cancer cell lines
To be published
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