3II2
 
 | | Structure of ORF157 from Acidianus Filamentous Virus 1 | | Descriptor: | CHLORIDE ION, GLYCEROL, MERCURY (II) ION, ... | | Authors: | Goulet, A, Porciero, S, Prangishvili, D, van Tilbeurgh, H, Cambillau, C, Campanacci, V. | | Deposit date: | 2009-07-31 | | Release date: | 2010-03-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | ORF157 from the archaeal virus Acidianus filamentous virus 1 defines a new class of nuclease
J.Virol., 84, 2010
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3II3
 | | Structure of ORF157 from Acidianus filamentous Virus 1 | | Descriptor: | GLYCEROL, NICKEL (II) ION, Putative uncharacterized protein | | Authors: | Goulet, A, Redder, P, Pina, M, Prangishvili, D, van Tilbeurgh, H, Cambillau, C, Campanacci, V. | | Deposit date: | 2009-07-31 | | Release date: | 2010-03-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | ORF157 from the archaeal virus Acidianus filamentous virus 1 defines a new class of nuclease
J.Virol., 84, 2010
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7AMZ
 | | Crystal structure of human Butyrylcholinesterase in complex with N-((2S,3R)-4-((2,2-dimethylpropyl)amino)-3-hydroxy-1-phenylbutan-2-yl)-2,2-diphenylacetamide | | Descriptor: | 2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Brazzolotto, X, Pasieka, A, Panek, D, Wieckowska, A. | | Deposit date: | 2020-10-10 | | Release date: | 2021-05-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Discovery of multifunctional anti-Alzheimer's agents with a unique mechanism of action including inhibition of the enzyme butyrylcholinesterase and gamma-aminobutyric acid transporters.
Eur.J.Med.Chem., 218, 2021
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6H2A
 | | Structure of S70A BlaC from Mycobacterium tuberculosis obtained from crystals produced in the presence of DTT | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Beta-lactamase, GLYCEROL, ... | | Authors: | Tassoni, R, Pannu, N.S, Ubbink, M. | | Deposit date: | 2018-07-13 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 58, 2019
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4K34
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7RT7
 | | Crystal structure of the RhsP2 C-terminal toxin domain in complex with its immunity protein, RhsI2 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, RhsI2, RhsP2 | | Authors: | Bullen, N.P, Prehna, G, Whitney, J.C. | | Deposit date: | 2021-08-12 | | Release date: | 2022-08-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | An ADP-ribosyltransferase toxin kills bacterial cells by modifying structured non-coding RNAs.
Mol.Cell, 82, 2022
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4WJG
 | | Structure of T. brucei haptoglobin-hemoglobin receptor binding to human haptoglobin-hemoglobin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Haptoglobin, ... | | Authors: | Stoedkilde, K, Torvund-Jensen, M, Moestrup, S.K, Andersen, C.B.F. | | Deposit date: | 2014-09-30 | | Release date: | 2014-11-26 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural basis for trypanosomal haem acquisition and susceptibility to the host innate immune system.
Nat Commun, 5, 2014
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5W56
 | | Structure of Apo AztC | | Descriptor: | GLYCEROL, Periplasmic solute binding protein, SODIUM ION | | Authors: | Avalos, D, Yukl, E.T. | | Deposit date: | 2017-06-14 | | Release date: | 2017-09-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Mechanisms of zinc binding to the solute-binding protein AztC and transfer from the metallochaperone AztD.
J. Biol. Chem., 292, 2017
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6E7K
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6BBU
 | | Crystal Structure of JAK1 in complex with compound 25 | | Descriptor: | N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK1 | | Authors: | Han, S. | | Deposit date: | 2017-10-19 | | Release date: | 2018-01-17 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases.
J. Med. Chem., 61, 2018
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3KE6
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6I46
 | | Structure of P. aeruginosa LpxC with compound 8: (2RS)-4-(5-(2-Fluoro-4-methoxyphenyl)-2-oxooxazol-3(2H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide | | Descriptor: | (2~{R})-4-[5-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-1,3-oxazol-3-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, GLYCEROL, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | Authors: | Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G. | | Deposit date: | 2018-11-09 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
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6BBV
 | | Crystal Structure of JAK2 in complex with compound 25 | | Descriptor: | N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK2 | | Authors: | Han, S. | | Deposit date: | 2017-10-19 | | Release date: | 2018-01-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases.
J. Med. Chem., 61, 2018
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5TQ5
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8IXM
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8IXH
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5TQ3
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5TQ6
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5TQ4
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6H0B
 | | Crystal structure of the human GalNAc-T4 in complex with UDP, manganese and the diglycopeptide 6. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, ALA-THR-GLY-ALA-GLY-ALA-GLY-ALA-GLY-THR-THR-PRO-GLY-PRO-GLY, ... | | Authors: | de las Rivas, M, Daniel, E.J.P, Coelho, H, Lira-Navarrete, E, Raich, L, Companon, I, Diniz, A, Lagartera, L, Jimenez-Barbero, J, Clausen, H, Rovira, C, Marcelo, F, Corzana, F, Gerken, T.A, Hurtado-Guerrero, R. | | Deposit date: | 2018-07-08 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Mechanistic Insights into the Catalytic-Domain-Mediated Short-Range Glycosylation Preferences of GalNAc-T4.
ACS Cent Sci, 4, 2018
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6H28
 | | Structure of S70A BlaC from Mycobacterium tuberculosis obtained from crystals produced in the absence of DTT | | Descriptor: | Beta-lactamase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Tassoni, R, Pannu, N.S, Ubbink, M. | | Deposit date: | 2018-07-13 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 58, 2019
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4OXK
 | | Multiple binding modes of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA within a tetramer | | Descriptor: | 3,6,9,12,15-pentaoxaoctadecan-17-amine, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | | Deposit date: | 2014-02-05 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8429 Å) | | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
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8GRW
 | | Spiroplasma melliferum FtsZ F224M bound to GDP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Chakraborty, J, Pananghat, G. | | Deposit date: | 2022-09-02 | | Release date: | 2023-09-06 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.40005422 Å) | | Cite: | Dynamics of interdomain rotation facilitates FtsZ filament assembly.
J.Biol.Chem., 300, 2024
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6H2K
 | | Structure of BlaC from Mycobacterium tuberculosis bound to the trans-enamine adduct of sulbactam. | | Descriptor: | ACETATE ION, Beta-lactamase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Tassoni, R, Pannu, N.S, Ubbink, M. | | Deposit date: | 2018-07-13 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 58, 2019
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3L2R
 | | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium | | Descriptor: | 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*TP*GP*TP*A)-3', 5'-D(*TP*AP*CP*AP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', AMMONIUM ION, ... | | Authors: | Hare, S, Gupta, S.S, Cherepanov, P. | | Deposit date: | 2009-12-15 | | Release date: | 2010-02-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Retroviral intasome assembly and inhibition of DNA strand transfer
Nature, 464, 2010
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