2FQX
 
 | | PnrA from Treponema pallidum complexed with guanosine | | Descriptor: | GUANOSINE, Membrane lipoprotein tmpC | | Authors: | Brautigam, C.A, Deka, R.K, Tomchick, D.R, Machius, M, Norgard, M.V. | | Deposit date: | 2006-01-18 | | Release date: | 2006-02-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The PnrA (Tp0319; TmpC) lipoprotein represents a new family of bacterial purine nucleoside receptor encoded within an ATP-binding cassette (ABC)-like operon in Treponema pallidum
J.Biol.Chem., 281, 2006
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2FQW
 | | PnrA from Treponema pallidum as purified from E. coli (bound to inosine) | | Descriptor: | INOSINE, Membrane lipoprotein tmpC | | Authors: | Brautigam, C.A, Deka, R.K, Tomchick, D.R, Machius, M, Norgard, M.V. | | Deposit date: | 2006-01-18 | | Release date: | 2006-02-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | The PnrA (Tp0319; TmpC) lipoprotein represents a new family of bacterial purine nucleoside receptor encoded within an ATP-binding cassette (ABC)-like operon in Treponema pallidum
J.Biol.Chem., 281, 2006
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7VHC
 | | Crystal structure of the STX2a complexed with AR4A peptide | | Descriptor: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, Shiga toxin 2 B subunit, inhibitor 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 (1.8 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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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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7VHF
 | | Crystal structure of the STX2a complexed with RRA peptide | | Descriptor: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, GLYCEROL, RRA 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 (1.75 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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7VHD
 | | Crystal structure of the STX2a complexed with R4A peptide | | Descriptor: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ARG-ARG-ARG-ARG-ALA, Shiga toxin 2 B subunit, ... | | 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 (1.8 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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6R2G
 | | Crystal structure of a single-chain protein mimetic of the gp41 NHR trimer in complex with the synthetic CHR peptide C34 | | Descriptor: | Envelope glycoprotein gp160, PHOSPHATE ION, Single-chain protein mimetics of the N-terminal heptad-repeat region of gp41 | | Authors: | Camara-Artigas, A, Conejero-Lara, F, Jurado, S, Cano-Munoz, M, Morel, B. | | Deposit date: | 2019-03-17 | | Release date: | 2019-07-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and Thermodynamic Analysis of HIV-1 Fusion Inhibition Using Small gp41 Mimetic Proteins.
J.Mol.Biol., 431, 2019
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1IKT
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8AQX
 | | streptavidin mutant S112I with an iridium catalyst for CH activation | | Descriptor: | Streptavidin, tert-butyl 7'-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate | | Authors: | Igareta, N.V, Ward, T.R. | | Deposit date: | 2022-08-14 | | Release date: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | streptavidin mutant S112I with an iridium catalyst for CH activation
To Be Published
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8AQD
 | | Hydrophobic probe bound to Streptavidin - 1 | | Descriptor: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[6-(dimethylamino)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]pentanamide, Streptavidin | | Authors: | Igareta, N.V, Ward, T.R. | | Deposit date: | 2022-08-12 | | Release date: | 2022-08-31 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Hydrophobic probe bound to Streptavidin - 1
To Be Published
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6QJJ
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6QJI
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6QJG
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6QJK
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6QJF
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6QJL
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8AQY
 | | streptavidin mutant S112A with an iridium catalyst for CH activation | | Descriptor: | Streptavidin, tert-butyl 7'-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate | | Authors: | Igareta, N.V, Ward, T.R. | | Deposit date: | 2022-08-15 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | streptavidin mutant S112A with an iridium catalyst for CH activation
To Be Published
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8OJW
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8OJX
 | | Streptavidin S112YK121E artificial metalloenzyme for carboamination | | Descriptor: | IRIDIUM ION, Streptavidin, trichloro{(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]cyclopentadienyl}rhodium(1+) | | Authors: | Igareta, N.V, Ward, T.R. | | Deposit date: | 2023-03-25 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Streptavidin WT artificial metalloenzyme for carboamination
To Be Published
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8BY1
 | | streptavidin with an iridium catalyst for CH activation | | Descriptor: | SULFATE ION, Streptavidin, tert-butyl 7'-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate | | Authors: | Igareta, N.V, Ward, T.R. | | Deposit date: | 2022-12-11 | | Release date: | 2023-12-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.486 Å) | | Cite: | streptavidin mutant S112I with an iridium catalyst for CH activation
To Be Published
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8BY0
 | | streptavidin mutant S112I K121R with an iridium catalyst for CH activation | | Descriptor: | SULFATE ION, Streptavidin, tert-butyl 7'-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate | | Authors: | Igareta, N.V, Ward, T.R. | | Deposit date: | 2022-12-11 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | streptavidin mutant S112I with an iridium catalyst for CH activation
To Be Published
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8P8K
 | | Acyl-ACP thioesterase from Lemna paucicostata in complex with a thiazolopyridine | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[2,6-bis(fluoranyl)phenyl]-6-chloranyl-[1,3]thiazolo[4,5-b]pyridine, Acyl-ACP thioesterase | | Authors: | Freigang, J. | | Deposit date: | 2023-06-01 | | Release date: | 2023-09-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A Study in Scaffold Hopping: Discovery and Optimization of Thiazolopyridines as Potent Herbicides That Inhibit Acyl-ACP Thioesterase.
J.Agric.Food Chem., 71, 2023
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6QJD
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6QJN
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2R9J
 | | Ligand recognition in C-lobe: The crystal structure of the complex of lactoferrin C-lobe with nicotinamide at 2.5 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | | Authors: | Mir, R, Vikram, G, Singh, N, Kumar, S, Sinha, M, Sharma, S, Kaur, P, Singh, T.P. | | Deposit date: | 2007-09-13 | | Release date: | 2007-10-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Ligand recognition in C-lobe: The crystal structure of the complex of lactoferrin C-lobe with nicotinamide at 2.5 A resolution
To be Published
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