5NX4
 
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5NX7
 | | Crystal structure of 1,8-cineole synthase from Streptomyces clavuligerus in complex with 2-fluoroneryl diphosphate and 2-fluorogeranyl diphosphate | | Descriptor: | (2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate, (2Z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, ... | | Authors: | Karuppiah, V, Leys, D, Scrutton, N.S. | | Deposit date: | 2017-05-09 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Structural Basis of Catalysis in the Bacterial Monoterpene Synthases Linalool Synthase and 1,8-Cineole Synthase.
ACS Catal, 7, 2017
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5KXH
 | | mouse POFUT1 in complex with mouse Factor VII EGF1 and GDP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor VII, GDP-fucose protein O-fucosyltransferase 1, ... | | Authors: | Li, Z, Rini, J.M. | | Deposit date: | 2016-07-20 | | Release date: | 2017-05-17 | | Last modified: | 2021-03-24 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Recognition of EGF-like domains by the Notch-modifying O-fucosyltransferase POFUT1.
Nat. Chem. Biol., 13, 2017
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5KY5
 | | mouse POFUT1 in complex with EGF(+) and GDP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, EGF(+), GDP-fucose protein O-fucosyltransferase 1, ... | | Authors: | Li, Z, Rini, J.M. | | Deposit date: | 2016-07-21 | | Release date: | 2017-05-17 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Recognition of EGF-like domains by the Notch-modifying O-fucosyltransferase POFUT1.
Nat. Chem. Biol., 13, 2017
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5NX6
 | | Crystal structure of 1,8-cineole synthase from Streptomyces clavuligerus in complex with 2-fluoroneryl diphosphate | | Descriptor: | (2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, ETHYL DIMETHYL AMMONIO PROPANE SULFONATE, ... | | Authors: | Karuppiah, V, Leys, D, Scrutton, N.S. | | Deposit date: | 2017-05-09 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structural Basis of Catalysis in the Bacterial Monoterpene Synthases Linalool Synthase and 1,8-Cineole Synthase.
ACS Catal, 7, 2017
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5KY3
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3GSB
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5KQE
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3IAP
 | | E. coli (lacZ) beta-galactosidase (E416Q) | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | | Authors: | Lo, S, Dugdale, M.L, Jeerh, N, Ku, T, Roth, N.J, Huber, R.E. | | Deposit date: | 2009-07-14 | | Release date: | 2009-12-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Studies of Glu-416 variants of beta-galactosidase (E. coli) show that the active site Mg(2+) is not important for structure and indicate that the main role of Mg (2+) is to mediate optimization of active site chemistry
Protein J., 29, 2010
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4I10
 | | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates | | Descriptor: | 2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}pyrido[4,3-d]pyrimidin-4(1H)-one, Beta-secretase 1, ZINC ION | | Authors: | Lougheed, J.C, Brecht, E, Yao, N.H. | | Deposit date: | 2012-11-19 | | Release date: | 2013-03-06 | | Last modified: | 2013-04-24 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
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4I6S
 | | Structure of RSL mutant W76A in complex with L-fucose | | Descriptor: | 1,2-ETHANEDIOL, Putative fucose-binding lectin protein, TETRAETHYLENE GLYCOL, ... | | Authors: | Audfray, A, Arnaud, J, Varrot, A, Imberty, A. | | Deposit date: | 2012-11-30 | | Release date: | 2013-07-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Reduction of lectin valency drastically changes glycolipid dynamics in membranes but not surface avidity
Acs Chem.Biol., 8, 2013
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6H7V
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5K4Z
 | | M. thermoresistible IMPDH in complex with IMP and Compound 6 | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, ~{N}-(4-fluorophenyl)-4-(2~{H}-indazol-6-ylsulfamoyl)-3,5-dimethyl-1~{H}-pyrrole-2-carboxamide | | Authors: | Pacitto, A, Ascher, D.B, Blundell, T.L. | | Deposit date: | 2016-05-22 | | Release date: | 2016-10-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Essential but Not Vulnerable: Indazole Sulfonamides Targeting Inosine Monophosphate Dehydrogenase as Potential Leads against Mycobacterium tuberculosis.
ACS Infect Dis, 3, 2017
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3IAQ
 | | E. coli (lacz) beta-galactosidase (E416V) | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | | Authors: | Lo, S, Dugdale, M.L, Jeerh, N, Ku, T, Roth, N.J, Huber, R.E. | | Deposit date: | 2009-07-14 | | Release date: | 2009-12-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Studies of Glu-416 variants of beta-galactosidase (E. coli) show that the active site Mg(2+) is not important for structure and indicate that the main role of Mg (2+) is to mediate optimization of active site chemistry
Protein J., 29, 2010
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5MWF
 | | Human Jagged2 C2-EGF2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Suckling, R.J, Handford, P.A, Lea, S.M. | | Deposit date: | 2017-01-18 | | Release date: | 2017-06-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands.
EMBO J., 36, 2017
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5K4X
 | | M. thermoresistible IMPDH in complex with IMP and Compound 1 | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, ~{N}-(2~{H}-indazol-6-yl)-3,5-dimethyl-1~{H}-pyrazole-4-sulfonamide | | Authors: | Pacitto, A, Ascher, D.B, Blundell, T.L. | | Deposit date: | 2016-05-22 | | Release date: | 2016-10-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Essential but Not Vulnerable: Indazole Sulfonamides Targeting Inosine Monophosphate Dehydrogenase as Potential Leads against Mycobacterium tuberculosis.
ACS Infect Dis, 3, 2017
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5MW7
 | | Human Jagged2 C2-EGF3 | | Descriptor: | Protein jagged-2, alpha-L-fucopyranose | | Authors: | Suckling, R.J, Handford, P.A, Lea, S.M. | | Deposit date: | 2017-01-18 | | Release date: | 2017-06-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands.
EMBO J., 36, 2017
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6WUD
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6WU7
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5MW5
 | | Human Jagged2 C2-EGF2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protein jagged-2 | | Authors: | Suckling, R.J, Handford, P.A, Lea, S.M. | | Deposit date: | 2017-01-18 | | Release date: | 2017-06-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands.
EMBO J., 36, 2017
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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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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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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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7P8S
 | | Crystal Structure of leukotoxin LukE from Staphylococcus aureus at 1.9 Angstrom resolution | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, HEXAETHYLENE GLYCOL, 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 (1.9 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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