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5M12
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BU of 5m12 by Molmil
Structure of GH36 alpha-galactosidase from Thermotoga maritima in complex with intact cyclopropyl-carbasugar.
Descriptor: (1~{R},2~{S},3~{S},4~{R},5~{S},6~{S})-5-[3,5-bis(fluoranyl)phenoxy]-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4-triol, Alpha-galactosidase, MAGNESIUM ION, ...
Authors:Pengelly, R, Gloster, T.
Deposit date:2016-10-07
Release date:2016-11-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural Snapshots for Mechanism-Based Inactivation of a Glycoside Hydrolase by Cyclopropyl Carbasugars.
Angew.Chem.Int.Ed.Engl., 55, 2016
5M0X
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BU of 5m0x by Molmil
Structure of apo structure of GH36 alpha-galactosidase from Thermotoga maritima
Descriptor: Alpha-galactosidase, MAGNESIUM ION, SULFATE ION
Authors:Pengelly, R, Gloster, T.
Deposit date:2016-10-06
Release date:2016-11-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Snapshots for Mechanism-Based Inactivation of a Glycoside Hydrolase by Cyclopropyl Carbasugars.
Angew.Chem.Int.Ed.Engl., 55, 2016
5M16
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BU of 5m16 by Molmil
Structure of GH36 alpha-galactosidase from Thermotoga maritima in complex with a hydrolysed cyclopropyl carbasugar.
Descriptor: (1~{R},2~{S},3~{S},4~{S},5~{S},6~{S})-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4,5-tetrol, Alpha-galactosidase, MAGNESIUM ION, ...
Authors:Pengelly, R, Gloster, T.
Deposit date:2016-10-07
Release date:2016-11-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structural Snapshots for Mechanism-Based Inactivation of a Glycoside Hydrolase by Cyclopropyl Carbasugars.
Angew.Chem.Int.Ed.Engl., 55, 2016
5M1I
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BU of 5m1i by Molmil
Structure of GH36 alpha-galactosidase from Thermotoga maritima in a covalent complex with a cyclopropyl carbasugar.
Descriptor: (1~{R},2~{S},3~{S},4~{S},6~{R})-4-fluoranyl-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3-diol, 1,2-ETHANEDIOL, Alpha-galactosidase, ...
Authors:Pengelly, R, Gloster, T.
Deposit date:2016-10-07
Release date:2016-11-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural Snapshots for Mechanism-Based Inactivation of a Glycoside Hydrolase by Cyclopropyl Carbasugars.
Angew.Chem.Int.Ed.Engl., 55, 2016
7NDU
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BU of 7ndu by Molmil
Gag:02 TCR in complex with HLA-E featuring a non-natural amino acid
Descriptor: Beta-2-microglobulin, Gag6V(276-284 H4C), HLA class I histocompatibility antigen, ...
Authors:Pengelly, R.J, Robinson, R.A.
Deposit date:2021-02-02
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition.
Eur.J.Immunol., 52, 2022
7NDT
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BU of 7ndt by Molmil
UL40:01 TCR in complex with HLA-E with a non-natural amino acid
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, alpha chain E, ...
Authors:Pengelly, R.J, Robinson, R.A.
Deposit date:2021-02-02
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.999 Å)
Cite:Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition.
Eur.J.Immunol., 52, 2022
7NDQ
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BU of 7ndq by Molmil
Gag:02 TCR in complex with HLA-E.
Descriptor: Beta-2-microglobulin, Gag6V, HLA class I histocompatibility antigen, ...
Authors:Pengelly, R.J, Robinson, R.A.
Deposit date:2021-02-02
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.551 Å)
Cite:Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition.
Eur.J.Immunol., 52, 2022
6GVD
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BU of 6gvd by Molmil
Alpha-galactosidase from Thermotoga maritima in complex with cyclohexene-based carbasugar mimic of galactose
Descriptor: (1~{S},2~{S},3~{S},4~{S})-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol, Alpha-galactosidase, MAGNESIUM ION, ...
Authors:Gloster, T.M, Pengelly, R.J.
Deposit date:2018-06-20
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level.
Nat Commun, 9, 2018
6GTA
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BU of 6gta by Molmil
Alpha-galactosidase mutant D378A from Thermotoga maritima in complex with intact cyclohexene-based carbasugar mimic of galactose with 3,5 difluorophenyl leaving group
Descriptor: (1~{R},2~{S},3~{S},6~{S})-6-[3,5-bis(fluoranyl)phenoxy]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol, Alpha-galactosidase, MAGNESIUM ION, ...
Authors:Gloster, T.M, Pengelly, R.J.
Deposit date:2018-06-17
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level.
Nat Commun, 9, 2018
6GWG
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BU of 6gwg by Molmil
Alpha-galactosidase from Thermotoga maritima in complex with cyclohexene-based carbasugar mimic of galactose covalently linked to the nucleophile
Descriptor: (1~{S},2~{S},3~{S})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol, Alpha-galactosidase, GLYCEROL, ...
Authors:Gloster, T.M, Oehler, V.
Deposit date:2018-06-24
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level.
Nat Commun, 9, 2018
6GWF
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BU of 6gwf by Molmil
Alpha-galactosidase mutant D387A from Thermotoga maritima in complex with intact cyclohexene-based carbasugar mimic of galactose with 2,4-dinitro leaving group
Descriptor: (1~{S},2~{S},5~{S},6~{R})-5-(2,4-dinitrophenoxy)-6-fluoranyl-3-(hydroxymethyl)cyclohex-3-ene-1,2-diol, Alpha-galactosidase, MAGNESIUM ION, ...
Authors:Gloster, T.M, Oehler, V.
Deposit date:2018-06-24
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level.
Nat Commun, 9, 2018
6GX8
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BU of 6gx8 by Molmil
Alpha-galactosidase from Thermotoga maritima in complex with hydrolysed cyclohexene-based carbasugar mimic of galactose
Descriptor: (1~{S},2~{S},3~{S},4~{S})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol, Alpha-galactosidase, GLYCEROL, ...
Authors:Gloster, T.M, Oehler, V.
Deposit date:2018-06-26
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level.
Nat Commun, 9, 2018
6ZKX
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BU of 6zkx by Molmil
Crystal structure of InhA:01 TCR in complex with HLA-E (Y84C) bound to InhA (53-61 GCG)
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
Authors:Srikannathasan, V, Karuppiah, V, Robinson, R.A.
Deposit date:2020-06-30
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition.
Eur.J.Immunol., 52, 2022
6ZKY
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BU of 6zky by Molmil
Crystal structure of InhA:01 TCR in complex with HLA-E (S147C) bound to InhA (53-61 H3C)
Descriptor: Beta-2-microglobulin, Enoyl-[acyl-carrier-protein] reductase [NADH], HLA class I histocompatibility antigen, ...
Authors:Srikannathasan, V, Karuppiah, V, Robinson, R.A.
Deposit date:2020-06-30
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition.
Eur.J.Immunol., 52, 2022
6ZKZ
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BU of 6zkz by Molmil
Crystal structure of InhA:01 TCR in complex with HLA-E (F116C) bound to InhA (53-61 H4C)
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
Authors:Srikannathasan, V, Karuppiah, V, Robinson, R.A.
Deposit date:2020-06-30
Release date:2022-01-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition.
Eur.J.Immunol., 52, 2022
6ZKW
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BU of 6zkw by Molmil
Crystal structure of InhA:01 TCR in complex with HLA-E bound to InhA (53-61)
Descriptor: Beta-2-microglobulin, Enoyl-[acyl-carrier-protein] reductase [NADH], HLA class I histocompatibility antigen, ...
Authors:Srikannathasan, V, Karuppiah, V, Robinson, R.A.
Deposit date:2020-06-30
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition.
Eur.J.Immunol., 52, 2022

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