4V1S
| Structure of the GH76 alpha-mannanase BT2949 from Bacteroides thetaiotaomicron | Descriptor: | ALPHA-1,6-MANNANASE, GLYCEROL | Authors: | Thompson, A.J, Cuskin, F, Spears, R.J, Dabin, J, Turkenburg, J.P, Gilbert, H.J, Davies, G.J. | Deposit date: | 2014-10-02 | Release date: | 2015-02-11 | Last modified: | 2015-02-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of the Gh76 Alpha-Mannanase Homolog, Bt2949, from the Gut Symbiont Bacteroides Thetaiotaomicron Acta Crystallogr.,Sect.D, 71, 2015
|
|
8SE6
| NKG2D complexed with inhibitor 36 | Descriptor: | N-[(1S)-2-(dimethylamino)-2-oxo-1-{3-[3-(2,2,2-trifluoroethyl)azetidin-1-yl]phenyl}ethyl]-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, NKG2-D type II integral membrane protein, TETRAETHYLENE GLYCOL, ... | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | Deposit date: | 2023-04-08 | Release date: | 2023-10-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Development of small molecule inhibitors of natural killer group 2D receptor (NKG2D). Bioorg.Med.Chem.Lett., 96, 2023
|
|
8EA6
| NKG2D complexed with inhibitor 3e | Descriptor: | N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, NKG2-D type II integral membrane protein | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | Deposit date: | 2022-08-28 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8EA5
| NKG2D complexed with inhibitor 1a | Descriptor: | (3S,5aS,8aR)-3-benzyl-6-[(3,5-dichlorophenyl)methyl]-1,4-dimethyloctahydropyrrolo[3,2-e][1,4]diazepine-2,5-dione, NKG2-D type II integral membrane protein, TRIETHYLENE GLYCOL | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | Deposit date: | 2022-08-28 | Release date: | 2023-05-03 | Last modified: | 2023-05-10 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8EA9
| NKG2D complexed with inhibitor 4d | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein, ... | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | Deposit date: | 2022-08-28 | Release date: | 2023-05-03 | Last modified: | 2023-05-10 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8EAA
| NKG2D complexed with inhibitor 4e | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-{(1S)-2-(dimethylamino)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxoethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, ... | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | Deposit date: | 2022-08-28 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8EA8
| NKG2D complexed with inhibitor 4a | Descriptor: | DI(HYDROXYETHYL)ETHER, N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein, ... | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | Deposit date: | 2022-08-28 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8EAB
| NKG2D complexed with inhibitor 4f | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[(1S)-2-oxo-1-[3-(trifluoromethyl)phenyl]-2-({4-[4-(trifluoromethyl)phenyl]pyridin-3-yl}amino)ethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | Deposit date: | 2022-08-28 | Release date: | 2023-05-03 | Last modified: | 2023-05-10 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8EA7
| NKG2D complexed with inhibitor 3g | Descriptor: | (4M)-N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-(1-methyl-1H-pyrazol-5-yl)-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, DI(HYDROXYETHYL)ETHER, NKG2-D type II integral membrane protein | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | Deposit date: | 2022-08-28 | Release date: | 2023-05-03 | Last modified: | 2023-05-10 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8SE5
| NKG2D complexed with inhibitor 14 | Descriptor: | DI(HYDROXYETHYL)ETHER, N-{(1S)-2-[(1R,5S,6S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, NKG2-D type II integral membrane protein, ... | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | Deposit date: | 2023-04-08 | Release date: | 2023-10-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Development of small molecule inhibitors of natural killer group 2D receptor (NKG2D). Bioorg.Med.Chem.Lett., 96, 2023
|
|
5JOW
| Bacteroides ovatus Xyloglucan PUL GH43A | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-reducing end alpha-L-arabinofuranosidase BoGH43A | Authors: | Thompson, A.J, Hemsworth, G.R, Stepper, J, Sobala, L.F, Coyle, T, Larsbrink, J, Spadiut, O, Stubbs, K.A, Brumer, H, Davies, G.J. | Deposit date: | 2016-05-03 | Release date: | 2016-08-10 | Last modified: | 2017-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural dissection of a complex Bacteroides ovatus gene locus conferring xyloglucan metabolism in the human gut. Open Biology, 6, 2016
|
|
5JOU
| Bacteroides ovatus Xyloglucan PUL GH31 | Descriptor: | 1,2-ETHANEDIOL, Alpha-xylosidase BoGH31A, NICKEL (II) ION | Authors: | Thompson, A.J, Hemsworth, G.R, Stepper, J, Sobala, L.F, Coyle, T, Larsbrink, J, Spadiut, O, Stubbs, K.A, Brumer, H, Davies, G.J. | Deposit date: | 2016-05-03 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural dissection of a complex Bacteroides ovatus gene locus conferring xyloglucan metabolism in the human gut. Open Biology, 6, 2016
|
|
5JOY
| Bacteroides ovatus Xyloglucan PUL GH43A in complex with AraLOG | Descriptor: | (Z)-L-Arabinonhydroximo-1,4-lactone, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Thompson, A.J, Hemsworth, G.R, Stepper, J, Sobala, L.F, Coyle, T, Larsbrink, J, Spadiut, O, Stubbs, K.A, Brumer, H, Davies, G.J. | Deposit date: | 2016-05-03 | Release date: | 2016-08-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural dissection of a complex Bacteroides ovatus gene locus conferring xyloglucan metabolism in the human gut. Open Biology, 6, 2016
|
|
5JOX
| Bacteroides ovatus Xyloglucan PUL GH43A in complex with AraDNJ | Descriptor: | 1,4-DIDEOXY-1,4-IMINO-L-ARABINITOL, Non-reducing end alpha-L-arabinofuranosidase BoGH43A | Authors: | Thompson, A.J, Hemsworth, G.R, Stepper, J, Sobala, L.F, Coyle, T, Larsbrink, J, Spadiut, O, Stubbs, K.A, Brumer, H, Davies, G.J. | Deposit date: | 2016-05-03 | Release date: | 2016-08-10 | Last modified: | 2017-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural dissection of a complex Bacteroides ovatus gene locus conferring xyloglucan metabolism in the human gut. Open Biology, 6, 2016
|
|
6ZJ6
| Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with cyclohexylmethyl-Glc-1,3-isofagomine | Descriptor: | 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ACETATE ION, ... | Authors: | Thompson, A.J, Sobala, L.F, Fernandes, P.Z, Hakki, Z, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J. | Deposit date: | 2020-06-27 | Release date: | 2020-11-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
8RGS
| Serial synchrotron in plate room temperature structure of Dye Type Peroxidase Aa | Descriptor: | Deferrochelatase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Thompson, A.J, Hough, M.A, Williams, L.J, Worrall, J.A.R, Sanchez-Weatherby, J, Mikolajek, H, Sandy, J. | Deposit date: | 2023-12-14 | Release date: | 2023-12-27 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Efficient in situ screening of and data collection from microcrystals in crystallization plates. Acta Crystallogr D Struct Biol, 80, 2024
|
|
8RGW
| Serial synchrotron in plate room temperature structure of Dye Type Peroxidase Aa, 12 drops merged | Descriptor: | Deferrochelatase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Thompson, A.J, Hough, M.A, Williams, L.J, Worrall, J.A.R, Sanchez-Weatherby, J, Mikolajek, H, Sandy, J. | Deposit date: | 2023-12-14 | Release date: | 2023-12-27 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Efficient in situ screening of and data collection from microcrystals in crystallization plates. Acta Crystallogr D Struct Biol, 80, 2024
|
|
8RGY
| Serial synchrotron in plate room temperature structure of Dye Type Peroxidase Aa, 8 drops merged | Descriptor: | Deferrochelatase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Thompson, A.J, Hough, M.A, Williams, L.J, Worrall, J.A.R, Sanchez-Weatherby, J, Mikolajek, H, Sandy, J. | Deposit date: | 2023-12-14 | Release date: | 2023-12-27 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Efficient in situ screening of and data collection from microcrystals in crystallization plates. Acta Crystallogr D Struct Biol, 80, 2024
|
|
8RGE
| Serial synchrotron in plate room temperature structure of Lysozyme. | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Thompson, A.J, Hough, M.A, Sanchez-Weatherby, J, Williams, L.J, Sandy, J, Worrall, J.A.R. | Deposit date: | 2023-12-13 | Release date: | 2023-12-27 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Efficient in situ screening of and data collection from microcrystals in crystallization plates. Acta Crystallogr D Struct Biol, 80, 2024
|
|
1TQL
| POLIOVIRUS POLYMERASE G1A MUTANT | Descriptor: | ACETIC ACID, RNA-directed RNA polymerase | Authors: | Thompson, A.A, Peersen, O.B. | Deposit date: | 2004-06-17 | Release date: | 2004-08-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for proteolysis-dependent activation of the poliovirus RNA-dependent RNA polymerase Embo J., 23, 2004
|
|
5JOV
| Bacteroides ovatus Xyloglucan PUL GH31 with bound 5FIdoF | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-fluoro-alpha-L-idopyranose, ... | Authors: | Thompson, A.J, Hemsworth, G.R, Stepper, J, Sobala, L.F, Coyle, T, Larsbrink, J, Spadiut, O, Stubbs, K.A, Brumer, H, Davies, G.J. | Deposit date: | 2016-05-03 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural dissection of a complex Bacteroides ovatus gene locus conferring xyloglucan metabolism in the human gut. Open Biology, 6, 2016
|
|
4V1R
| Structure of a selenomethionine derivative of the GH76 alpha- mannanase BT2949 Bacteroides thetaiotaomicron | Descriptor: | 1,2-ETHANEDIOL, ALPHA-1,6-MANNANASE, S,R MESO-TARTARIC ACID | Authors: | Thompson, A.J, Cuskin, F, Spears, R.J, Dabin, J, Turkenburg, J.P, Gilbert, H.J, Davies, G.J. | Deposit date: | 2014-10-02 | Release date: | 2015-02-11 | Last modified: | 2015-02-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the Gh76 Alpha-Mannanase Homolog, Bt2949, from the Gut Symbiont Bacteroides Thetaiotaomicron Acta Crystallogr.,Sect.D, 71, 2015
|
|
226D
| |
5AGD
| An inactive (D125N) variant of the catalytic domain, BcGH76, of Bacillus circulans Aman6 in complex with alpha-1,6-mannopentaose | Descriptor: | ALPHA-1,6-MANNANASE, alpha-D-mannopyranose, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose | Authors: | Thompson, A.J, Speciale, G, Iglesias-Fernandez, J, Hakki, Z, Belz, T, Cartmell, A, Spears, R.J, Chandler, E, Temple, M.J, Stepper, J, Gilbert, H.J, Rovira, C, Williams, S.J, Davies, G.J. | Deposit date: | 2015-01-29 | Release date: | 2015-03-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Evidence for a Boat Conformation at the Transition State of Gh76 Alpha-1,6-Mannanases- Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
6NNZ
| Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 4 | Descriptor: | ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, [(1R,2S)-2-(benzenecarbonyl)cyclopentyl]acetic acid, ... | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | Deposit date: | 2019-01-15 | Release date: | 2020-01-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 4 To Be Published
|
|