6E06
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![BU of 6e06 by Molmil](/molmil-images/mine/6e06) | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine triphosphate solved by precipitant-ligand exchange (crystals grown in citrate precipitant) | Descriptor: | ATP-dependent dethiobiotin synthetase BioD, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W. | Deposit date: | 2018-07-06 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Precipitant-ligand exchange technique reveals the ADP binding mode in Mycobacterium tuberculosis dethiobiotin synthetase. Acta Crystallogr D Struct Biol, 74, 2018
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6E05
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![BU of 6e05 by Molmil](/molmil-images/mine/6e05) | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine triphosphate solved by precipitant-ligand exchange (crystals grown in sulfate precipitant) | Descriptor: | ATP-dependent dethiobiotin synthetase BioD, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W. | Deposit date: | 2018-07-06 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Precipitant-ligand exchange technique reveals the ADP binding mode in Mycobacterium tuberculosis dethiobiotin synthetase. Acta Crystallogr D Struct Biol, 74, 2018
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5AGD
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![BU of 5agd by Molmil](/molmil-images/mine/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: | 2024-05-01 | 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
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4V1R
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![BU of 4v1r by Molmil](/molmil-images/mine/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
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4V1S
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![BU of 4v1s by Molmil](/molmil-images/mine/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: | 2024-05-01 | 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
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8VXD
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![BU of 8vxd by Molmil](/molmil-images/mine/8vxd) | |
8VXF
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![BU of 8vxf by Molmil](/molmil-images/mine/8vxf) | Structure of Casein kinase I isoform delta (CK1d) complexed with inhibitor 15 | Descriptor: | (2P,3P,8S)-2-(5-fluoropyridin-2-yl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine, Casein kinase I isoform delta | Authors: | Thompson, A.A, Milligan, C.M, Sharma, S. | Deposit date: | 2024-02-04 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions. Acs Med.Chem.Lett., 15, 2024
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5JOW
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![BU of 5jow by Molmil](/molmil-images/mine/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: | 2024-05-01 | 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
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5JOU
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![BU of 5jou by Molmil](/molmil-images/mine/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
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5JOY
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![BU of 5joy by Molmil](/molmil-images/mine/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: | 2024-05-01 | 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
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5JOX
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![BU of 5jox by Molmil](/molmil-images/mine/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: | 2024-05-01 | 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
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5JOV
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![BU of 5jov by Molmil](/molmil-images/mine/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
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6ZJ6
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![BU of 6zj6 by Molmil](/molmil-images/mine/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
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1RA6
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![BU of 1ra6 by Molmil](/molmil-images/mine/1ra6) | |
1TQL
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![BU of 1tql by Molmil](/molmil-images/mine/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
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6CZD
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![BU of 6czd by Molmil](/molmil-images/mine/6czd) | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with adenosine diphosphate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent dethiobiotin synthetase BioD, MAGNESIUM ION | Authors: | Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W. | Deposit date: | 2018-04-09 | Release date: | 2018-10-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Precipitant-ligand exchange technique reveals the ADP binding mode in Mycobacterium tuberculosis dethiobiotin synthetase. Acta Crystallogr D Struct Biol, 74, 2018
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1RA7
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![BU of 1ra7 by Molmil](/molmil-images/mine/1ra7) | Poliovirus Polymerase with GTP | Descriptor: | ACETIC ACID, GUANOSINE-5'-TRIPHOSPHATE, Genome polyprotein | Authors: | Thompson, A.A, Peersen, O.B. | Deposit date: | 2003-10-31 | Release date: | 2004-08-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural basis for proteolysis-dependent activation of the poliovirus RNA-dependent RNA polymerase. Embo J., 23, 2004
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8SE6
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![BU of 8se6 by Molmil](/molmil-images/mine/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
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8SE5
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![BU of 8se5 by Molmil](/molmil-images/mine/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
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3K3Q
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![BU of 3k3q by Molmil](/molmil-images/mine/3k3q) | Crystal Structure of a Llama Antibody complexed with the C. Botulinum Neurotoxin Serotype A Catalytic Domain | Descriptor: | Botulinum neurotoxin type A, ZINC ION, llama Aa1 VHH domain | Authors: | Thompson, A.A, Dong, J, Marks, J.D, Stevens, R.C. | Deposit date: | 2009-10-04 | Release date: | 2010-02-23 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A Single-Domain Llama Antibody Potently Inhibits the Enzymatic Activity of Botulinum Neurotoxin by Binding to the Non-Catalytic alpha-Exosite Binding Region. J.Mol.Biol., 397, 2010
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1RAJ
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![BU of 1raj by Molmil](/molmil-images/mine/1raj) | |
3QIY
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![BU of 3qiy by Molmil](/molmil-images/mine/3qiy) | Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-1 | Descriptor: | 1,2-ETHANEDIOL, 4-[bis(4-chlorobenzyl)amino]-N-hydroxybutanamide, Botulinum neurotoxin type A, ... | Authors: | Thompson, A.A, Han, G.W, Stevens, R.C. | Deposit date: | 2011-01-28 | Release date: | 2011-04-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility. Biochemistry, 50, 2011
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3QJ0
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![BU of 3qj0 by Molmil](/molmil-images/mine/3qj0) | Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-3 | Descriptor: | (4R)-4-(4-chlorophenoxy)-1-[(4-chlorophenyl)sulfonyl]-N-hydroxy-L-prolinamide, 1,2-ETHANEDIOL, Botulinum neurotoxin type A, ... | Authors: | Thompson, A.A, Han, G.W, Stevens, R.C. | Deposit date: | 2011-01-28 | Release date: | 2011-04-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility. Biochemistry, 50, 2011
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3QIZ
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![BU of 3qiz by Molmil](/molmil-images/mine/3qiz) | Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-2 | Descriptor: | (2S,4R)-2-(2-{[3-(4-fluoro-3-methylphenyl)propyl](methyl)amino}ethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide, Botulinum neurotoxin type A, DI(HYDROXYETHYL)ETHER, ... | Authors: | Thompson, A.A, Han, G.W, Stevens, R.C. | Deposit date: | 2011-01-28 | Release date: | 2011-04-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility. Biochemistry, 50, 2011
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226D
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![BU of 226d by Molmil](/molmil-images/mine/226d) | |