5UMI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5umi by Molmil](/molmil-images/mine/5umi) | Clostridium difficile TcdA-CROPs bound to PA50 Fab | Descriptor: | PA50 Fab Heavy chain, PA50 Fab Light chain, Toxin A | Authors: | Kroh, H.K, Chandrasekaran, R, Rosenthal, K, Woods, R, Jin, X, Ohi, M.D, Nyborg, A.C, Rainey, G.J, Warrener, P, Spiller, B.W, Lacy, D.B. | Deposit date: | 2017-01-27 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.23 Å) | Cite: | Use of a neutralizing antibody helps identify structural features critical for binding of Clostridium difficile toxin TcdA to the host cell surface. J. Biol. Chem., 292, 2017
|
|
5L7V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5l7v by Molmil](/molmil-images/mine/5l7v) | Crystal Structure of BvGH123 with bond transition state analog Galthiazoline. | Descriptor: | (3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, glycoside hydrolase | Authors: | Roth, C, Petricevic, M, John, A, Goddard-Borger, E.D, Davies, G.J, Williams, S.J. | Deposit date: | 2016-06-03 | Release date: | 2017-03-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and mechanistic insights into a Bacteroides vulgatus retaining N-acetyl-beta-galactosaminidase that uses neighbouring group participation. Chem. Commun. (Camb.), 52, 2016
|
|
5L44
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5l44 by Molmil](/molmil-images/mine/5l44) | Structure of K-26-DCP in complex with the K-26 tripeptide | Descriptor: | K-26 dipeptidyl carboxypeptidase, MAGNESIUM ION, N-ACETYL-L-ILE-L-TYR-(R)-1-AMINO-2-(4-HYDROXYPHENYL)ETHYLPHOSPHONIC ACID, ... | Authors: | Masuyer, G, Acharya, K.R, Kramer, G.J, Bachmann, B.O. | Deposit date: | 2016-05-24 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of a peptidyl-dipeptidase K-26-DCP from Actinomycete in complex with its natural inhibitor. FEBS J., 283, 2016
|
|
5LA7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5la7 by Molmil](/molmil-images/mine/5la7) | Crystal structure of human proheparanase, in complex with glucuronic acid configured aziridine probe JJB355 | Descriptor: | (1~{S},2~{R},3~{S},4~{S},5~{S},6~{R})-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wu, L, Jin, Y, Davies, G.J. | Deposit date: | 2016-06-13 | Release date: | 2017-05-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Activity-based probes for functional interrogation of retaining beta-glucuronidases. Nat. Chem. Biol., 13, 2017
|
|
5URW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5urw by Molmil](/molmil-images/mine/5urw) | |
5UYO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uyo by Molmil](/molmil-images/mine/5uyo) | Solution NMR structure of the de novo mini protein HEEH_rd4_0097 | Descriptor: | HEEH_rd4_0097 | Authors: | Lemak, A, Rocklin, G.J, Houliston, S, Carter, L, Chidyausiku, T.M, Baker, D, Arrowsmith, C.H. | Deposit date: | 2017-02-24 | Release date: | 2017-07-26 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Global analysis of protein folding using massively parallel design, synthesis, and testing. Science, 357, 2017
|
|
5TZ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tz7 by Molmil](/molmil-images/mine/5tz7) | |
5JCA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jca by Molmil](/molmil-images/mine/5jca) | NADP(H) bound NADH-dependent Ferredoxin:NADP Oxidoreductase (NfnI) from Pyrococcus furiosus | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Zadvornyy, O.A, Schut, G.J, Nguyen, D.M, Artz, J.H, Tokmina-Lukaszewska, M, Lipscomb, G, Adams, M.W, Peters, J.W. | Deposit date: | 2016-04-14 | Release date: | 2017-04-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mechanistic insights into energy conservation by flavin-based electron bifurcation. Nat. Chem. Biol., 13, 2017
|
|
5UP5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5up5 by Molmil](/molmil-images/mine/5up5) | Solution structure of the de novo mini protein EHEE_rd1_0284 | Descriptor: | EHEE_rd1_0284 | Authors: | Houliston, S, Rocklin, G.J, Lemak, A, Carter, L, Chidyausiku, T.M, Baker, D, Arrowsmith, C.H. | Deposit date: | 2017-02-01 | Release date: | 2017-07-26 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Global analysis of protein folding using massively parallel design, synthesis, and testing. Science, 357, 2017
|
|
5I5R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i5r by Molmil](/molmil-images/mine/5i5r) | Crystal structure of a bacterial fucosidase with iminocyclitol (2S,3S,4R,5S)-3,4-dihydroxy-2-ethynyl-5-methylpyrrolidine | Descriptor: | (2S,3S,4R,5S,2'S,3'S,4'R,5'S)-2,2'-(butane-1,4-diyl)bis(5-methylpyrrolidine-3,4-diol), Alpha-L-fucosidase, IMIDAZOLE, ... | Authors: | Wright, D.W, Davies, G.J. | Deposit date: | 2016-02-15 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Will be disclosed later To Be Published
|
|
5IFM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ifm by Molmil](/molmil-images/mine/5ifm) | Human NONO (p54nrb) Homodimer | Descriptor: | CHLORIDE ION, GLYCEROL, Non-POU domain-containing octamer-binding protein, ... | Authors: | Knott, G.J, Bond, C.S. | Deposit date: | 2016-02-26 | Release date: | 2016-11-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A crystallographic study of human NONO (p54(nrb)): overcoming pathological problems with purification, data collection and noncrystallographic symmetry. Acta Crystallogr D Struct Biol, 72, 2016
|
|
5JP0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jp0 by Molmil](/molmil-images/mine/5jp0) | Bacteroides ovatus Xyloglucan PUL GH3B with bound glucose | Descriptor: | Beta-glucosidase BoGH3B, MAGNESIUM ION, beta-D-glucopyranose | Authors: | Hemsworth, G.R, Thompson, A.J, 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 (2.3 Å) | Cite: | Structural dissection of a complex Bacteroides ovatus gene locus conferring xyloglucan metabolism in the human gut. Open Biology, 6, 2016
|
|
5JOU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5L77
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5l77 by Molmil](/molmil-images/mine/5l77) | A glycoside hydrolase mutant with an unreacted activity based probe bound | Descriptor: | (1~{R},2~{S},3~{R},4~{S},5~{S},6~{R})-7-[8-[(azanylidene-{4}-azanylidene)amino]octyl]-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Jin, Y, Wu, L, Jiang, J.B, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2016-06-02 | Release date: | 2017-05-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Activity-based probes for functional interrogation of retaining beta-glucuronidases. Nat. Chem. Biol., 13, 2017
|
|
5TYK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tyk by Molmil](/molmil-images/mine/5tyk) | |
5L9Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5l9y by Molmil](/molmil-images/mine/5l9y) | Crystal structure of human heparanase, in complex with glucuronic acid configured aziridine probe JJB355 | Descriptor: | (1~{S},2~{R},3~{S},4~{S},5~{S},6~{R})-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wu, L, Jin, Y, Davies, G.J. | Deposit date: | 2016-06-13 | Release date: | 2017-05-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Activity-based probes for functional interrogation of retaining beta-glucuronidases. Nat. Chem. Biol., 13, 2017
|
|
5TZ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tz6 by Molmil](/molmil-images/mine/5tz6) | |
5VJ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vj7 by Molmil](/molmil-images/mine/5vj7) | Ferredoxin NADP Oxidoreductase (Xfn) | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin-NADP(+) reductase subunit alpha, ... | Authors: | Zadvornyy, O.A, Nguyen, D.M.N, Schut, G.J, Lipscomb, G.L, Tokmina-Lukaszewska, M, Adams, M.W.W, Peters, J.W. | Deposit date: | 2017-04-18 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Two functionally distinct NADP(+)-dependent ferredoxin oxidoreductases maintain the primary redox balance of Pyrococcus furiosus. J. Biol. Chem., 292, 2017
|
|
5VGB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vgb by Molmil](/molmil-images/mine/5vgb) | Crystal structure of NmeCas9 HNH domain bound to anti-CRISPR AcrIIC1 | Descriptor: | Anti-CRISPR protein (AcrIIC1), CRISPR-associated endonuclease Cas9, GLYCEROL, ... | Authors: | Harrington, L.B, Doxzen, K.W, Ma, E, Knott, G.J, Kranzusch, P.J, Doudna, J.A. | Deposit date: | 2017-04-10 | Release date: | 2017-08-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.497 Å) | Cite: | A Broad-Spectrum Inhibitor of CRISPR-Cas9. Cell, 170, 2017
|
|
5V8E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v8e by Molmil](/molmil-images/mine/5v8e) | Structure of Bacillus cereus PatB1 | Descriptor: | Bacillus cereus PatB1, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sychantha, D, Little, D.J, Chapman, R.N, Boons, G.J, Robinson, H, Howell, P.L, Clarke, A.J. | Deposit date: | 2017-03-21 | Release date: | 2017-10-18 | Last modified: | 2017-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | PatB1 is an O-acetyltransferase that decorates secondary cell wall polysaccharides. Nat. Chem. Biol., 14, 2018
|
|
5LA4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5la4 by Molmil](/molmil-images/mine/5la4) | Crystal structure of apo human proheparanase | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Heparanase, ... | Authors: | Wu, L, Jin, Y, Davies, G.J. | Deposit date: | 2016-06-13 | Release date: | 2017-05-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Activity-based probes for functional interrogation of retaining beta-glucuronidases. Nat. Chem. Biol., 13, 2017
|
|
5UP1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5up1 by Molmil](/molmil-images/mine/5up1) | Solution structure of the de novo mini protein EEHEE_rd3_1049 | Descriptor: | EEHEE_rd3_1049 | Authors: | Houliston, S, Rocklin, G.J, Lemak, A, Carter, L, Chidyausiku, T.M, Baker, D, Arrowsmith, C.H. | Deposit date: | 2017-02-01 | Release date: | 2017-07-26 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Global analysis of protein folding using massively parallel design, synthesis, and testing. Science, 357, 2017
|
|
5L7U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5l7u by Molmil](/molmil-images/mine/5l7u) | Crystal structure of BvGH123 with bound GalNAc | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, CHLORIDE ION, Glycoside hydrolase | Authors: | Roth, C, Petricevic, M, John, A, Goddard-Borger, E.D, Davies, G.J, Williams, S.J. | Deposit date: | 2016-06-03 | Release date: | 2017-03-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and mechanistic insights into a Bacteroides vulgatus retaining N-acetyl-beta-galactosaminidase that uses neighbouring group participation. Chem. Commun. (Camb.), 52, 2016
|
|
5SSF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ssf by Molmil](/molmil-images/mine/5ssf) | |
5SS0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ss0 by Molmil](/molmil-images/mine/5ss0) | |