4H9T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4h9t by Molmil](/molmil-images/mine/4h9t) | Structure of Geobacillus kaustophilus lactonase, mutant E101N with bound N-butyryl-DL-homoserine lactone | Descriptor: | FE (III) ION, MANGANESE (II) ION, N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide, ... | Authors: | Xue, B, Chow, J.Y, Yew, W.S, Robinson, R.C. | Deposit date: | 2012-09-24 | Release date: | 2012-11-07 | Last modified: | 2013-05-22 | Method: | X-RAY DIFFRACTION (2.097 Å) | Cite: | Structural evidence of a productive active site architecture for an evolved quorum-quenching GKL lactonase. Biochemistry, 52, 2013
|
|
4HBV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hbv by Molmil](/molmil-images/mine/4hbv) | Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolin ligand | Descriptor: | 1,2-ETHANEDIOL, 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2012-09-28 | Release date: | 2012-10-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit. J.Med.Chem., 55, 2012
|
|
4HAQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4haq by Molmil](/molmil-images/mine/4haq) | Crystal Structure of a GH7 family cellobiohydrolase from Limnoria quadripunctata in complex with cellobiose and cellotriose | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GH7 family protein, ... | Authors: | Martin, R.N.A, McGeehan, J.E, Streeter, S.D, Cragg, S.M, Guille, M.J, Schnorr, K.M, Kern, M, Bruce, N.C, McQueen-Mason, S.J. | Deposit date: | 2012-09-27 | Release date: | 2013-06-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural characterization of a unique marine animal family 7 cellobiohydrolase suggests a mechanism of cellulase salt tolerance Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4GPJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gpj by Molmil](/molmil-images/mine/4gpj) | Crystal Structure of the first bromodomain of human BRD4 in complex with a isoxazolylbenzimidazole ligand | Descriptor: | (1R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1H-inden-1-ol, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | Authors: | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Heightman, T.D, Brennan, P, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2012-08-21 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The design and synthesis of 5- and 6-isoxazolylbenzimidazoles as selective inhibitors of the BET bromodomains. Medchemcomm, 4, 2013
|
|
4HBW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hbw by Molmil](/molmil-images/mine/4hbw) | Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazoline ligand | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-ethyl-3-methyl-2-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide, ... | Authors: | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2012-09-28 | Release date: | 2012-10-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit. J.Med.Chem., 55, 2012
|
|
4GUN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gun by Molmil](/molmil-images/mine/4gun) | |
4GWA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gwa by Molmil](/molmil-images/mine/4gwa) | Crystal Structure of a GH7 Family Cellobiohydrolase from Limnoria quadripunctata | Descriptor: | GH7 family protein, MAGNESIUM ION | Authors: | McGeehan, J.E, Martin, R.N.A, Streeter, S.D, Cragg, S.M, Guille, M.J, Schnorr, K.M, Kern, M, Bruce, N.C, McQueen-Mason, S.J. | Deposit date: | 2012-09-01 | Release date: | 2013-06-12 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural characterization of a unique marine animal family 7 cellobiohydrolase suggests a mechanism of cellulase salt tolerance Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4HXM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hxm by Molmil](/molmil-images/mine/4hxm) | Brd4 Bromodomain 1 complex with N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}BUTANAMIDE inhibitor | Descriptor: | Bromodomain-containing protein 4, N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | Deposit date: | 2012-11-12 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
|
|
4HZ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hz7 by Molmil](/molmil-images/mine/4hz7) | Crystal structure of BglB with glucose | Descriptor: | beta-D-glucopyranose, beta-glucosidase | Authors: | Hwang, K.Y, Nam, K.H. | Deposit date: | 2012-11-14 | Release date: | 2012-12-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insights into the substrate recognition properties of beta-glucosidase. Biochem.Biophys.Res.Commun., 391, 2010
|
|
4HXL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hxl by Molmil](/molmil-images/mine/4hxl) | Brd4 Bromodomain 1 complex with 3-CYCLOHEXYL-N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}PROPANAMIDE inhibitor | Descriptor: | 3-cyclohexyl-N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}propanamide, Bromodomain-containing protein 4 | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | Deposit date: | 2012-11-12 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
|
|
4I7A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i7a by Molmil](/molmil-images/mine/4i7a) | GrpN pentameric microcompartment shell protein from Rhodospirillum rubrum | Descriptor: | CHLORIDE ION, Ethanolamine utilization protein EutN/carboxysome structural protein Ccml | Authors: | Wheatley, N.M, Gidaniyan, S.D, Cascio, D, Yeates, T.O. | Deposit date: | 2012-11-30 | Release date: | 2013-05-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Bacterial microcompartment shells of diverse functional types possess pentameric vertex proteins. Protein Sci., 22, 2013
|
|
4HZ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hz6 by Molmil](/molmil-images/mine/4hz6) | crystal structure of BglB | Descriptor: | Beta-glucosidase, GLYCEROL | Authors: | Hwang, K.Y, Nam, K.H. | Deposit date: | 2012-11-14 | Release date: | 2012-12-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural insights into the substrate recognition properties of beta-glucosidase. Biochem.Biophys.Res.Commun., 391, 2010
|
|
4JFE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jfe by Molmil](/molmil-images/mine/4jfe) | Preservation of peptide specificity during TCR-MHC contact dominated affinity enhancement of a melanoma-specific TCR | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | Authors: | Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K. | Deposit date: | 2013-02-28 | Release date: | 2013-05-29 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | T-cell receptor specificity maintained by altered thermodynamics. J.Biol.Chem., 288, 2013
|
|
4K20
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k20 by Molmil](/molmil-images/mine/4k20) | Crystal structure of Canavalia boliviana lectin | Descriptor: | CALCIUM ION, Canavalia boliviana lectin, MANGANESE (II) ION | Authors: | Viertlmayr, R, Bezerra, G.A, Moura, T.R, Delatorre, P, Rocha, B.A.M, Cavada, B.S, Gruber, K. | Deposit date: | 2013-04-07 | Release date: | 2014-04-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural Studies of an Anti-Inflammatory Lectin from Canavalia boliviana Seeds in Complex with Dimannosides. Plos One, 9, 2014
|
|
4K2K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k2k by Molmil](/molmil-images/mine/4k2k) | Crystal structure of Staphylococcal nuclease variant Delta+PHS L25A/L36A/I92A at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2013-04-09 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Pressure effects on proteins To be Published
|
|
4GX7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gx7 by Molmil](/molmil-images/mine/4gx7) | |
4H9X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4h9x by Molmil](/molmil-images/mine/4h9x) | Structure of Geobacillus kaustophilus lactonase, mutant E101G/R230C/D266N with Zn2+ and bound N-butyryl-DL-homoserine lactone | Descriptor: | FE (III) ION, HYDROXIDE ION, N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide, ... | Authors: | Xue, B, Chow, J.Y, Yew, W.S, Robinson, R.C. | Deposit date: | 2012-09-25 | Release date: | 2012-11-07 | Last modified: | 2013-05-22 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Structural evidence of a productive active site architecture for an evolved quorum-quenching GKL lactonase. Biochemistry, 52, 2013
|
|
4H1U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4h1u by Molmil](/molmil-images/mine/4h1u) | Nucleotide-free human dynamin-1-like protein GTPase-GED fusion | Descriptor: | CITRATE ANION, Dynamin-1-like protein | Authors: | Wenger, J, Klinglmayr, E, Puehringer, S, Goettig, P. | Deposit date: | 2012-09-11 | Release date: | 2013-08-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Functional Mapping of Human Dynamin-1-Like GTPase Domain Based on X-ray Structure Analyses. Plos One, 8, 2013
|
|
4K1Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k1z by Molmil](/molmil-images/mine/4k1z) | Crystal structure of Canavalia boliviana lectin in complex with Man1-4Man-OMe | Descriptor: | CADMIUM ION, CALCIUM ION, CHLORIDE ION, ... | Authors: | Bezerra, G.A, Viertlmayr, R, Moura, T.R, Delatorre, P, Rocha, B.A.M, Cavada, B.S, Gruber, K. | Deposit date: | 2013-04-07 | Release date: | 2014-04-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Studies of an Anti-Inflammatory Lectin from Canavalia boliviana Seeds in Complex with Dimannosides. Plos One, 9, 2014
|
|
4JZJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jzj by Molmil](/molmil-images/mine/4jzj) | Crystal Structure of Receptor-Fab Complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab Heavy Chain, Fab Light Chain, ... | Authors: | Broughton, S.E, Parker, M.W. | Deposit date: | 2013-04-03 | Release date: | 2014-04-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Dual mechanism of interleukin-3 receptor blockade by an anti-cancer antibody Cell Rep, 8, 2014
|
|
4KAG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kag by Molmil](/molmil-images/mine/4kag) | Crystal structure analysis of a single amino acid deletion mutation in EGFP | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Green fluorescent protein, ... | Authors: | Arpino, J.A.J, Rizkallah, P.J. | Deposit date: | 2013-04-22 | Release date: | 2014-08-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Structural and dynamic changes associated with beneficial engineered single-amino-acid deletion mutations in enhanced green fluorescent protein. Acta Crystallogr.,Sect.D, 70, 2014
|
|
4H9Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4h9y by Molmil](/molmil-images/mine/4h9y) | Structure of Geobacillus kaustophilus lactonase, mutant E101N with Zn2+ | Descriptor: | FE (III) ION, HYDROXIDE ION, Phosphotriesterase, ... | Authors: | Xue, B, Chow, J.Y, Yew, W.S, Robinson, R.C. | Deposit date: | 2012-09-25 | Release date: | 2012-11-07 | Last modified: | 2013-05-22 | Method: | X-RAY DIFFRACTION (2.085 Å) | Cite: | Structural evidence of a productive active site architecture for an evolved quorum-quenching GKL lactonase. Biochemistry, 52, 2013
|
|
4H1V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4h1v by Molmil](/molmil-images/mine/4h1v) | GMP-PNP bound dynamin-1-like protein GTPase-GED fusion | Descriptor: | Dynamin-1-like protein, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Wenger, J, Klinglmayr, E, Eibl, C, Hessenberger, M, Goettig, P. | Deposit date: | 2012-09-11 | Release date: | 2013-08-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Functional Mapping of Human Dynamin-1-Like GTPase Domain Based on X-ray Structure Analyses. Plos One, 8, 2013
|
|
4H7M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4h7m by Molmil](/molmil-images/mine/4h7m) | |
4H9Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4h9z by Molmil](/molmil-images/mine/4h9z) | Structure of Geobacillus kaustophilus lactonase, mutant E101N with Mn2+ | Descriptor: | FE (III) ION, MANGANESE (II) ION, Phosphotriesterase | Authors: | Xue, B, Chow, J.Y, Yew, W.S, Robinson, R.C. | Deposit date: | 2012-09-25 | Release date: | 2012-11-07 | Last modified: | 2013-05-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural evidence of a productive active site architecture for an evolved quorum-quenching GKL lactonase. Biochemistry, 52, 2013
|
|