5AOZ
 
 | | High resolution SeMet structure of the third cohesin from Ruminococcus flavefaciens scaffoldin protein, ScaB | | Descriptor: | GLYCEROL, PUTATIVE CELLULOSOMAL SCAFFOLDIN PROTEIN | | Authors: | Bule, P, Carvalho, A.L, Santos, H, Fontes, C.M.G.A, Najmudin, S. | | Deposit date: | 2015-09-14 | | Release date: | 2016-09-28 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Structural Characterization of the Third Cohesin from Ruminococcus Flavefaciens Scaffoldin Protein, Scab
To be Published
|
|
5B2D
 | | Crystal structure of Mumps virus hemagglutinin-neuraminidase bound to 3-sialyllactose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HN protein, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Kubota, M, Takeuchi, K, Watanabe, S, Ohno, S, Matsuoka, R, Kohda, D, Hiramatsu, H, Suzuki, Y, Nakayama, T, Terada, T, Shimizu, K, Shimizu, N, Yanagi, Y, Hashiguchi, T. | | Deposit date: | 2016-01-14 | | Release date: | 2016-09-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.177 Å) | | Cite: | Trisaccharide containing alpha 2,3-linked sialic acid is a receptor for mumps virus
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
5B5Q
 | |
5BOQ
 | | Human insulin with intra-chain chemical crosslink between modified B24 and B29 | | Descriptor: | Insulin, SULFATE ION | | Authors: | Brzozowski, A.M, Turkenburg, J.P, Jiracek, J, Zakova, L. | | Deposit date: | 2015-05-27 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Rational steering of insulin binding specificity by intra-chain chemical crosslinking.
Sci Rep, 6, 2016
|
|
5BO4
 | | Structure of SOCS2:Elongin C:Elongin B from DMSO-treated crystals | | Descriptor: | Suppressor of cytokine signaling 2, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2 | | Authors: | Gadd, M.S, Bulatov, E, Ciulli, A. | | Deposit date: | 2015-05-27 | | Release date: | 2015-07-08 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Serendipitous SAD Solution for DMSO-Soaked SOCS2-ElonginC-ElonginB Crystals Using Covalently Incorporated Dimethylarsenic: Insights into Substrate Receptor Conformational Flexibility in Cullin RING Ligases.
Plos One, 10, 2015
|
|
5B2P
 | | Crystal structure of Francisella novicida Cas9 in complex with sgRNA and target DNA (TGA PAM) | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Hirano, H, Nishimasu, H, Nakane, T, Ishitani, R, Nureki, O. | | Deposit date: | 2016-02-01 | | Release date: | 2016-03-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and Engineering of Francisella novicida Cas9
Cell, 164, 2016
|
|
5BN8
 | |
5BRW
 | | Catalytic Improvement of an Artificial Metalloenzyme by Computational Design | | Descriptor: | ACETATE ION, Carbonic anhydrase 2, SULFATE ION, ... | | Authors: | Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R. | | Deposit date: | 2015-06-01 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design.
J.Am.Chem.Soc., 137, 2015
|
|
5BPN
 | |
5BRZ
 | | MAGE-A3 reactive TCR in complex with MAGE-A3 in HLA-A1 | | Descriptor: | Beta-2-microglobulin, GLU-VAL-ASP-PRO-ILE-GLY-HIS-LEU-TYR, HLA class I histocompatibility antigen, ... | | Authors: | Raman, M.C.C, Rizkallah, P.J, Simmons, R, Donnellan, Z, Dukes, J, Bossi, G, LeProvost, G, Mahon, T, Hickman, E, LomaX, M, Oates, J, Hassan, N, Vuidepot, A, Sami, M, Cole, D.K, Jakobsen, B.K. | | Deposit date: | 2015-06-01 | | Release date: | 2016-03-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Direct molecular mimicry enables off-target cardiovascular toxicity by an enhanced affinity TCR designed for cancer immunotherapy.
Sci Rep, 6, 2016
|
|
5BV5
 | | Structure of CYP119 with T213A and C317H mutations | | Descriptor: | 4-PHENYL-1H-IMIDAZOLE, Cytochrome P450 119, PHOSPHATE ION, ... | | Authors: | Buller, A.R, Heel, T, McIntosh, J.A, Arnold, F.H. | | Deposit date: | 2015-06-04 | | Release date: | 2016-02-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Adaptability Facilitates Histidine Heme Ligation in a Cytochrome P450.
J.Am.Chem.Soc., 137, 2015
|
|
5BN9
 | |
5BPQ
 | | Crystal structure of the cysteine-rich domain of human Frizzled 4 - Crystal Form II | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Frizzled-4 | | Authors: | Chang, T.-H, Hsieh, F.-L, Harlos, K, Jones, E.Y. | | Deposit date: | 2015-05-28 | | Release date: | 2015-07-01 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure and functional properties of Norrin mimic Wnt for signalling with Frizzled4, Lrp5/6, and proteoglycan.
Elife, 4, 2015
|
|
5BRU
 | | Catalytic Improvement of an Artificial Metalloenzyme by Computational Design | | Descriptor: | Carbonic anhydrase 2, SULFATE ION, ZINC ION, ... | | Authors: | Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R. | | Deposit date: | 2015-06-01 | | Release date: | 2015-06-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design.
J.Am.Chem.Soc., 137, 2015
|
|
5BV8
 | | G1324S mutation in von Willebrand Factor A1 domain | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, von Willebrand factor | | Authors: | Campbell, J.C, Kim, C, Tischer, A, Auton, M. | | Deposit date: | 2015-06-04 | | Release date: | 2015-12-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Mutational Constraints on Local Unfolding Inhibit the Rheological Adaptation of von Willebrand Factor.
J.Biol.Chem., 291, 2016
|
|
5BQC
 | | Crystal structure of Norrin in complex with the cysteine-rich domain of Frizzled 4 and sucrose octasulfate | | Descriptor: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-4, ... | | Authors: | Chang, T.-H, Hsieh, F.-L, Zebisch, M, Harlos, K, Jones, E.Y. | | Deposit date: | 2015-05-28 | | Release date: | 2015-07-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure and functional properties of Norrin mimic Wnt for signalling with Frizzled4, Lrp5/6, and proteoglycan.
Elife, 4, 2015
|
|
5BT0
 | | Switching GFP fluorescence using genetically encoded phenyl azide chemistry through two different non-native post-translational modifications routes at the same position. | | Descriptor: | Green fluorescent protein, SULFATE ION | | Authors: | Hartley, A.M, Worthy, H.L, Reddington, S.C, Rizkallah, P.J, Jones, D.D. | | Deposit date: | 2015-06-02 | | Release date: | 2016-07-13 | | Last modified: | 2017-05-10 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Molecular basis for functional switching of GFP by two disparate non-native post-translational modifications of a phenyl azide reaction handle.
Chem Sci, 7, 2016
|
|
5B8D
 | | Crystal structure of a low occupancy fragment candidate (N-(4-Methyl-1,3-thiazol-2-yl)propanamide) bound adjacent to the ubiquitin binding pocket of the HDAC6 zinc-finger domain | | Descriptor: | FORMIC ACID, Histone deacetylase 6, SODIUM ION, ... | | Authors: | Harding, R.J, Tempel, W, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, Ravichandran, M, Schapira, M, Bountra, C, Edwards, A.M, von Delft, F, Santhakumar, V, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-14 | | Release date: | 2016-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin.
J. Med. Chem., 60, 2017
|
|
5AP7
 | | Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, MONOPOLAR SPINDLE KINASE 1, ... | | Authors: | Gurden, M.D, Westwood, I.M, Faisal, A, Naud, S, Cheung, K.M, McAndrew, C, Wood, A, Schmitt, J, Boxall, K, Mak, G, Workman, P, Burke, R, Hoelder, S, Blagg, J, van Montfort, R, Linardopoulos, S. | | Deposit date: | 2015-09-14 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
Cancer Res., 75, 2015
|
|
5AQI
 | | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | | Descriptor: | ADENINE, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ... | | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | | Deposit date: | 2015-09-22 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
|
|
5AQK
 | | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ... | | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | | Deposit date: | 2015-09-22 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
|
|
5ANQ
 | | inhibitors of JumonjiC domain-containing histone demethylases | | Descriptor: | 2-{2-[(pyridin-3-ylmethyl)amino]pyrimidin-4-yl}pyridine-4-carboxylic acid, CHLORIDE ION, FE (II) ION, ... | | Authors: | Roatsch, M, Robaa, D, Pippel, M, Nettleship, J.E, Reddivari, Y, Bird, L.E, Hoffmann, I, Franz, H, Owens, R.J, Schuele, R, Flaig, R, Sippl, W, Jung, M. | | Deposit date: | 2015-09-07 | | Release date: | 2016-03-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Substituted 2-(2-Aminopyrimidin-4-Yl)Pyridine-4-Carboxylates as Potent Inhibitors of Jumonjic Domain-Containing Histone Demethylases.
Fut.Med.Chem., 8, 2016
|
|
5AP4
 | | Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile, ... | | Authors: | Gurden, M.D, Westwood, I.M, Faisal, A, Naud, S, Cheung, K.J, McAndrew, C, Wood, A, Schmitt, J, Boxall, K, Mak, G, Workman, P, Burke, R, Hoelder, S, Blagg, J, van Montfort, R.L.M, Linardopoulos, S. | | Deposit date: | 2015-09-14 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
Cancer Res., 75, 2015
|
|
5AQQ
 | | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 7-methylquinazolin-4-amine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... | | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | | Deposit date: | 2015-09-22 | | Release date: | 2016-10-05 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
|
|
5FW2
 | | Crystal structure of SpCas9 variant EQR bound to sgRNA and TGAG PAM target DNA | | Descriptor: | CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1, MAGNESIUM ION, NON-TARGET DNA STRAND, ... | | Authors: | Anders, C, Bargsten, K, Jinek, M. | | Deposit date: | 2016-02-11 | | Release date: | 2016-06-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.676 Å) | | Cite: | Structural Plasticity of Pam Recognition by Engineered Variants of the RNA-Guided Endonuclease Cas9.
Mol.Cell, 61, 2016
|
|
