6ZSQ
 
 | | Crystal structure of the Cisplatin beta-Lactoglobulin adduct formed after 18 h of soaking | | Descriptor: | AMMONIA, Beta-lactoglobulin, PLATINUM (II) ION, ... | | Authors: | Balasco, N, Ferraro, G, Merlino, A. | | Deposit date: | 2020-07-16 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.004 Å) | | Cite: | Cisplatin binding to beta-lactoglobulin: a structural study.
Dalton Trans, 49, 2020
|
|
5NKC
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2h | | Descriptor: | (3~{S})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, Ephrin type-A receptor 2 | | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | Deposit date: | 2017-03-31 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.448 Å) | | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
|
|
5NLA
 | |
6ZSR
 | | Crystal structure of the Cisplatin beta-Lactoglobulin adduct formed after 72 h of soaking | | Descriptor: | AMMONIA, Beta-lactoglobulin, PLATINUM (II) ION, ... | | Authors: | Balasco, N, Ferraro, G, Merlino, A. | | Deposit date: | 2020-07-16 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.005 Å) | | Cite: | Cisplatin binding to beta-lactoglobulin: a structural study.
Dalton Trans, 49, 2020
|
|
6TMQ
 | | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | | Descriptor: | DIMETHYL SULFOXIDE, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [2,4-bis(oxidanyl)phenyl]-[(1~{S})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone, ... | | Authors: | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | | Deposit date: | 2019-12-05 | | Release date: | 2020-10-14 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.112 Å) | | Cite: | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
Commun Chem, 2020
|
|
5NLJ
 | | Crystal structure of Zn3-E16V human ubiquitin (hUb) mutant adduct, from a solution 70 mM zinc acetate/20% v/v TFE/1.3 mM E16V hUb | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Fermani, S, Falini, G. | | Deposit date: | 2017-04-04 | | Release date: | 2017-04-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Aggregation Pathways of Native-Like Ubiquitin Promoted by Single-Point Mutation, Metal Ion Concentration, and Dielectric Constant of the Medium.
Chemistry, 24, 2018
|
|
6TOZ
 | | Crystal structure of Bacillus paralicheniformis alpha-amylase in complex with acarbose | | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ACETIC ACID, Amylase, ... | | Authors: | Rozeboom, H.J, Janssen, D.B. | | Deposit date: | 2019-12-12 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Characterization of the starch surface binding site on Bacillus paralicheniformis alpha-amylase.
Int.J.Biol.Macromol., 165, 2020
|
|
6TPR
 | | PqsR (MvfR) bound to inhibitory compound 40 | | Descriptor: | 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-~{N}-(4-pyridin-2-yloxyphenyl)ethanamide, Transcriptional regulator MvfR | | Authors: | Richardson, W.K, Emsley, J. | | Deposit date: | 2019-12-14 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Hit Identification of New Potent PqsR Antagonists as Inhibitors of Quorum Sensing in Planktonic and Biofilm GrownPseudomonas aeruginosa.
Front Chem, 8, 2020
|
|
5NM7
 | | Crystal structure of Burkholderia AP3 phage endolysin | | Descriptor: | GLYCINE, Peptidoglycan-binding domain 1, TRIETHYLENE GLYCOL | | Authors: | Zrubek, K, Wisniewska, M, Rembacz, K, Maciejewska, B, Drulis-Kawa, Z, Dubin, G. | | Deposit date: | 2017-04-05 | | Release date: | 2018-02-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Modular endolysin of Burkholderia AP3 phage has the largest lysozyme-like catalytic subunit discovered to date and no catalytic aspartate residue.
Sci Rep, 7, 2017
|
|
6ZUM
 | | Crystal structure of dimethylated RSL-N23H (RSL-B3) in complex with cucurbit[7]uril and zinc | | Descriptor: | ACETATE ION, Fucose-binding lectin protein, SODIUM ION, ... | | Authors: | Guagnini, F, Engilberge, S, Flood, R.J, Ramberg, K.O, Crowley, P.B. | | Deposit date: | 2020-07-23 | | Release date: | 2020-11-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.589 Å) | | Cite: | Metal-Mediated Protein-Cucurbituril Crystalline Architectures
Cryst.Growth Des., 2020
|
|
5NMD
 | | 868 TCR Specific for HLA A02 presenting HIV Epitope SLYNTVATL | | Descriptor: | 1,2-ETHANEDIOL, Human T-cell Receptor, beta chain, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | | Deposit date: | 2017-04-05 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Dual Molecular Mechanisms Govern Escape at Immunodominant HLA A2-Restricted HIV Epitope.
Front Immunol, 8, 2017
|
|
5NMU
 | | Structure of hexameric CBS-CP12 protein from bloom-forming cyanobacteria | | Descriptor: | CBS-CP12, CHLORIDE ION | | Authors: | Hackenberg, C, Hakanpaa, J, Antonyuk, S.V, Dittmann, E, Lamzin, V.S. | | Deposit date: | 2017-04-07 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural and functional insights into the unique CBS-CP12 fusion protein family in cyanobacteria.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6TQS
 | | The crystal structure of the MSP domain of human MOSPD2 in complex with the conventional FFAT motif of ORP1. | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | McEwen, A.G, Poussin-Courmontagne, P, Di Mattia, T, Wendling, C, Cavarelli, J, Tomasetto, C, Alpy, F. | | Deposit date: | 2019-12-17 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | FFAT motif phosphorylation controls formation and lipid transfer function of inter-organelle contacts.
Embo J., 39, 2020
|
|
5NNZ
 | | Crystal structure of human ODA16 | | Descriptor: | Dynein assembly factor with WDR repeat domains 1 | | Authors: | Lorentzen, E, Taschner, T, Basquin, J. | | Deposit date: | 2017-04-10 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.651 Å) | | Cite: | Purification and crystal structure of human ODA16: Implications for ciliary import of outer dynein arms by the intraflagellar transport machinery.
Protein Sci., 29, 2020
|
|
5NLY
 | | Brag2 Sec7-PH (390-763), P212121 | | Descriptor: | IQ motif and SEC7 domain-containing protein 1, PHOSPHATE ION | | Authors: | Nawrotek, A, Cherfils, J. | | Deposit date: | 2017-04-05 | | Release date: | 2017-09-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Multiple interactions between an Arf/GEF complex and charged lipids determine activation kinetics on the membrane.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5NO6
 | | TEAD4-HOXB13 complex bound to DNA | | Descriptor: | DNA, Homeobox protein Hox-B13, Transcriptional enhancer factor TEF-3 | | Authors: | Morgunova, E, Jolma, A, Yin, Y, Popov, A, Taipale, J. | | Deposit date: | 2017-04-11 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | TEAD4-HOXB13 complex bound to DNA
To Be Published
|
|
5NOA
 | | Polysaccharide Lyase BACCELL_00875 | | Descriptor: | Family 88 glycosyl hydrolase | | Authors: | Cartmell, A, Munoz-Munoz, J, Terrapon, N, Basle, A, Henrissat, B, Gilbert, H.J. | | Deposit date: | 2017-04-11 | | Release date: | 2017-06-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | An evolutionarily distinct family of polysaccharide lyases removes rhamnose capping of complex arabinogalactan proteins.
J. Biol. Chem., 292, 2017
|
|
6ZYP
 | | Structure of NDM-1 with 2-Mercaptomethyl-thiazolidine L-anti-1b | | Descriptor: | (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ... | | Authors: | Hinchliffe, P, Spencer, J. | | Deposit date: | 2020-08-02 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | 2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
|
|
5NOK
 | | Polysaccharide Lyase BACCELL_00875 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BACCELL_00875 | | Authors: | Cartmell, A, Munoz-Munoz, J, Terrapon, N, Basle, A, Henrissat, B, Gilbert, H.J. | | Deposit date: | 2017-04-12 | | Release date: | 2017-06-28 | | Last modified: | 2017-08-23 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | An evolutionarily distinct family of polysaccharide lyases removes rhamnose capping of complex arabinogalactan proteins.
J. Biol. Chem., 292, 2017
|
|
6T1U
 | | Cytochrome P450 reductase from Candida tropicalis | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH--cytochrome P450 reductase | | Authors: | Opperman, D.J, Sewell, B.T. | | Deposit date: | 2019-10-06 | | Release date: | 2020-01-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Biochemical and structural insights into the cytochrome P450 reductase from Candida tropicalis.
Sci Rep, 9, 2019
|
|
5NNS
 | | Crystal structure of HiLPMO9B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACRYLIC ACID, COPPER (II) ION, ... | | Authors: | Dimarogona, M, Sandgren, M. | | Deposit date: | 2017-04-10 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and molecular dynamics studies of a C1-oxidizing lytic polysaccharide monooxygenase from Heterobasidion irregulare reveal amino acids important for substrate recognition.
FEBS J., 285, 2018
|
|
6T2N
 | | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown | | Descriptor: | CALCIUM ION, Glycoside hydrolase family 16 protein | | Authors: | Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N. | | Deposit date: | 2019-10-09 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown.
Nat Commun, 11, 2020
|
|
6T2X
 | |
6T44
 | |
7A17
 | | Crystal structure of the 5-phosphatase domain of Synaptojanin1 bound to its substrate diC8-PI(3,4,5)P3 in complex with a nanobody | | Descriptor: | (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate, GLYCEROL, Isoform 2 of Synaptojanin-1, ... | | Authors: | Paesmans, J, Galicia, C, Martin, E, Versees, W. | | Deposit date: | 2020-08-12 | | Release date: | 2020-12-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | A structure of substrate-bound Synaptojanin1 provides new insights in its mechanism and the effect of disease mutations.
Elife, 9, 2020
|
|
