6RIM
 
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6RJL
 | | Fragment AZ-018 binding at the TAZpS89/14-3-3 sigma interface | | Descriptor: | 14-3-3 protein sigma, 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide, TAZpS89 | | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | | Deposit date: | 2019-04-27 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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6RKG
 | | 1.32 A RESOLUTION OF SPOROSARCINA PASTEURII UREASE INHIBITED IN THE PRESENCE OF NBPTO AT pH 7.5 | | Descriptor: | 1,2-ETHANEDIOL, DIAMIDOPHOSPHATE, NICKEL (II) ION, ... | | Authors: | Mazzei, L, Cianci, M, Benini, S, Ciurli, S. | | Deposit date: | 2019-04-30 | | Release date: | 2020-03-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | The Impact of pH on Catalytically Critical Protein Conformational Changes: The Case of the Urease, a Nickel Enzyme.
Chemistry, 25, 2019
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6RKA
 | | Inter-dimeric interface controls function and stability of S-methionine adenosyltransferase from U. urealiticum | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Methionine adenosyltransferase, PHOSPHATE ION, ... | | Authors: | Shahar, A, Zarivach, R, Bershtein, S, Kleiner, D, Shmulevich, F. | | Deposit date: | 2019-04-30 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The interdimeric interface controls function and stability of Ureaplasma urealiticum methionine S-adenosyltransferase.
J.Mol.Biol., 431, 2019
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5MU7
 | | Crystal Structure of the beta/delta-COPI Core Complex | | Descriptor: | Coatomer subunit beta, Coatomer subunit delta-like protein | | Authors: | Kopp, J, Aderhold, P, Wieland, F, Sinning, I. | | Deposit date: | 2017-01-12 | | Release date: | 2017-06-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | 9 angstrom structure of the COPI coat reveals that the Arf1 GTPase occupies two contrasting molecular environments.
Elife, 6, 2017
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6RKY
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6RM2
 | | Deoxyguanylosuccinate synthase (DgsS) structure with ATP, IMP, Magnesium | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Adenylosuccinate synthetase, INOSINIC ACID, ... | | Authors: | Sleiman, D, Loc'h, J, Haouz, A, Kaminski, P.A. | | Deposit date: | 2019-05-04 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATP, IMP, Magnesium at 2.5 Angstrom resolution
To Be Published
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5MY2
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5MRH
 | | Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with Triazolone 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(3-methylbutyl)-4~{H}-1,2,3-triazol-5-one, Sortilin, ... | | Authors: | Andersen, J.L, Strandbygaard, D, Thirup, S. | | Deposit date: | 2016-12-23 | | Release date: | 2017-05-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The identification of novel acid isostere based inhibitors of the VPS10P family sorting receptor Sortilin.
Bioorg. Med. Chem. Lett., 27, 2017
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6RLC
 | | Crystal structure of the PDZ tandem of syntenin in complex with fragment F13 | | Descriptor: | (2~{S})-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methyl-butanoic acid, ACETATE ION, Syntenin-1 | | Authors: | Feracci, M, Barral, K. | | Deposit date: | 2019-05-02 | | Release date: | 2021-02-03 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Pharmacological inhibition of syntenin PDZ2 domain impairs breast cancer cell activities and exosome loadifing with syndecan and EpCAM cargo.
J Extracell Vesicles, 10, 2020
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5MRV
 | | Crystal structure of human carboxypeptidase O in complex with NvCI | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Carboxypeptidase O, Metallocarboxypeptidase inhibitor, ... | | Authors: | Garcia-Pardo, J, Garcia-Guerrero, M.C, Fernandez-Alvarez, R, Lyons, P, Aviles, F.X, Lorenzo, J, Reverter, D. | | Deposit date: | 2016-12-27 | | Release date: | 2018-01-17 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.854 Å) | | Cite: | Crystal structure and mechanism of human carboxypeptidase O: Insights into its specific activity for acidic residues.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6RM7
 | | Fragment AZ-026 binding at the p53pT387/14-3-3 sigma interface | | Descriptor: | 14-3-3 protein sigma, 5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... | | Authors: | Somsen, B, Wolter, M, Guillory, X, Genet, S, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | | Deposit date: | 2019-05-05 | | Release date: | 2020-06-17 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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5MSE
 | | GFP nuclear transport receptor mimic 3B8 | | Descriptor: | Green fluorescent protein, IMIDAZOLE, SODIUM ION | | Authors: | Huyton, T, Gorlich, D. | | Deposit date: | 2017-01-04 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Surface Properties Determining Passage Rates of Proteins through Nuclear Pores.
Cell, 174, 2018
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6RMF
 | | Crystal structure of NDM-1 with VNRX-5133 | | Descriptor: | (10aR)-2-(((1r,4R)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10H-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide, (4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, Metallo-beta-lactamase type 2, ... | | Authors: | Hinchliffe, P, Spencer, J, Brem, J, Schofield, C.J. | | Deposit date: | 2019-05-06 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Bicyclic Boronate VNRX-5133 Inhibits Metallo- and Serine-beta-Lactamases.
J.Med.Chem., 62, 2019
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6RMT
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5MSM
 | | Structure of the Dcc1-Ctf8-Ctf18C Trimer | | Descriptor: | Chromosome transmission fidelity protein 18, Chromosome transmission fidelity protein 8, Sister chromatid cohesion protein DCC1 | | Authors: | Wade, B.O, Singleton, M.R. | | Deposit date: | 2017-01-05 | | Release date: | 2017-02-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structural studies of RFC(C)(tf18) reveal a novel chromatin recruitment role for Dcc1.
EMBO Rep., 18, 2017
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5MSX
 | | Glycoside hydrolase BT_3662 | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | | Deposit date: | 2017-01-06 | | Release date: | 2017-03-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
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5MT3
 | | Human insulin in complex with serotonin and arginine | | Descriptor: | ARGININE, CHLORIDE ION, Insulin, ... | | Authors: | Brzozowski, A.M, Turkenburg, J.P, Jiracek, J, Zakova, L. | | Deposit date: | 2017-01-06 | | Release date: | 2017-04-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Computational and structural evidence for neurotransmitter-mediated modulation of the oligomeric states of human insulin in storage granules.
J. Biol. Chem., 292, 2017
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5MT9
 | | Human insulin in complex with serotonin and arginine | | Descriptor: | ARGININE, CHLORIDE ION, Insulin, ... | | Authors: | Brzozowski, A.M, Turkenburg, J.P, Jiracek, J, Zakova, L. | | Deposit date: | 2017-01-07 | | Release date: | 2017-04-05 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Computational and structural evidence for neurotransmitter-mediated modulation of the oligomeric states of human insulin in storage granules.
J. Biol. Chem., 292, 2017
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6RTQ
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5MU0
 | | ACC1 Fab fragment in complex with citrullinated C1 epitope of CII (IA03) | | Descriptor: | IA03 peptide containing the citrullinated C1 epitope of collagen type II,Collagen alpha-1(II) chain,IA03 peptide containing the citrullinated C1 epitope of collagen type II, heavy chain of ACC1 antibody Fab fragment, light chain of ACC1 antibody Fab fragment | | Authors: | Dobritzsch, D, Holmdahl, R, Ge, C. | | Deposit date: | 2017-01-11 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Anti-citrullinated protein antibodies cause arthritis by cross-reactivity to joint cartilage.
JCI Insight, 2, 2017
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5MUI
 | | Glycoside hydrolase BT_0996 | | Descriptor: | Beta-galactosidase, beta-L-arabinofuranose-(1-2)-alpha-L-rhamnopyranose-(1-2)-[alpha-L-rhamnopyranose-(1-3)]alpha-L-arabinopyranose-(1-4)-[4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-alpha-L-fucopyranose-(1-2)]beta-D-galactopyranose-(1-2)-alpha-D-aceric acid-(1-3)-alpha-L-rhamnopyranose | | Authors: | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | | Deposit date: | 2017-01-13 | | Release date: | 2017-03-22 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
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5MVP
 | | Crystal structure of an A-DNA dodecamer containing the GGGCCC motif | | Descriptor: | DNA, POTASSIUM ION | | Authors: | Hardwick, J.S, Ptchelkine, D, Phillips, S.E.V, Brown, T. | | Deposit date: | 2017-01-17 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.606 Å) | | Cite: | 5-Formylcytosine does not change the global structure of DNA.
Nat. Struct. Mol. Biol., 24, 2017
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5MW5
 | | Human Jagged2 C2-EGF2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protein jagged-2 | | Authors: | Suckling, R.J, Handford, P.A, Lea, S.M. | | Deposit date: | 2017-01-18 | | Release date: | 2017-06-14 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands.
EMBO J., 36, 2017
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5MWJ
 | | Structure Enabled Discovery of a Stapled Peptide Inhibitor to Target the Oncogenic Transcriptional Repressor TLE1 | | Descriptor: | DIMETHYL SULFOXIDE, Transducin-like enhancer protein 1, pepide inhibtor | | Authors: | McGrath, S, Tortorici, M, Vidler, L, Drouin, L, Westwood, I, Gimeson, P, Van Montfort, R, Hoelder, S. | | Deposit date: | 2017-01-18 | | Release date: | 2017-04-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structure-Enabled Discovery of a Stapled Peptide Inhibitor to Target the Oncogenic Transcriptional Repressor TLE1.
Chemistry, 23, 2017
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