5N5R
| 14-3-3 sigma in complex with TAZ pS89 peptide and fragment NV1 | Descriptor: | 14-3-3 protein sigma, 2-azanyl-~{N}-(2,6-dimethylphenyl)-~{N}-propan-2-yl-ethanamide, CHLORIDE ION, ... | Authors: | Sijbesma, E, Leysen, S, Ottmann, C. | Deposit date: | 2017-02-14 | Release date: | 2017-07-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Identification of Two Secondary Ligand Binding Sites in 14-3-3 Proteins Using Fragment Screening. Biochemistry, 56, 2017
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5N2C
| Crystal structure of the peptidoglycan-associated lipoprotein from Burkholderia cenocepacia | Descriptor: | 1,2-ETHANEDIOL, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ACETATE ION, ... | Authors: | Matterazzo, E, Bolognesi, M, Gourlay, L.J. | Deposit date: | 2017-02-07 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Designing Probes for Immunodiagnostics: Structural Insights into an Epitope Targeting Burkholderia Infections. ACS Infect Dis, 3, 2017
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5N7T
| Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5,6-dichloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid | Descriptor: | 3-(5,6-DICHLORO-2-OXOBENZO[D]OXAZOL-3(2H)-YL)PROPANOIC ACID, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Rowland, P. | Deposit date: | 2017-02-21 | Release date: | 2017-06-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | The discovery of potent and selective kynurenine 3-monooxygenase inhibitors for the treatment of acute pancreatitis. Bioorg. Med. Chem. Lett., 27, 2017
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5N8D
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5NAA
| Lipoprotein-releasing system transmembrane protein LolC | Descriptor: | Lipoprotein-releasing system transmembrane protein LolC, SULFATE ION | Authors: | Kaplan, E. | Deposit date: | 2017-02-27 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structure and mechanotransmission mechanism of the MacB ABC transporter superfamily. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5N6O
| Wild type human Rac1-GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related C3 botulinum toxin substrate 1 | Authors: | Cherfils, J, Ferrandez, Y. | Deposit date: | 2017-02-15 | Release date: | 2017-12-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Allosteric inhibition of the guanine nucleotide exchange factor DOCK5 by a small molecule. Sci Rep, 7, 2017
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5N6S
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5NBG
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5NBM
| Crystal structure of the Arp4-N-actin(ATP-state) heterodimer bound by a nanobody | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, Actin-related protein 4, ... | Authors: | Knoll, K.R, Eustermann, S, Hopfner, K.P. | Deposit date: | 2017-03-02 | Release date: | 2018-08-22 | Last modified: | 2018-09-19 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | The nuclear actin-containing Arp8 module is a linker DNA sensor driving INO80 chromatin remodeling. Nat. Struct. Mol. Biol., 25, 2018
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5NDE
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5N56
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5N84
| TTK kinase domain in complex with Mps-BAY2b | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, Dual specificity protein kinase TTK, SODIUM ION, ... | Authors: | Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R. | Deposit date: | 2017-02-22 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity. J. Mol. Biol., 429, 2017
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5N8S
| Crystal Structure of Drosophila DHX36 helicase in complex with polyT | Descriptor: | CG9323, isoform A, DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), ... | Authors: | Chen, W.-F, Rety, S, Hai-Lei Guo, H.-L, Wu, W.-Q, Liu, N.-N, Liu, Q.-W, Dai, Y.-X, Xi, X.-G. | Deposit date: | 2017-02-24 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Molecular Mechanistic Insights into Drosophila DHX36-Mediated G-Quadruplex Unfolding: A Structure-Based Model. Structure, 26, 2018
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5N87
| TTK kinase domain in complex with NTRC 0066-0 | Descriptor: | 2,5,8,11-TETRAOXATRIDECANE, Dual specificity protein kinase TTK, SODIUM ION, ... | Authors: | Uitdehaag, J, Willemsen-Seegers, N, Sterrenburg, J.G, de Man, J, Buijsman, R.C, Zaman, G.J.R. | Deposit date: | 2017-02-23 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity. J. Mol. Biol., 429, 2017
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5N8Q
| Structure of truncated Norcoclaurine Synthase from Thalictrum flavum | Descriptor: | S-norcoclaurine synthase | Authors: | Sula, A, Lichman, B.R, Pesnot, T, Ward, J.M, Hailes, H.C, Keep, N.H. | Deposit date: | 2017-02-24 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Evidence for the Dopamine-First Mechanism of Norcoclaurine Synthase. Biochemistry, 56, 2017
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5N90
| Crystal Structure of Drosophila DHX36 helicase in complex with TTGTGGTGT | Descriptor: | CG9323, isoform A, DNA (5'-D(P*TP*TP*GP*TP*GP*GP*TP*GP*T)-3'), ... | Authors: | Chen, W.-F, Rety, S, Guo, H.-L, Wu, W.-Q, Liu, N.-N, Liu, Q.-W, Dai, Y.-X, Xi, X.-G. | Deposit date: | 2017-02-24 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.069 Å) | Cite: | Molecular Mechanistic Insights into Drosophila DHX36-Mediated G-Quadruplex Unfolding: A Structure-Based Model. Structure, 26, 2018
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5N9L
| Crystal structure of human Protein kinase CK2 catalytic subunit in complex with the ATP-competitive dibenzofuran inhibitor TF (4b) | Descriptor: | (4~{Z})-6,7-bis(chloranyl)-4-[[(4-methylphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one, ACETATE ION, Casein kinase II subunit alpha, ... | Authors: | Schnitzler, A, Gratz, A, Bollacke, A, Weyrich, M, Kucklaender, U, Wuensch, B, Goetz, C, Niefind, K, Jose, J. | Deposit date: | 2017-02-25 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | A pi-Halogen Bond of Dibenzofuranones with the Gatekeeper Phe113 in Human Protein Kinase CK2 Leads to Potent Tight Binding Inhibitors. Pharmaceuticals, 11, 2018
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5ND5
| Crystal structure of transketolase from Chlamydomonas reinhardtii in complex with TPP and Mg2+ | Descriptor: | MAGNESIUM ION, THIAMINE DIPHOSPHATE, Transketolase | Authors: | Fermani, S, Zaffagnini, M, Francia, F, Pasquini, M. | Deposit date: | 2017-03-07 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural basis for the magnesium-dependent activation of transketolase from Chlamydomonas reinhardtii. Biochim. Biophys. Acta, 1861, 2017
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5NBN
| Crystal structure of the Arp4-N-actin-Arp8-Ino80HSA module of INO80 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, Actin-like protein ARP8, ... | Authors: | Knoll, K.R, Eustermann, S, Hopfner, K.P. | Deposit date: | 2017-03-02 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | The nuclear actin-containing Arp8 module is a linker DNA sensor driving INO80 chromatin remodeling. Nat. Struct. Mol. Biol., 25, 2018
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5NCI
| GriE in complex with cobalt, alpha-ketoglutarate and l-leucine | Descriptor: | 2-OXOGLUTARIC ACID, COBALT (II) ION, LEUCINE, ... | Authors: | Lukat, P, Blankenfeldt, W, Mueller, R. | Deposit date: | 2017-03-05 | Release date: | 2017-10-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.755 Å) | Cite: | Biosynthesis of methyl-proline containing griselimycins, natural products with anti-tuberculosis activity. Chem Sci, 8, 2017
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5NEV
| CDK2/Cyclin A in complex with compound 73 | Descriptor: | 4-[[6-(3-phenylphenyl)-7~{H}-purin-2-yl]amino]benzenesulfonamide, Cyclin-A2, Cyclin-dependent kinase 2 | Authors: | Coxon, C.R, Anscombe, E, Harnor, S.J, Martin, M.P, Carbain, B, Hardcastle, I.R, Harlow, L.K, Korolchuk, S, Matheson, C.J, Noble, M.E.M, Newell, D.R, Turner, D, Sivaprakasam, M, Wang, L.Z, Wong, C, Golding, B.T, Griffin, R.J, Cano, G. | Deposit date: | 2017-03-12 | Release date: | 2017-03-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines. J. Med. Chem., 60, 2017
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5NHE
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5NJC
| E. coli Microcin-processing metalloprotease TldD/E (TldD E263A mutant) with hexapeptide bound | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Metalloprotease PmbA, ... | Authors: | Ghilarov, D, Serebryakova, M, Stevenson, C.E.M, Hearnshaw, S.J, Volkov, D, Maxwell, A, Lawson, D.M, Severinov, K. | Deposit date: | 2017-03-28 | Release date: | 2017-10-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | The Origins of Specificity in the Microcin-Processing Protease TldD/E. Structure, 25, 2017
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5NK5
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1m | Descriptor: | 2-[[3-[(3-aminophenyl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, 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 (1.329 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NKD
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2i | Descriptor: | 1,2-ETHANEDIOL, 2-[(3~{R})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidin-3-yl]ethanoic acid, 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 (1.408 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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