2Q7J
 
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6DPY
 | | X-ray crystal structure of AmpC beta-lactamase with inhibitor | | Descriptor: | 4-{[(4R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-4-yl]sulfamoyl}-2,5-dimethylfuran-3-carboxylic acid, Beta-lactamase | | Authors: | Singh, I. | | Deposit date: | 2018-06-09 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Ultra-large library docking for discovering new chemotypes.
Nature, 566, 2019
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2RIS
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2Q7K
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3G6J
 | | C3b in complex with a C3b specific Fab | | Descriptor: | CALCIUM ION, Complement C3 alpha chain, Complement C3 beta chain, ... | | Authors: | Wiesmann, C. | | Deposit date: | 2009-02-06 | | Release date: | 2009-03-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural and Functional Analysis of a C3b-specific Antibody That Selectively Inhibits the Alternative Pathway of Complement
J.Biol.Chem., 284, 2009
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4HB9
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4G34
 | | Crystal Structure of GSK6924 Bound to PERK (R587-R1092, delete A660-T867) at 2.70 A Resolution | | Descriptor: | 1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]-2-phenylethanone, Eukaryotic translation initiation factor 2-alpha kinase 3 | | Authors: | Gampe, R.T, Axten, J.M. | | Deposit date: | 2012-07-13 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of 7-Methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a Potent and Selective First-in-Class Inhibitor of Protein Kinase R (PKR)-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 55, 2012
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4C9L
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4C9O
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4C9P
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2L4N
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2MBF
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5NSD
 | | Co-crystal structure of NAMPT dimer with KPT-9274 | | Descriptor: | (~{E})-3-(6-azanylpyridin-3-yl)-~{N}-[[5-[4-[4,4-bis(fluoranyl)piperidin-1-yl]carbonylphenyl]-7-(4-fluorophenyl)-1-benzofuran-2-yl]methyl]prop-2-enamide, GLYCEROL, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Neggers, J.E, Kwanten, B, Dierckx, T, Noguchi, H, Voet, A, Vercruysse, T, Baloglu, E, Senapedis, W, Jacquemyn, M, Daelemans, D. | | Deposit date: | 2017-04-26 | | Release date: | 2018-02-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.046 Å) | | Cite: | Target identification of small molecules using large-scale CRISPR-Cas mutagenesis scanning of essential genes.
Nat Commun, 9, 2018
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2LSS
 | | Solution structure of the R. rickettsii cold shock-like protein | | Descriptor: | Cold shock-like protein | | Authors: | Veldkamp, C.T, Peterson, F.C, Gerarden, K.P, Fuchs, A.M, Koch, J.M, Mueller, M.M. | | Deposit date: | 2012-05-04 | | Release date: | 2012-05-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the cold-shock-like protein from Rickettsia rickettsii.
Acta Crystallogr.,Sect.F, 68, 2012
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2NB9
 | | Solution structure of ZitP zinc finger | | Descriptor: | Uncharacterized protein, ZINC ION | | Authors: | Campagne, S, Berge, M, Viollier, P.H, Allain, F.H.-T. | | Deposit date: | 2016-02-01 | | Release date: | 2016-12-14 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Modularity and determinants of a (bi-)polarization control system from free-living and obligate intracellular bacteria.
Elife, 5, 2016
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2ORU
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6NPE
 | | C-abl Kinase domain with the activator(cmpd6), 2-cyano-N-(4-(3,4-dichlorophenyl)thiazol-2-yl)acetamide | | Descriptor: | 2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, NONAETHYLENE GLYCOL, ... | | Authors: | campobasso, N. | | Deposit date: | 2019-01-17 | | Release date: | 2019-03-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
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6NPV
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6NPU
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5MBT
 | | CeuE (H227L, Y288F variant) a periplasmic protein from Campylobacter jejuni | | Descriptor: | Enterochelin uptake periplasmic binding protein | | Authors: | Wilde, E.J, Blagova, E.V, Hughes, A, Raines, D.J, Moroz, O.V, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S. | | Deposit date: | 2016-11-08 | | Release date: | 2017-04-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length.
Sci Rep, 7, 2017
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5MBU
 | | CeuE (H227A, Y288F variant) a periplasmic protein from Campylobacter jejuni | | Descriptor: | Enterochelin uptake periplasmic binding protein | | Authors: | Wilde, E.J, Blagova, E.V, Hughes, A, Raines, D.J, Moroz, O.V, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S. | | Deposit date: | 2016-11-08 | | Release date: | 2017-04-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length.
Sci Rep, 7, 2017
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8RKE
 | | Crystal structure of the complete N-terminal region of human ZP2 (hZP2-N1N2N3) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Fahrenkamp, D, de Sanctis, D, Jovine, L. | | Deposit date: | 2023-12-25 | | Release date: | 2024-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
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8RKH
 | | Crystal structure of the ZP-N2 and ZP-N3 domains of mouse ZP2 (mZP2-N2N3) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2, ... | | Authors: | Fahrenkamp, D, de Sanctis, D, Jovine, L. | | Deposit date: | 2023-12-25 | | Release date: | 2024-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
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5MBQ
 | | CeuE (H227A variant) a periplasmic protein from Campylobacter jejuni | | Descriptor: | Enterochelin uptake periplasmic binding protein | | Authors: | Wilde, E.J, Blagova, E.V, Hughes, A, Raines, D.J, Moroz, O.V, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S. | | Deposit date: | 2016-11-08 | | Release date: | 2017-04-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length.
Sci Rep, 7, 2017
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6OW2
 | | X-ray Structure of Polypeptide Deformylase | | Descriptor: | (2R)-2-(cyclopentylmethyl)-N'-{5-fluoro-6-[(9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-2-methylpyrimidin-4-yl}-3-[hydroxy(hydroxymethyl)amino]propanehydrazide, NICKEL (II) ION, Peptide deformylase | | Authors: | Campobasso, N, Spletstoser, J, Ward, P. | | Deposit date: | 2019-05-09 | | Release date: | 2019-06-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of piperazic acid peptide deformylase inhibitors with in vivo activity for respiratory tract and skin infections.
Bioorg.Med.Chem.Lett., 29, 2019
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