8B8E
 
 | | Wild-type GH11 from Blastobotrys mokoenaii | | Descriptor: | 1,2-ETHANEDIOL, BmGH11, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Coleman, T, Ravn, J.L, Larsbrink, J. | | Deposit date: | 2022-10-04 | | Release date: | 2023-05-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Yeasts Have Evolved Divergent Enzyme Strategies To Deconstruct and Metabolize Xylan.
Microbiol Spectr, 11, 2023
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7Q4R
 | | Crystal structure of human HSP72-NBD in complex with fragment 1 | | Descriptor: | 4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide, Heat shock 70 kDa protein 1A, MAGNESIUM ION, ... | | Authors: | Le Bihan, Y.V, Westwood, I.M, van Montfort, R.L.M. | | Deposit date: | 2021-11-02 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery and Characterization of a Cryptic Secondary Binding Site in the Molecular Chaperone HSP70.
Molecules, 27, 2022
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6WIR
 | | Fab antigen complex | | Descriptor: | Fab heavy chain, Fab light chain, Interleukin-17A | | Authors: | Antonysamy, S. | | Deposit date: | 2020-04-10 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | Rapid and robust antibody Fab fragment crystallization utilizing edge-to-edge beta-sheet packing.
Plos One, 15, 2020
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6O9S
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7PR5
 | | Cocrystal of an RSL-N23H and sulfonato-thiacalix[4]arene - zinc complex | | Descriptor: | Fucose-binding lectin protein, GLYCEROL, ZINC ION, ... | | Authors: | Flood, R.J, Ramberg, K, Guagnini, F, Crowley, P.B. | | Deposit date: | 2021-09-20 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Protein Frameworks with Thiacalixarene and Zinc.
Cryst.Growth Des., 22, 2022
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6O9W
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6WX4
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6OH7
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6WRL
 | | The interaction of chlorido(1,5-cyclooctadiene)([4-(2-((tert-butoxycarbonyl)amino)-3-methoxy-3-oxopropyl)-1,3-dimethyl-1H-imidazol-3-ide])rhodium(I) with HEWL after 1 week | | Descriptor: | ACETATE ION, Lysozyme, Rhodium, ... | | Authors: | Sullivan, M.P, John, M, Hartinger, C.G, Goldstone, D.C. | | Deposit date: | 2020-04-29 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | A Combined Spectroscopic and Protein Crystallography Study Reveals Protein Interactions of Rh I (NHC) Complexes at the Molecular Level.
Inorg.Chem., 59, 2020
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6O5J
 | | Crystal Structure of DAD2 bound to quinazolinone derivative | | Descriptor: | 1-(4-hydroxy-3-nitrophenyl)quinazoline-2,4(1H,3H)-dione, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Hamiaux, C. | | Deposit date: | 2019-03-03 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Chemical synthesis and characterization of a new quinazolinedione competitive antagonist for strigolactone receptors with an unexpected binding mode.
Biochem.J., 476, 2019
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6X00
 | | Structure of DbNA(11) peptides bound to H-2Db MHC-I | | Descriptor: | Beta-2-microglobulin, Epitope from Neuraminidase Protein (NA-181-191), H-2 class I histocompatibility antigen, ... | | Authors: | Farenc, C, Rossjohn, J. | | Deposit date: | 2020-05-14 | | Release date: | 2020-09-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Overlapping Peptides Elicit Distinct CD8 + T Cell Responses following Influenza A Virus Infection.
J Immunol., 205, 2020
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6WRM
 | | The interaction of chlorido(1,5-cyclooctadiene)([4-(2-((tert-butoxycarbonyl)amino)-3-methoxy-3-oxopropyl)-1,3-dimethyl-1H-imidazol-3-ide])rhodium(I) with HEWL after 1 month | | Descriptor: | (4-{2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}-1,3-dimethyl-2,3-dihydro-1H-imidazol-2-yl)rhodium, CHLORIDE ION, Lysozyme, ... | | Authors: | Sullivan, M.P, John, M, Hartinger, C.G, Goldstone, D.C. | | Deposit date: | 2020-04-29 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A Combined Spectroscopic and Protein Crystallography Study Reveals Protein Interactions of Rh I (NHC) Complexes at the Molecular Level.
Inorg.Chem., 59, 2020
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6P4C
 | | HyHEL10 Fab carrying four heavy chain mutations (HyHEL10-4x): L4F, Y33H, S56N, and Y58F | | Descriptor: | CHLORIDE ION, HyHEL10 Fab heavy chain, HyHEL10 Fab light chain | | Authors: | Langley, D.B, Christ, D. | | Deposit date: | 2019-05-27 | | Release date: | 2020-05-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Conformational diversity facilitates antibody mutation trajectories and discrimination between foreign and self-antigens.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6WX5
 | | Adducts formed after 3 weeks in the reaction of chlorido[chlorido(2,2'-((2-([2,2':6',2''-Terpyridin]-4'-yloxy)ethyl)azanediyl)bis(ethan-1-ol))platinum(II)] with HEWL | | Descriptor: | ACETATE ION, Lysozyme, PLATINUM (II) ION, ... | | Authors: | Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. | | Deposit date: | 2020-05-09 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Mustards-Derived Terpyridine-Platinum Complexes as Anticancer Agents: DNA Alkylation vs Coordination.
Inorg.Chem., 60, 2021
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6P4B
 | | HyHEL10 fab variant HyHEL10-4x (heavy chain mutations L4F, Y33H, S56N, and Y58F) bound to hen egg lysozyme variant HEL2x-flex (mutations R21Q, R73E, C76S, and C94S) | | Descriptor: | CHLORIDE ION, HyHEL10 Fab heavy chain, HyHEL10 Fab light chain, ... | | Authors: | Langley, D.B, Christ, D. | | Deposit date: | 2019-05-27 | | Release date: | 2020-05-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Conformational diversity facilitates antibody mutation trajectories and discrimination between foreign and self-antigens.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8CBH
 | | SHP2 in complex with a novel allosteric inhibitor | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11, [(1~{S},6~{R},7~{S})-3-[3-[2,3-bis(chloranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine | | Authors: | di Fabio, R, Petrocchi, A. | | Deposit date: | 2023-01-25 | | Release date: | 2023-04-26 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Discovery of a Novel Series of Imidazopyrazine Derivatives as Potent SHP2 Allosteric Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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6WIJ
 | | The crystal structure of the 2009/H1N1/California PA endonuclease mutant I38T in complex with SJ000986448 | | Descriptor: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | | Deposit date: | 2020-04-10 | | Release date: | 2021-04-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
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6P4D
 | | Hen egg lysozyme (HEL) containing three point mutations (HEL3x): R21Q, R73E, and D101R | | Descriptor: | CHLORIDE ION, GLYCEROL, Lysozyme C, ... | | Authors: | Langley, D.B, Christ, D. | | Deposit date: | 2019-05-27 | | Release date: | 2020-05-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Conformational diversity facilitates antibody mutation trajectories and discrimination between foreign and self-antigens.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6WNU
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6WNI
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6WQW
 | | Thermobacillus composti GH10 xylanase | | Descriptor: | Beta-xylanase, beta-D-xylopyranose | | Authors: | Briganti, L, Polikarpov, I. | | Deposit date: | 2020-04-29 | | Release date: | 2021-04-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Transformation of xylan into value-added biocommodities using Thermobacillus composti GH10 xylanase.
Carbohydr Polym, 247, 2020
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7PK5
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6WQ6
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6WQS
 | | Xanthomonas citri Methionyl-tRNA synthetase in complex with REP8839 | | Descriptor: | 2-{[3-({[4-bromo-5-(1-fluoroethenyl)-3-methylthiophen-2-yl]methyl}amino)propyl]amino}quinolin-4(1H)-one, Methionine--tRNA ligase, ZINC ION | | Authors: | Mercaldi, G.F, Benedetti, C.E. | | Deposit date: | 2020-04-29 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular basis for diaryldiamine selectivity and competition with tRNA in a type 2 methionyl-tRNA synthetase from a Gram-negative bacterium.
J.Biol.Chem., 296, 2021
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6WQT
 | | Xanthomonas citri Methionyl-tRNA synthetase in complex with REP3123 | | Descriptor: | 5-[(3-{[(4R)-6,8-dibromo-3,4-dihydro-2H-1-benzopyran-4-yl]amino}propyl)amino]thieno[3,2-b]pyridin-7(6H)-one, Methionine--tRNA ligase, ZINC ION | | Authors: | Mercaldi, G.F, Benedetti, C.E. | | Deposit date: | 2020-04-29 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Molecular basis for diaryldiamine selectivity and competition with tRNA in a type 2 methionyl-tRNA synthetase from a Gram-negative bacterium.
J.Biol.Chem., 296, 2021
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