7R7D
 
 | | Structure of human SHP2 in complex with compound 22 | | Descriptor: | 4-[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-N-methylpyridin-2-amine, TETRAETHYLENE GLYCOL, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Leonard, P.G, Cross, J. | | Deposit date: | 2021-06-24 | | Release date: | 2021-10-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
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6GLW
 | | Structure of galectin-10 in complex with the Fab fragment of a Charcot-Leyden crystal solubilizing antibody, 1D11 | | Descriptor: | ACETATE ION, Fab 1D11 - Heavy chain, Fab 1D11 - Light chain, ... | | Authors: | Verstraete, K, Verschueren, K, Savvides, S.N. | | Deposit date: | 2018-05-23 | | Release date: | 2019-06-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Protein crystallization promotes type 2 immunity and is reversible by antibody treatment.
Science, 364, 2019
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7RP0
 | | Structural Snapshots of Intermediates in the Gating of a K+ Channel | | Descriptor: | DIACYL GLYCEROL, KcsA Fab chain A, KcsA Fab chain B, ... | | Authors: | Reddi, R, Matulef, K, Riederer, E.A, Valiyaveetil, F.I. | | Deposit date: | 2021-08-02 | | Release date: | 2021-10-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Structures of Gating Intermediates in a K + channell.
J.Mol.Biol., 433, 2021
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8BHH
 | | The crystal structure of a feruloyl esterase C from Fusarium oxysporum in complex with p-coumaric acid | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4'-HYDROXYCINNAMIC ACID, ... | | Authors: | Dimarogona, M, Topakas, E, Kosinas, C, Ferousi, C, Nikolaivits, E. | | Deposit date: | 2022-10-31 | | Release date: | 2023-07-05 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Crystal structure of the Fusarium oxysporum tannase-like feruloyl esterase FaeC in complex with p-coumaric acid provides insight into ligand binding.
Febs Lett., 597, 2023
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4YD7
 | | Endothiapepsin in complex with fragment 255 | | Descriptor: | 2-(imidazo[1,2-a]pyridin-2-yl)-N-phenylacetamide, ACETATE ION, Endothiapepsin, ... | | Authors: | Stieler, M, Heine, A, Klebe, G. | | Deposit date: | 2015-02-21 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.419 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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7R86
 | | Structure of mouse BAI1 (ADGRB1) in complex with mouse Nogo receptor (RTN4R) | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-AMINOBENZOIC ACID, ... | | Authors: | Miao, Y, Jude, K.M, Garcia, K.C. | | Deposit date: | 2021-06-26 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | RTN4/NoGo-receptor binding to BAI adhesion-GPCRs regulates neuronal development.
Cell, 184, 2021
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5KGA
 | | X-ray structure of a glucosamine N-Acetyltransferase from Clostridium acetobutylicum, mutant D287N, in complex with N-acetylglucosamine | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYL COENZYME *A, ... | | Authors: | Dopkins, B.J, Thoden, J.B, Tipton, P.A, Holden, H.M. | | Deposit date: | 2016-06-13 | | Release date: | 2016-07-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Studies on a Glucosamine/Glucosaminide N-Acetyltransferase.
Biochemistry, 55, 2016
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6GKH
 | | CryoEM structure of the MDA5-dsRNA filament in complex with ADP-AlF4 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Interferon-induced helicase C domain-containing protein 1, MAGNESIUM ION, ... | | Authors: | Yu, Q, Qu, K, Modis, Y. | | Deposit date: | 2018-05-21 | | Release date: | 2018-11-21 | | Last modified: | 2020-11-18 | | Method: | ELECTRON MICROSCOPY (4.06 Å) | | Cite: | Cryo-EM Structures of MDA5-dsRNA Filaments at Different Stages of ATP Hydrolysis.
Mol. Cell, 72, 2018
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7VPL
 | | Cryo-EM structure of the human ATP13A2 (SPM-bound E2Pi state) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Polyamine-transporting ATPase 13A2, ... | | Authors: | Tomita, A, Yamashita, K, Nishizawa, T, Nureki, O. | | Deposit date: | 2021-10-17 | | Release date: | 2021-12-29 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM reveals mechanistic insights into lipid-facilitated polyamine export by human ATP13A2.
Mol.Cell, 81, 2021
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6GKT
 | | X-ray structure of a non-autocrystallizing galectin-10 variant, Gal10-Tyr69Glu | | Descriptor: | Galectin-10, HEXAETHYLENE GLYCOL, TETRAETHYLENE GLYCOL, ... | | Authors: | Verstraete, K, Verschueren, K, Savvides, S.N. | | Deposit date: | 2018-05-21 | | Release date: | 2019-06-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Protein crystallization promotes type 2 immunity and is reversible by antibody treatment.
Science, 364, 2019
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7VSH
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7VPJ
 | | Cryo-EM structure of the human ATP13A2 (E1P-ADP state) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Tomita, A, Yamashita, K, Nishizawa, T, Nureki, O. | | Deposit date: | 2021-10-17 | | Release date: | 2021-12-29 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM reveals mechanistic insights into lipid-facilitated polyamine export by human ATP13A2.
Mol.Cell, 81, 2021
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6H30
 | | The crystal structure of SBD1-SBD2 tandem of GlnPQ transporter | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Schuurman-Wolters, G.K, Guskov, A, Poolman, B. | | Deposit date: | 2018-07-17 | | Release date: | 2019-08-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The crystal structure of SBD1-SBD2 tandem of GlnPQ transporter
To Be Published
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8B4C
 | | ToxR bacterial transcriptional regulator bound to 20 bp toxT promoter DNA | | Descriptor: | Cholera toxin transcriptional activator, DNA (20-MER) | | Authors: | Canals, A, Pieretti, S, Muriel, M, El Yaman, N, Fabrega-Ferrer, M, Perez-Luque, R, Krukonis, E.S, Coll, M. | | Deposit date: | 2022-09-20 | | Release date: | 2023-08-09 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | ToxR activates the Vibrio cholerae virulence genes by tethering DNA to the membrane through versatile binding to multiple sites.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8B4B
 | | ToxR bacterial transcriptional regulator bound to 19 bp ompU promoter DNA | | Descriptor: | AMMONIUM ION, CADMIUM ION, Cholera toxin transcriptional activator, ... | | Authors: | Canals, A, Pieretti, S, Muriel, M, El Yaman, N, Fabrega-Ferrer, M, Perez-Luque, R, Krukonis, E.S, Coll, M. | | Deposit date: | 2022-09-20 | | Release date: | 2023-08-09 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | ToxR activates the Vibrio cholerae virulence genes by tethering DNA to the membrane through versatile binding to multiple sites.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8B4D
 | | ToxR bacterial transcriptional regulator bound to 40 bp toxT promoter DNA | | Descriptor: | Cholera toxin transcriptional activator, DNA (40-MER) | | Authors: | Canals, A, Pieretti, S, Muriel, M, El Yaman, N, Fabrega-Ferrer, M, Perez-Luque, R, Krukonis, E.S, Coll, M. | | Deposit date: | 2022-09-20 | | Release date: | 2023-08-09 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | ToxR activates the Vibrio cholerae virulence genes by tethering DNA to the membrane through versatile binding to multiple sites.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8BJJ
 | | ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo MARTX toxin, bound to ATP-Mg-actin, human profilin 1 and a sulfate ion | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | | Authors: | Teixeira-Nunes, M, Renault, L, Retailleau, P. | | Deposit date: | 2022-11-04 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.699 Å) | | Cite: | Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin.
Plos Pathog., 19, 2023
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6H5X
 | | Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with Omapatrilat. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Cozier, G.E, Acharya, K.R. | | Deposit date: | 2018-07-25 | | Release date: | 2018-11-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular Basis for Multiple Omapatrilat Binding Sites within the ACE C-Domain: Implications for Drug Design.
J. Med. Chem., 61, 2018
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6HPE
 | | Crystal structure of glutathione transferase Omega 3S from Trametes versicolor in complex with the glutathione adduct of phenethyl-isothiocyanate | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Schwartz, M, Favier, F, Didierjean, C. | | Deposit date: | 2018-09-20 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The structure of Trametes versicolor glutathione transferase Omega 3S bound to its conjugation product glutathionyl-phenethylthiocarbamate reveals plasticity of its active site.
Protein Sci., 28, 2019
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6HTV
 | | Crystal structure of Leuconostoc citreum NRRL B-1299 N-terminally truncated dextransucrase DSR-M in complex with isomaltotetraose | | Descriptor: | Alternansucrase, CALCIUM ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose | | Authors: | Claverie, M, Cioci, G, Remaud-Simeon, M, Moulis, C, Lippens, G. | | Deposit date: | 2018-10-04 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Futile Encounter Engineering of the DSR-M Dextransucrase Modifies the Resulting Polymer Length.
Biochemistry, 58, 2019
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8B9I
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8B9G
 | | Cryo-EM structure of MLE in complex with ADP:AlF4 and U10 RNA | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Dosage compensation regulator, RNA (5'-R(P*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3'), ... | | Authors: | Jagtap, P.K.A, Hennig, J. | | Deposit date: | 2022-10-06 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.86 Å) | | Cite: | Structural basis of RNA-induced autoregulation of the DExH-type RNA helicase maleless.
Mol.Cell, 83, 2023
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8B9K
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8B9J
 | | Cryo-EM structure of MLE in complex with ADP:AlF4 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Dosage compensation regulator, MAGNESIUM ION, ... | | Authors: | Jagtap, P.K.A, Hennig, J. | | Deposit date: | 2022-10-06 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Structural basis of RNA-induced autoregulation of the DExH-type RNA helicase maleless.
Mol.Cell, 83, 2023
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8QDO
 | | Crystal structure of the tegument protein UL82 (pp71) from Human Cytomegalovirus | | Descriptor: | Protein pp71, TETRAETHYLENE GLYCOL | | Authors: | Bresch, I.P, Eberhage, J, Reubold, T.F, Eschenburg, S. | | Deposit date: | 2023-08-30 | | Release date: | 2024-02-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of the tegument protein UL82 (pp71) from human cytomegalovirus.
Protein Sci., 33, 2024
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