8IHW
 
 | | X-ray crystal structure of D43R mutant of endo-1,4-beta glucanase from Eisenia fetida | | Descriptor: | CALCIUM ION, Endoglucanase, GLYCEROL, ... | | Authors: | Kuroki, C, Hirano, Y, Nakazawa, M, Sakamoto, T, Tamada, T, Ueda, M. | | Deposit date: | 2023-02-24 | | Release date: | 2023-12-06 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A single mutation Asp43Arg was increased 2.5-fold the catalytic activity and maintained the stability of cold-adapted endo-1,4-beta glucanase (Ef-EG2) from Eisenia fetida.
Curr Res Biotechnol, 5, 2023
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7P1P
 | | Crystal structure of human acetylcholinesterase in complex with (E)-3-hydroxy-6-(3-(4-(4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)butyl)-1H-1,2,3-triazol-1-yl)propyl)picolinaldehyde oxime | | Descriptor: | (2R,3R,4S,5S,6R)-2-[4-[1-[3-[6-[(Z)-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]propyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | | Authors: | Ophelie, D.S, Jose, D, Florian, N. | | Deposit date: | 2021-07-02 | | Release date: | 2021-12-29 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | A New Class of Bi- and Trifunctional Sugar Oximes as Antidotes against Organophosphorus Poisoning.
J.Med.Chem., 65, 2022
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8IHX
 | | X-ray crystal structure of N372D mutant of endo-1,4-beta glucanase from Eisenia fetida | | Descriptor: | CALCIUM ION, Endoglucanase, GLYCEROL, ... | | Authors: | Kuroki, C, Hirano, Y, Nakazawa, M, Sakamoto, T, Tamada, T, Ueda, M. | | Deposit date: | 2023-02-24 | | Release date: | 2023-12-06 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A single mutation Asp43Arg was increased 2.5-fold the catalytic activity and maintained the stability of cold-adapted endo-1,4-beta glucanase (Ef-EG2) from Eisenia fetida.
Curr Res Biotechnol, 5, 2023
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8IHY
 | | X-ray crystal structure of Q387E mutant of endo-1,4-beta glucanase from Eisenia fetida | | Descriptor: | CALCIUM ION, Endoglucanase, GLYCEROL, ... | | Authors: | Kuroki, C, Hirano, Y, Nakazawa, M, Sakamoto, T, Tamada, T, Ueda, M. | | Deposit date: | 2023-02-24 | | Release date: | 2023-12-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A single mutation Asp43Arg was increased 2.5-fold the catalytic activity and maintained the stability of cold-adapted endo-1,4-beta glucanase (Ef-EG2) from Eisenia fetida.
Curr Res Biotechnol, 5, 2023
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8DIS
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5U3F
 | | Structure of Mycobacterium tuberculosis IlvE, a branched-chain amino acid transaminase, in complex with D-cycloserine derivative | | Descriptor: | (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, Branched-chain-amino-acid aminotransferase | | Authors: | Favrot, L, Amorim Franco, T.M, Blanchard, J.S. | | Deposit date: | 2016-12-02 | | Release date: | 2017-03-22 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.695 Å) | | Cite: | Mechanism-Based Inhibition of the Mycobacterium tuberculosis Branched-Chain Aminotransferase by d- and l-Cycloserine.
ACS Chem. Biol., 12, 2017
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6UB7
 | | Crystal structure of a GH128 (subgroup V) exo-beta-1,3-glucanase from Cryptococcus neoformans (CnGH128_V) | | Descriptor: | Glyco_hydro_cc domain-containing protein, POTASSIUM ION | | Authors: | Santos, C.R, Costa, P.A.C.R, Murakami, M.T. | | Deposit date: | 2019-09-11 | | Release date: | 2020-05-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
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5FWA
 | | Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 with CP1 | | Descriptor: | 1,2-ETHANEDIOL, 9-(6-carbamimidamido-5,6-dideoxy-beta-D-ribo-hexofuranosyl)-9H-purin-6-amine, CALCIUM ION, ... | | Authors: | Cura, V, Troffer-Charlier, N, Marechal, N, Bonnefond, L, Cavarelli, J. | | Deposit date: | 2016-02-16 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural studies of protein arginine methyltransferase 2 reveal its interactions with potential substrates and inhibitors.
FEBS J., 284, 2017
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6QEF
 | | CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR (S)-3-Hydroxy-2-oxo-1-phenyl-pyrrolidine-3-carboxylic acid 3-chloro-5-fluoro-benzylamide | | Descriptor: | (3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ... | | Authors: | Musil, D, Heinrich, T, Lehmann, M. | | Deposit date: | 2019-01-07 | | Release date: | 2019-05-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery and Structure-Based Optimization of Next-Generation Reversible Methionine Aminopeptidase-2 (MetAP-2) Inhibitors.
J.Med.Chem., 62, 2019
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8IGI
 | | Crystal structure of HP1526 (XthA)- a base excision DNA repair protein in Helicobacter pylori | | Descriptor: | 1,3-BUTANEDIOL, Exodeoxyribonuclease (LexA), MANGANESE (II) ION | | Authors: | Dinh, T.T, Dao, O, Lee, K.H. | | Deposit date: | 2023-02-20 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Crystal structure of the apurinic/apyrimidinic endonuclease XthA (HP1526 protein) from Helicobacter pylori.
Biochem.Biophys.Res.Commun., 663, 2023
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4ZKN
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7BO2
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7BM7
 | | Notum fragment 5e | | Descriptor: | 1-Naphthalenepentanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2021-01-19 | | Release date: | 2022-03-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Notum Inhibitor
To Be Published
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7BLI
 | | Notum-Bepridil complex | | Descriptor: | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2021-01-18 | | Release date: | 2022-03-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Notum Fragment Screen
To Be Published
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5CQS
 | | Dimerization of Elp1 is essential for Elongator complex assembly | | Descriptor: | Elongator complex protein 1 | | Authors: | Lin, Z, Xu, H, Li, F, Diao, W, Long, J, Shen, Y. | | Deposit date: | 2015-07-22 | | Release date: | 2015-08-19 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Dimerization of elongator protein 1 is essential for Elongator complex assembly.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6QIU
 | | Crystal structure of 14-3-3 sigma in complex with Ataxin-1 Ser776 phosphopeptide | | Descriptor: | 14-3-3 protein sigma, Ataxin-1 phosphopeptide, CHLORIDE ION, ... | | Authors: | Leysen, S, Milroy, L.G, Davis, J.M, Brunsveld, L, Ottmann, C. | | Deposit date: | 2019-01-21 | | Release date: | 2020-05-13 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.802 Å) | | Cite: | Structural insights into the cytoplasmic chaperone effect of 14-3-3 proteins on Ataxin-1
To Be Published
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7BI6
 | | PI3KC2a core in complex with ATP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Lo, W.T, Roske, Y, Daumke, O, Haucke, V. | | Deposit date: | 2021-01-12 | | Release date: | 2022-03-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural basis of phosphatidylinositol 3-kinase C2 alpha function.
Nat.Struct.Mol.Biol., 29, 2022
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7BI4
 | | PI3KC2a core apo | | Descriptor: | 1,2-ETHANEDIOL, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha,Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha, SULFATE ION | | Authors: | Lo, W.T, Roske, Y, Daumke, O, Haucke, V. | | Deposit date: | 2021-01-12 | | Release date: | 2022-03-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structural basis of phosphatidylinositol 3-kinase C2 alpha function.
Nat.Struct.Mol.Biol., 29, 2022
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6UII
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6BCB
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6QFC
 | | Structure of an anti-Mcl1 scFv | | Descriptor: | DIMETHYL SULFOXIDE, Induced myeloid leukemia cell differentiation protein Mcl-1, scFv55 | | Authors: | Luptak, J. | | Deposit date: | 2019-01-09 | | Release date: | 2019-11-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1.
Acta Crystallogr D Struct Biol, 75, 2019
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9FZS
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9FZR
 | | Wild-type EGFR in covalent complex with Poziotinib analogue | | Descriptor: | 1-[(3~{S})-3-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypyrrolidin-1-yl]propan-1-one, Epidermal growth factor receptor | | Authors: | Anthony, N, Pintar, S, Noble, M.E.N, Martin, M.P. | | Deposit date: | 2024-07-05 | | Release date: | 2025-07-16 | | Method: | X-RAY DIFFRACTION (1.991 Å) | | Cite: | Insights into structure-reactivity-activity relationships for covalent inhibitors from profiling the EGFR activity of poziotinib analogues
To Be Published
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5TP4
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6I46
 | | Structure of P. aeruginosa LpxC with compound 8: (2RS)-4-(5-(2-Fluoro-4-methoxyphenyl)-2-oxooxazol-3(2H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide | | Descriptor: | (2~{R})-4-[5-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-1,3-oxazol-3-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, GLYCEROL, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | Authors: | Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G. | | Deposit date: | 2018-11-09 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
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