7FJ8
 
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7FJ9
 | | KpAckA (PduW) with AMPPNP complex structure | | Descriptor: | ACETATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable propionate kinase | | Authors: | Wu, W, Zhang, Q, Bartlam, M. | | Deposit date: | 2021-08-03 | | Release date: | 2022-08-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | KpAckA (PduW) with AMPPNP complex structure
To Be Published
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7FJB
 | | KpAckA (PduW) with AMPPNP, sodium acetate complex structure | | Descriptor: | ACETATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable propionate kinase, ... | | Authors: | Wenyue, W, Zhang, Q, Bartlam, M. | | Deposit date: | 2021-08-03 | | Release date: | 2022-08-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | KpAckA (PduW) with AMPPNP, sodium acetate complex structure
To Be Published
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7D54
 | | Crstal structure MsGATase with Gln | | Descriptor: | GLUTAMINE, Glutamine amidotransferase class-I | | Authors: | Chen, Y, Zhang, Q, Bartlam, M. | | Deposit date: | 2020-09-24 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
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7D4R
 | | SpuA native structure | | Descriptor: | MAGNESIUM ION, Probable glutamine amidotransferase | | Authors: | Chen, Y, Zhang, Q, Bartlam, M. | | Deposit date: | 2020-09-24 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
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7D50
 | | SpuA mutant - H221N with glutamyl-thioester | | Descriptor: | MAGNESIUM ION, Probable glutamine amidotransferase | | Authors: | Chen, Y, Zhang, Q, Bartlam, M. | | Deposit date: | 2020-09-24 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
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7D53
 | | SpuA mutant - H221N with Glu | | Descriptor: | GLUTAMIC ACID, MAGNESIUM ION, Probable glutamine amidotransferase | | Authors: | Chen, Y, Zhang, Q, Bartlam, M. | | Deposit date: | 2020-09-24 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
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7FJA
 | | KpAckA (PduW) with AMPPNP, ethylene glycol complex structure | | Descriptor: | 1,2-ETHANEDIOL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable propionate kinase | | Authors: | Wu, W, Zhang, Q, Bartlam, M. | | Deposit date: | 2021-08-03 | | Release date: | 2022-08-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | KpAckA (PduW) with AMPPNP, ethylene glycol complex structure
To Be Published
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7EPO
 | | Ketosteroid Isomerase KSI with 5-nitrobenzoxazole (5NBI) | | Descriptor: | 5-nitro-1,2-benzoxazole, SnoaL-like domain-containing protein | | Authors: | Liang, Y, Zhang, Q, Bartlam, M. | | Deposit date: | 2021-04-27 | | Release date: | 2021-12-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural characterization and Kemp eliminase activity of the Mycobacterium smegmatis Ketosteroid Isomerase.
Biochem.Biophys.Res.Commun., 560, 2021
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7EPN
 | | Ketosteroid Isomerase KSI native | | Descriptor: | SnoaL-like domain-containing protein | | Authors: | Liang, Y, Zhang, Q, Bartlam, M. | | Deposit date: | 2021-04-27 | | Release date: | 2021-12-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural characterization and Kemp eliminase activity of the Mycobacterium smegmatis Ketosteroid Isomerase.
Biochem.Biophys.Res.Commun., 560, 2021
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1R85
 | | Crystal structure of the extracellular xylanase from Geobacillus stearothermophilus T-6 (XT6): The WT enzyme (monoclinic form) at 1.45A resolution | | Descriptor: | CHLORIDE ION, Endo-1,4-beta-xylanase, GLYCEROL, ... | | Authors: | Bar, M, Golan, G, Nechama, M, Zolotnitsky, G, Shoham, Y, Shoham, G. | | Deposit date: | 2003-10-23 | | Release date: | 2004-07-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Mapping glycoside hydrolase substrate subsites by isothermal titration calorimetry.
Proc.Natl.Acad.Sci.Usa, 101, 2004
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1R87
 | | Crystal structure of the extracellular xylanase from Geobacillus stearothermophilus T-6 (XT6, monoclinic form): The complex of the WT enzyme with xylopentaose at 1.67A resolution | | Descriptor: | CHLORIDE ION, Endo-1,4-beta-xylanase, SULFATE ION, ... | | Authors: | Bar, M, Golan, G, Zolotnitsky, G, Shoham, Y, Shoham, G. | | Deposit date: | 2003-10-23 | | Release date: | 2004-07-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Mapping glycoside hydrolase substrate subsites by isothermal titration calorimetry.
Proc.Natl.Acad.Sci.Usa, 101, 2004
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6TJU
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8A9T
 | | Tubulin-[1,2]oxazoloisoindole-1 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Prota, A.E, Abel, A.-C, Steinmetz, M.O, Barraja, P, Montalbano, A, Spano, V. | | Deposit date: | 2022-06-29 | | Release date: | 2022-11-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.304 Å) | | Cite: | Development of [1,2]oxazoloisoindoles tubulin polymerization inhibitors: Further chemical modifications and potential therapeutic effects against lymphomas.
Eur.J.Med.Chem., 243, 2022
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8A9Z
 | | Tubulin-[1,2]oxazoloisoindole-2e complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7-[(3,5-dimethoxyphenyl)methyl]pyrrolo[3,4-g][1,2]benzoxazole, CALCIUM ION, ... | | Authors: | Prota, A.E, Abel, A.-C, Steinmetz, M.O, Barraja, P, Montalbano, A, Spano, V. | | Deposit date: | 2022-06-29 | | Release date: | 2022-11-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.294 Å) | | Cite: | Development of [1,2]oxazoloisoindoles tubulin polymerization inhibitors: Further chemical modifications and potential therapeutic effects against lymphomas.
Eur.J.Med.Chem., 243, 2022
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8F22
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7PEL
 | | CryoEM structure of simian T-cell lymphotropic virus intasome in complex with PP2A regulatory subunit B56 gamma | | Descriptor: | DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), Isoform 3 of PC4 and SFRS1-interacting protein,Isoform Gamma-2 of Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit gamma isoform, ... | | Authors: | Barski, M, Pye, V.E, Nans, A, Cherepanov, P, Maertens, G.N. | | Deposit date: | 2021-08-10 | | Release date: | 2021-08-25 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | Cryo-EM structure of the deltaretroviral intasome in complex with the PP2A regulatory subunit B56gamma.
Nat Commun, 11, 2020
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8B02
 | | Crystal structure of the dsRBD domain of tRNA-dihydrouridine(20) synthase from Amphimedon queenslandica | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, DRBM domain-containing protein, ... | | Authors: | Pecqueur, L, Faivre, B, Hamdane, D. | | Deposit date: | 2022-09-07 | | Release date: | 2022-11-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.676 Å) | | Cite: | Evolutionary Diversity of Dus2 Enzymes Reveals Novel Structural and Functional Features among Members of the RNA Dihydrouridine Synthases Family.
Biomolecules, 12, 2022
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5OOO
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6G78
 | | RSK4 N-terminal Kinase Domain S232E in complex with AMP-PNP | | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-6 | | Authors: | Prischi, F, Ali, M.M. | | Deposit date: | 2018-04-04 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Repurposed floxacins targeting RSK4 prevent chemoresistance and metastasis in lung and bladder cancer.
Sci Transl Med, 13, 2021
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6G77
 | | RSK4 N-terminal Kinase Domain in complex with AMP-PNP | | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-6, ZINC ION | | Authors: | Prischi, F, Ali, M.M. | | Deposit date: | 2018-04-04 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.499 Å) | | Cite: | Repurposed floxacins targeting RSK4 prevent chemoresistance and metastasis in lung and bladder cancer.
Sci Transl Med, 13, 2021
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6G76
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7ABU
 | | Structure of SARS-CoV-2 Main Protease bound to RS102895 | | Descriptor: | 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | | Authors: | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Lane, T.J, Dunkel, I, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | Deposit date: | 2020-09-08 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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4GBQ
 | | SOLUTION NMR STRUCTURE OF THE GRB2 N-TERMINAL SH3 DOMAIN COMPLEXED WITH A TEN-RESIDUE PEPTIDE DERIVED FROM SOS DIRECT REFINEMENT AGAINST NOES, J-COUPLINGS, AND 1H AND 13C CHEMICAL SHIFTS, 15 STRUCTURES | | Descriptor: | GRB2, SOS-1 | | Authors: | Wittekind, M, Mapelli, C, Lee, V, Goldfarb, V, Friedrichs, M.S, Meyers, C.A, Mueller, L. | | Deposit date: | 1996-12-23 | | Release date: | 1997-09-04 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the Grb2 N-terminal SH3 domain complexed with a ten-residue peptide derived from SOS: direct refinement against NOEs, J-couplings and 1H and 13C chemical shifts.
J.Mol.Biol., 267, 1997
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6GL0
 | | Structure of ZgEngAGH5_4 in complex with a cellotriose | | Descriptor: | Endoglucanase, family GH5, MAGNESIUM ION, ... | | Authors: | Dorival, J, Ruppert, S, Gunnoo, M, Orlowski, A, Chapelais, M, Dabin, J, Labourel, A, Thompson, D, Michel, G, Czjzek, M, Genicot, S. | | Deposit date: | 2018-05-22 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The laterally acquired GH5ZgEngAGH5_4from the marine bacteriumZobellia galactanivoransis dedicated to hemicellulose hydrolysis.
Biochem. J., 475, 2018
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