7APV
| Structure of Artemis/DCLRE1C/SNM1C in complex with Ceftriaxone | Descriptor: | 1,2-ETHANEDIOL, Ceftriaxone, NICKEL (II) ION, ... | Authors: | Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O. | Deposit date: | 2020-10-20 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition. Nucleic Acids Res., 49, 2021
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7AF1
| The structure of Artemis/SNM1C/DCLRE1C with 2 Zinc ions | Descriptor: | 1,2-ETHANEDIOL, Protein artemis, ZINC ION | Authors: | Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-19 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition. Nucleic Acids Res., 49, 2021
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7AFU
| The structure of Artemis variant H33A | Descriptor: | 1,2-ETHANEDIOL, Protein artemis, ZINC ION | Authors: | Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-20 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition. Nucleic Acids Res., 49, 2021
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7A1F
| Crystal structure of human 5' exonuclease Appollo in complex with 5'dAMP | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 5' exonuclease Apollo, FE (III) ION, ... | Authors: | Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-08-12 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family. Nucleic Acids Res., 49, 2021
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4ZVR
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6ZSL
| Crystal structure of the SARS-CoV-2 helicase at 1.94 Angstrom resolution | Descriptor: | PHOSPHATE ION, SARS-CoV-2 helicase NSP13, ZINC ION | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Arrowsmith, C.H, von Delft, F, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-07-15 | Release date: | 2020-07-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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7ATF
| Structure of EstD11 in complex with p-Nitrophenol | Descriptor: | ACETATE ION, EstD11, FORMIC ACID, ... | Authors: | Miguel-Ruano, V, Rivera, I, Hermoso, J.A. | Deposit date: | 2020-10-30 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family. Comput Struct Biotechnol J, 19, 2021
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7AV5
| Structure of EstD11 in complex with Fluorescein | Descriptor: | ACETATE ION, EstD11, FLUORESCIN, ... | Authors: | Miguel-Ruano, V, Rivera, I, Hermoso, J.A. | Deposit date: | 2020-11-04 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family. Comput Struct Biotechnol J, 19, 2021
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7AT0
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7APN
| Structure of Lipase TL from bulk agarose grown crystal | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Lipase, ... | Authors: | Gavira, J.A, Martinez-Rodriguez, S, Fernande-Penas, R, Verdugo-Escamilla, C. | Deposit date: | 2020-10-19 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Production of Cross-Linked Lipase Crystals at a Preparative Scale. Cryst.Growth Des., 21, 2021
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7AT4
| Structure of EstD11 in complex with Naproxen | Descriptor: | (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, EstD11, FORMIC ACID | Authors: | Miguel-Ruano, V, Rivera, I, Hermoso, J.A. | Deposit date: | 2020-10-28 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family. Comput Struct Biotechnol J, 19, 2021
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7APP
| Structure of Lipase TL from capillary grown crystal in the presence of agarose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, Lipase, ... | Authors: | Gavira, J.A, Martinez-Rodriguez, S, Fernande-Penas, R, Verdugo-Escamilla, C. | Deposit date: | 2020-10-19 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Production of Cross-Linked Lipase Crystals at a Preparative Scale. Cryst.Growth Des., 21, 2021
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7ATQ
| Structure of EstD11 in complex with cyclohexane carboxylic acid | Descriptor: | ACETATE ION, EstD11, FORMIC ACID, ... | Authors: | Miguel-Ruano, V, Rivera, I, Hermoso, J.A. | Deposit date: | 2020-10-30 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family. Comput Struct Biotechnol J, 19, 2021
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7AUY
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7AT2
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7AT3
| Structure of EstD11 in complex with Naproxen and methanol | Descriptor: | (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, EstD11, FORMIC ACID, ... | Authors: | Miguel-Ruano, V, Rivera, I, Hermoso, J.A. | Deposit date: | 2020-10-28 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family. Comput Struct Biotechnol J, 19, 2021
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7ATD
| Structure of inactive EstD11 S144A in complex with methyl-naproxen | Descriptor: | ACETATE ION, EstD11 S144A, FORMIC ACID, ... | Authors: | Miguel-Ruano, V, Rivera, I, Hermoso, J.A. | Deposit date: | 2020-10-29 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family. Comput Struct Biotechnol J, 19, 2021
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6Z63
| FtsE structure from Streptococus pneumoniae in complex with ADP at 1.57 A resolution (spacegroup P 21) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division ATP-binding protein FtsE | Authors: | Alcorlo, M, Straume, D, Havarstein, L.S, Hermoso, J.A. | Deposit date: | 2020-05-27 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structural Characterization of the Essential Cell Division Protein FtsE and Its Interaction with FtsX in Streptococcus pneumoniae. Mbio, 11, 2020
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6Z67
| FtsE structure of Streptococcus pneumoniae in complex with AMPPNP at 2.4 A resolution | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division ATP-binding protein FtsE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Alcorlo, M, Straume, D, Havarstein, L.S, Hermoso, j.A. | Deposit date: | 2020-05-28 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Characterization of the Essential Cell Division Protein FtsE and Its Interaction with FtsX in Streptococcus pneumoniae. Mbio, 11, 2020
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5HRX
| Crystal structure of the fifth bromodomain of human PB1 in complex with 1-butylisochromeno[3,4-c]pyrazol-5(2H)-one) compound | Descriptor: | 1,2-ETHANEDIOL, 1-butylisochromeno[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1 | Authors: | Tallant, C, Myrianthopoulos, V, Gaboriaud-Kolar, N, Newman, J.A, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Mikros, E, Knapp, S. | Deposit date: | 2016-01-24 | Release date: | 2016-10-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis. J.Med.Chem., 59, 2016
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7A2D
| Structure-function analyses of dual-BON domain protein DolP identifies phospholipid binding as a new mechanism for protein localisation to the cell division site | Descriptor: | Uncharacterized protein YraP | Authors: | Bryant, J.A, Morris, F.C, Knowles, T.J, Maderbocus, R, Heinz, E, Boelter, G, Alodaini, D, Colyer, A, Wotherspoon, P.J, Staunton, K.A, Jeeves, M, Browning, D.F, Sevastsyanovich, Y.R, Wells, T.J, Rossiter, A.E, Bavro, V.N, Sridhar, P, Ward, D.G, Chong, Z.S, Goodall, E.C.A, Icke, C, Teo, A, Chng, S.S, Roper, D.I, Lithgow, T, Cunningham, A.F, Banzhaf, M, Overduin, M, Henderson, I.R. | Deposit date: | 2020-08-17 | Release date: | 2020-12-30 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of dual BON-domain protein DolP identifies phospholipid binding as a new mechanism for protein localisation. Elife, 9, 2020
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7AJZ
| The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae in complex with NAG-NAM(tetrapeptide) | Descriptor: | 1,2-ETHANEDIOL, L,D-transpeptidase YcbB, NAG-NAM(tetrapeptide), ... | Authors: | Batuecas, M.T, Hermoso, J.A. | Deposit date: | 2020-09-29 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae in complex with NAG-NAM(tetrapeptide) To Be Published
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7AGZ
| BsrV no-histagged | Descriptor: | Broad specificity amino-acid racemase, CHLORIDE ION, GLYCEROL, ... | Authors: | Carrasco-Lopez, C, Rojas-Altuve, A, Espaillat, A, Cava, F, Hermoso, J.A. | Deposit date: | 2020-09-23 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Binding of non-canonical peptidoglycan controls Vibrio cholerae broad spectrum racemase activity. Comput Struct Biotechnol J, 19, 2021
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7AJO
| The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae in complex with the cross-linking reaction intermediate | Descriptor: | (2~{S},6~{S})-2-azanyl-6-[[(4~{R})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid, 1,2-ETHANEDIOL, L,D-transpeptidase YcbB | Authors: | Batuecas, M.T, Hermoso, J.A. | Deposit date: | 2020-09-29 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae in complex with the cross-linking reaction intermediate To Be Published
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7AJX
| The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae in complex with meropenem | Descriptor: | (2S,3R,4S)-4-{[(3S,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, L,D-transpeptidase YcbB | Authors: | Batuecas, M.T, Hermoso, J.A. | Deposit date: | 2020-09-29 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae in complex with meropenem To Be Published
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