6YQV
 
 | | Thrombin in complex with 5-chlorothiophene-2-sulfonamide (j94) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-chloranylthiophene-2-sulfonamide, DIMETHYL SULFOXIDE, ... | | Authors: | Scanlan, W, Heine, A, Klebe, G, Abazi, N. | | Deposit date: | 2020-04-18 | | Release date: | 2021-04-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Thrombin in complex with 5-chlorothiophene-2-sulfonamide (j94)
To be published
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8D29
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5LSH
 | | human lysozyme in complex with a tetrasaccharide fragment of the O-chain of LPS from Klebsiella pneumoniae | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | | Authors: | Zhang, R, Nifantiev, N.E, Krylov, V, Luetteke, T, Scheidig, A.J, Siebert, H.-C. | | Deposit date: | 2016-08-26 | | Release date: | 2017-06-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.061 Å) | | Cite: | Lysozyme's lectin-like characteristics facilitates its immune defense function.
Q. Rev. Biophys., 50, 2017
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7A0L
 | | Joint neutron/X-ray room temperature structure of perdeuterated Aspergillus flavus urate oxidase in complex with the 8-azaxanthine inhibitor and catalytic water bound in the peroxo hole | | Descriptor: | 8-AZAXANTHINE, SODIUM ION, Uricase | | Authors: | McGregor, L, Bui, S, Blakeley, M.P, Steiner, R.A. | | Deposit date: | 2020-08-09 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (1.33 Å), X-RAY DIFFRACTION | | Cite: | Joint neutron/X-ray crystal structure of a mechanistically relevant complex of perdeuterated urate oxidase and simulations provide insight into the hydration step of catalysis.
Iucrj, 8, 2021
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8D38
 | | Structure of a purine nucleoside phosphorylase from Geobacillus stearothermophilus | | Descriptor: | Purine nucleoside phosphorylase, SODIUM ION | | Authors: | Given, F, Johnston, J, Crittenden, D, Moran, F, Johns, A. | | Deposit date: | 2022-05-31 | | Release date: | 2022-12-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | The structure of His-tagged Geobacillus stearothermophilus purine nucleoside phosphorylase reveals a 'spanner in the works'.
Acta Crystallogr.,Sect.F, 78, 2022
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6VEA
 | | Structure of the Glutamate-Like Receptor GLR3.2 ligand-binding domain in complex with Glycine | | Descriptor: | BETA-MERCAPTOETHANOL, GLYCINE, Glutamate receptor 3.2, ... | | Authors: | Gangwar, S.P, Green, M.N, Yoder, J.B, Sobolevsky, A.I. | | Deposit date: | 2019-12-30 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structure of the Arabidopsis Glutamate Receptor-like Channel GLR3.2 Ligand-Binding Domain.
Structure, 29, 2021
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8D4O
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2YMS
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7TWA
 | | Crystal structure of apo BesC from Streptomyces cattleya | | Descriptor: | 1,3-BUTANEDIOL, 4-chloro-allylglycine synthase, ACETATE ION, ... | | Authors: | Neugebauer, M.E, McBride, M.J, Boal, A.K, Chang, M.C.Y. | | Deposit date: | 2022-02-07 | | Release date: | 2022-04-13 | | Last modified: | 2022-04-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Substrate-Triggered mu-Peroxodiiron(III) Intermediate in the 4-Chloro-l-Lysine-Fragmenting Heme-Oxygenase-like Diiron Oxidase (HDO) BesC: Substrate Dissociation from, and C4 Targeting by, the Intermediate.
Biochemistry, 61, 2022
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8DJF
 | | Crystal structure of RPA3624, a beta-propeller lactonase from Rhodopseudomonas palustris, with active-site bound tetrahedral intermediate | | Descriptor: | (5S)-5-methyloxolane-2,2-diol, CALCIUM ION, Gluconolactonase, ... | | Authors: | Bingman, C.A, Hall, B.W, Smith, R.W, Fox, B.G, Donohue, T.J. | | Deposit date: | 2022-06-30 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A broad specificity beta-propeller enzyme from Rhodopseudomonas palustris that hydrolyzes many lactones including gamma-valerolactone.
J.Biol.Chem., 299, 2022
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6YYI
 | | Crystal structure of beta-D-xylosidase from Dictyoglomus thermophilum bound to beta-D-xylopyranose | | Descriptor: | 1,2-ETHANEDIOL, Beta-xylosidase, CITRIC ACID, ... | | Authors: | Lafite, P, Daniellou, R, Bretagne, D. | | Deposit date: | 2020-05-05 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Crystal structure of Dictyoglomus thermophilum beta-d-xylosidase DtXyl unravels the structural determinants for efficient notoginsenoside R1 hydrolysis.
Biochimie, 181, 2020
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8DJZ
 | | Crystal structure of RPA3624, a beta-propeller lactonase from Rhodopseudomonas palustris, with active-site bound product | | Descriptor: | (4R)-4-hydroxypentanoic acid, CALCIUM ION, Gluconolactonase, ... | | Authors: | Bingman, C.A, Hall, B.W, Smith, R.W, Fox, B.G, Donohue, T.J. | | Deposit date: | 2022-07-01 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A broad specificity beta-propeller enzyme from Rhodopseudomonas palustris that hydrolyzes many lactones including gamma-valerolactone.
J.Biol.Chem., 299, 2022
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8DJR
 | | Cytosolic ascorbate peroxidase from Sorghum bicolor | | Descriptor: | L-ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ... | | Authors: | Zhang, B, Kang, C. | | Deposit date: | 2022-07-01 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | A sorghum ascorbate peroxidase with four binding sites has activity against ascorbate and phenylpropanoids.
Plant Physiol., 192, 2023
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7BVQ
 | | Structure of human beta1 adrenergic receptor bound to carazolol | | Descriptor: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, CHOLESTEROL, ... | | Authors: | Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X. | | Deposit date: | 2020-04-11 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR.
Cell Res., 31, 2021
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8DJX
 | | Cytosolic ascorbate peroxidase from Sorghum bicolor - Compound II | | Descriptor: | L-ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ... | | Authors: | Zhang, B, Kang, C. | | Deposit date: | 2022-07-01 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | A sorghum ascorbate peroxidase with four binding sites has activity against ascorbate and phenylpropanoids.
Plant Physiol., 192, 2023
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8DJS
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8DJU
 | | Cytosolic ascorbate peroxidase from Sorghum bicolor - bicyclic dehydroascorbic acid complex | | Descriptor: | (3aS,6S,6aR)-3,3,3a,6-tetrahydroxytetrahydrofuro[3,2-b]furan-2(3H)-one (non-preferred name), L-ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Zhang, B, Kang, C. | | Deposit date: | 2022-07-01 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A sorghum ascorbate peroxidase with four binding sites has activity against ascorbate and phenylpropanoids.
Plant Physiol., 192, 2023
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8DJT
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8CX9
 | | Structure of the SARS-COV2 PLpro (C111S) in complex with a dimeric Ubv that inhibits activity by an unusual allosteric mechanism | | Descriptor: | BROMIDE ION, CHLORIDE ION, Papain-like protease nsp3, ... | | Authors: | Singer, A.U, Slater, C.L, Patel, A, Russel, R, Mark, B.L, Sidhu, S.S. | | Deposit date: | 2022-05-20 | | Release date: | 2023-01-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Ubiquitin variants potently inhibit SARS-CoV-2 PLpro and viral replication via a novel site distal to the protease active site.
Plos Pathog., 18, 2022
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8DJW
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7STU
 | | Crystal structure of sulfatase from Pedobacter yulinensis | | Descriptor: | BROMIDE ION, CALCIUM ION, N-acetylgalactosamine-6-sulfatase, ... | | Authors: | O'Malley, A, Schlachter, C.R, Grimes, L.L, Tomashek, J.J, Lee, A.L, Chruszcz, M. | | Deposit date: | 2021-11-15 | | Release date: | 2022-01-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Purification, Characterization, and Structural Studies of a Sulfatase from Pedobacter yulinensis .
Molecules, 27, 2021
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7STT
 | | Crystal structure of sulfatase from Pedobacter yulinensis | | Descriptor: | CALCIUM ION, CHLORIDE ION, MALONATE ION, ... | | Authors: | O'Malley, A, Schlachter, C.R, Grimes, L.L, Tomashek, J.J, Lee, A.L, Chruszcz, M. | | Deposit date: | 2021-11-15 | | Release date: | 2022-01-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.603 Å) | | Cite: | Purification, Characterization, and Structural Studies of a Sulfatase from Pedobacter yulinensis .
Molecules, 27, 2021
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5NGL
 | | The endo-beta1,6-glucanase BT3312 | | Descriptor: | 1-DEOXYNOJIRIMYCIN, Glucosylceramidase, SODIUM ION, ... | | Authors: | Basle, A, Temple, M, Cuskin, F, Lowe, E, Gilbert, H. | | Deposit date: | 2017-03-17 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A Bacteroidetes locus dedicated to fungal 1,6-beta-glucan degradation: Unique substrate conformation drives specificity of the key endo-1,6-beta-glucanase.
J. Biol. Chem., 292, 2017
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6ZXX
 | | Catabolic reductive dehalogenase NpRdhA, N-terminally tagged. | | Descriptor: | 3 bromo 4 hydroxybenzoic acid, 3,5-bis(bromanyl)-4-oxidanyl-benzoic acid, BROMIDE ION, ... | | Authors: | Leys, D, Halliwell, T. | | Deposit date: | 2020-07-30 | | Release date: | 2020-09-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Catabolic Reductive Dehalogenase Substrate Complex Structures Underpin Rational Repurposing of Substrate Scope.
Microorganisms, 8, 2020
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7SQ9
 | | Cryo-EM structure of mouse temsirolimus/PI(3,5)P2-bound TRPML1 channel at 2.11 Angstrom resolution | | Descriptor: | (1R,2R,4S)-4-{(2R)-2-[(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30S,34aS)-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,29-pentaoxo-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontin-3-yl]propyl}-2-methoxycyclohexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate, (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gan, N, Han, Y, Jiang, Y. | | Deposit date: | 2021-11-04 | | Release date: | 2022-02-02 | | Last modified: | 2022-02-23 | | Method: | ELECTRON MICROSCOPY (2.11 Å) | | Cite: | Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin.
Proc.Natl.Acad.Sci.USA, 119, 2022
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