3LD0
 
 | | Crystal structure of B.licheniformis Anti-TRAP protein, an antagonist of TRAP-RNA interactions | | Descriptor: | Inhibitor of TRAP, regulated by T-BOX (Trp) sequence RtpA, MAGNESIUM ION, ... | | Authors: | Shevtsov, M.B, Chen, Y, Isupov, M.N, Gollnick, P, Antson, A.A. | | Deposit date: | 2010-01-12 | | Release date: | 2010-02-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Bacillus licheniformis Anti-TRAP can assemble into two types of dodecameric particles with the same symmetry but inverted orientation of trimers.
J.Struct.Biol., 170, 2010
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7QYE
 | | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 78 | | Descriptor: | 1-[4-cyclopentyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A | | Authors: | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | | Deposit date: | 2022-01-28 | | Release date: | 2022-09-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
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6EFJ
 | | Crystal structure of NDM-1 with compound 9 | | Descriptor: | (2R)-2-phenyl-2-(phenylamino)-N-(1H-tetrazol-5-yl)acetamide, Metallo-beta-lactamase type 2, ZINC ION | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2018-08-16 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
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5JBN
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5MLO
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6Y94
 | | Ca2+-bound Calmodulin mutant N53I | | Descriptor: | CALCIUM ION, Calmodulin | | Authors: | Holt, C, Nielsen, L.H, Lau, K, Brohus, M, Sorensen, A.B, Larsen, K.T, Sommer, C, Petegem, F.V, Overgaard, M.T, Wimmer, R. | | Deposit date: | 2020-03-06 | | Release date: | 2020-04-29 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | The arrhythmogenic N53I variant subtly changes the structure and dynamics in the calmodulin N-terminal domain, altering its interaction with the cardiac ryanodine receptor.
J.Biol.Chem., 295, 2020
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7M5B
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6S11
 | | Crystal Structure of DYRK1A with small molecule inhibitor | | Descriptor: | 6-pyridin-4-yl-3-[3-(trifluoromethyloxy)phenyl]imidazo[1,2-b]pyridazine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | Authors: | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | | Deposit date: | 2019-06-18 | | Release date: | 2019-06-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.445 Å) | | Cite: | Kinase Scaffold Repurposing in the Public Domain
To be published
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6AWL
 | | Crystal structure of human Coq9 | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Ubiquinone biosynthesis protein COQ9, ... | | Authors: | Bingman, C.A, Lohman, D.C, Smith, R.W, Pagliarini, D.J, Mitochondrial Protein Partnership (MPP) | | Deposit date: | 2017-09-05 | | Release date: | 2019-02-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An Isoprene Lipid-Binding Protein Promotes Eukaryotic Coenzyme Q Biosynthesis.
Mol. Cell, 73, 2019
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5MMX
 | | ABA RECEPTOR FROM CITRUS, CSPYL1 | | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, CSPYL1_ABA | | Authors: | Moreno-Alvero, M, Yunta, C, Gonzalez-Guzman, M, Arbona, V, Granell, A, Martinez-Ripoll, M, Infantes, L, Rodriguez, P.L, Moreno-Alvero, M. | | Deposit date: | 2016-12-12 | | Release date: | 2017-08-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.882 Å) | | Cite: | Structure of Ligand-Bound Intermediates of Crop ABA Receptors Highlights PP2C as Necessary ABA Co-receptor.
Mol Plant, 10, 2017
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7MFZ
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5FXU
 | | Crystal Structure of Puumala virus Gn glycoprotein ectodomain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE POLYPROTEIN, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Li, S, Rissanen, I, Zeltina, A, Hepojoki, J, Raghwani, J, Harlos, K, Pybus, O.G, Huiskonen, J.T, Bowden, T.A. | | Deposit date: | 2016-03-02 | | Release date: | 2016-05-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | A Molecular-Level Account of the Antigenic Hantaviral Surface.
Cell Rep., 15, 2016
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6Y4P
 | | Calmodulin N53I variant bound to cardiac ryanodine receptor (RyR2) calmodulin binding domain | | Descriptor: | CALCIUM ION, Calmodulin-1, Ryanodine receptor 2 | | Authors: | Lau, K, Nielsen, L.H, Holt, C, Brohus, M, Sorensen, A.B, Larsen, K.T, Sommer, C, Van Petegem, F, Overgaard, M.T, Wimmer, R. | | Deposit date: | 2020-02-21 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.13325572 Å) | | Cite: | The arrhythmogenic N53I variant subtly changes the structure and dynamics in the calmodulin N-terminal domain, altering its interaction with the cardiac ryanodine receptor.
J.Biol.Chem., 295, 2020
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1B3P
 | | 5'-D(*GP*GP*AP*GP*GP*AP*T)-3' | | Descriptor: | DNA (5'-D(*GP*GP*AP*GP*GP*AP*T)-3') | | Authors: | Kettani, A, Bouaziz, S, Skripkin, E, Majumdar, A, Wang, W, Jones, R.A, Patel, D.J. | | Deposit date: | 1998-12-14 | | Release date: | 1999-08-31 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Interlocked mismatch-aligned arrowhead DNA motifs.
Structure Fold.Des., 7, 1999
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6ANU
 | | Cryo-EM structure of F-actin complexed with the beta-III-spectrin actin-binding domain | | Descriptor: | Actin, cytoplasmic 1, Spectrin beta chain, ... | | Authors: | Wang, F, Orlova, A, Avery, A.W, Hays, T.S, Egelman, E.H. | | Deposit date: | 2017-08-14 | | Release date: | 2017-11-22 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (7 Å) | | Cite: | Structural basis for high-affinity actin binding revealed by a beta-III-spectrin SCA5 missense mutation.
Nat Commun, 8, 2017
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4QSC
 | | Crystal structure of ATU4361 sugar transporter from Agrobacterium Fabrum C58, target efi-510558, with bound maltose | | Descriptor: | ABC-TYPE SUGAR TRANSPORTER, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-07-03 | | Release date: | 2014-07-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal Structure of Maltoside Transporter Atu4361 from Agrobacterium Fabrum, Target Efi-510558
To be Published
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6S36
 | | Crystal structure of E. coli Adenylate kinase R119K mutant | | Descriptor: | Adenylate kinase, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Grundstrom, C, Rogne, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | | Deposit date: | 2019-06-24 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Nucleation of an Activating Conformational Change by a Cation-pi Interaction.
Biochemistry, 58, 2019
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7MEE
 | | CDD-1 beta-lactamase in imidazole/MPD 6 minute avibactam complex | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2021-04-06 | | Release date: | 2022-02-16 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
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7MEC
 | | CDD-1 beta-lactamase in imidazole/MPD 4 minute avibactam complex | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2021-04-06 | | Release date: | 2022-02-16 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
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7K4R
 | | Crystal structure of Kemp Eliminase HG3 K50Q | | Descriptor: | Endo-1,4-beta-xylanase | | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | | Deposit date: | 2020-09-16 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
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1B88
 | | V-ALPHA 2.6 MOUSE T CELL RECEPTOR (TCR) DOMAIN | | Descriptor: | T CELL RECEPTOR V-ALPHA DOMAIN | | Authors: | Plaksin, D, Chacko, S, Navaza, J, Margulies, D.H, Padlan, E.A. | | Deposit date: | 1999-02-09 | | Release date: | 1999-02-16 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The X-ray crystal structure of a Valpha2.6Jalpha38 mouse T cell receptor domain at 2.5 A resolution: alternate modes of dimerization and crystal packing.
J.Mol.Biol., 289, 1999
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7MEF
 | | CDD-1 beta-lactamase in imidazole/MPD 10 minute avibactam complex | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2021-04-06 | | Release date: | 2022-02-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
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7ME9
 | | CDD-1 beta-lactamase in imidazole/MPD 30 seconds avibactam complex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, SULFATE ION | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2021-04-06 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
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3LMW
 | | Crystal structure of iota-carrageenase family GH82 from A. fortis in absence of chloride ions | | Descriptor: | CALCIUM ION, Iota-carrageenase, CgiA, ... | | Authors: | Rebuffet, E, Barbeyron, T, Jeudy, A, Czjzek, M, Michel, G. | | Deposit date: | 2010-02-01 | | Release date: | 2010-08-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Identification of catalytic residues and mechanistic analysis of family GH82 iota-carrageenases
Biochemistry, 49, 2010
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7MED
 | | CDD-1 beta-lactamase in imidazole/MPD 5 minute avibactam complex | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2021-04-06 | | Release date: | 2022-02-16 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
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