8GLL
 
 | | R149E variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | | Authors: | Pathirage, R, Ronning, D, Petit, C. | | Deposit date: | 2023-03-22 | | Release date: | 2023-06-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
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4TVI
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7PWJ
 | | dUTPase from human in complex with Stl | | Descriptor: | 1,2-ETHANEDIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial, ... | | Authors: | Sanz-Frasquet, C, Marina, A. | | Deposit date: | 2021-10-06 | | Release date: | 2022-12-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.944 Å) | | Cite: | The Bacteriophage-Phage-Inducible Chromosomal Island Arms Race Designs an Interkingdom Inhibitor of dUTPases.
Microbiol Spectr, 11, 2023
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7QNP
 | | Designed Armadillo repeat protein N(A4)M4C(AII) co-crystallized with hen egg white lysozyme | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, Designed Armadillo Repeat Protein N(A4)M4C(AII), ... | | Authors: | Michel, E, Mittl, P.R.E, Plueckthun, A. | | Deposit date: | 2021-12-21 | | Release date: | 2022-06-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.586 Å) | | Cite: | Improved Repeat Protein Stability by Combined Consensus and Computational Protein Design.
Biochemistry, 62, 2023
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4X9Y
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4XJY
 | | Periplasmic repressor protein YfiR | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, L(+)-TARTARIC ACID, YfiR | | Authors: | Kauer, S, Schirmer, T. | | Deposit date: | 2015-01-09 | | Release date: | 2016-01-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Periplasmic repressor protein YfiR at 1.8 Angstroms resolution
To Be Published
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6PL4
 | | TRK-A IN COMPLEX WITH LIGAND 1 | | Descriptor: | High affinity nerve growth factor receptor, N-{[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl}-N'-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea | | Authors: | Subramanian, G, Brown, D.G. | | Deposit date: | 2019-06-30 | | Release date: | 2020-07-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | In Pursuit of an Allosteric Human Tropomyosin Kinase A (hTrkA) Inhibitor for Chronic Pain
Acs Med.Chem.Lett., 2021
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7QQ6
 | | GCN2 (EIF2ALPHA KINASE 4, E2AK4) IN COMPLEX WITH COMPOUND 1 (dovitinib) | | Descriptor: | 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, eIF-2-alpha kinase GCN2 | | Authors: | Maia de Oliveira, T. | | Deposit date: | 2022-01-06 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The structure of human GCN2 reveals a parallel, back-to-back kinase dimer with a plastic DFG activation loop motif.
Biochem.J., 477, 2020
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4UHM
 | | Characterization of a Novel Transaminase from Pseudomonas sp. Strain AAC | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, ETHANOL, ... | | Authors: | Wilding, M, Peat, T.S, Newman, J, Scott, C. | | Deposit date: | 2015-03-25 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | A Beta-Alanine Catabolism Pathway Containing a Highly Promiscuous Omega-Transaminase in the 12-Aminododecanate-Degrading Pseudomonas Sp. Strain Aac.
Appl.Environ.Microbiol., 82, 2016
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6X0B
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8GKQ
 | | Crystal Structure Analysis of Aspergillus fumigatus alkaline protease | | Descriptor: | 1,2-ETHANEDIOL, Alkaline protease 1, CALCIUM ION, ... | | Authors: | Fernandez, D, Diec, D.D.L, Guo, W, Russi, S. | | Deposit date: | 2023-03-20 | | Release date: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Targeting Aspergillus allergen oryzin with a chemical probe at atomic precision.
Sci Rep, 13, 2023
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8GBN
 | | Structure of Apo Human SIRT5 P114T Mutant | | Descriptor: | 1,2-ETHANEDIOL, NAD-dependent protein deacylase sirtuin-5, mitochondrial, ... | | Authors: | Petrunak, E.M, Stuckey, J.A. | | Deposit date: | 2023-02-26 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Human SIRT5 variants with reduced stability and activity do not cause neuropathology in mice.
Iscience, 27, 2024
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9FRQ
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6MCI
 | | Solution structure of 7SK stem-loop 1 | | Descriptor: | 7SK RNA | | Authors: | Pham, V.V, D'Souza, V.M. | | Deposit date: | 2018-08-31 | | Release date: | 2018-10-31 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | HIV-1 Tat interactions with cellular 7SK and viral TAR RNAs identifies dual structural mimicry.
Nat Commun, 9, 2018
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6NQH
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8U3M
 | | The FARFAR-MD-NMR ensemble of an HIV-1 TAR excited state | | Descriptor: | The excited state of HIV-1 transactivation response element (31-MER) | | Authors: | Geng, A, Ganser, L, Roy, R, Shi, H, Pratihar, S, Case, D.A, Al-Hashimi, H.M. | | Deposit date: | 2023-09-07 | | Release date: | 2023-10-04 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | An RNA excited conformational state at atomic resolution.
Nat Commun, 14, 2023
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6NR1
 | | The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B2 protein loaded with Vaccenic acid (C18:1 delta11) to 2.1 Angstrom resolution | | Descriptor: | Fatty Acid Kinase (Fak) B2 protein (SPR1019), GLYCEROL, VACCENIC ACID | | Authors: | Cuypers, M.G, Gullett, J.M, Subramanian, C, White, S.W, Rock, C.O. | | Deposit date: | 2019-01-22 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B2 protein loaded with Vaccenic acid (C18:1 delta11) to 2.1 Angstrom resolution
To Be Published
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6Y16
 | | CRYSTAL STRUCTURE OF TMARGBP DOMAIN 1 IN COMPLEX WITH THE GUANIDINIUM ION | | Descriptor: | 1,2-ETHANEDIOL, Amino acid ABC transporter, periplasmic amino acid-binding protein,Amino acid ABC transporter, ... | | Authors: | Ruggiero, A, Balasco, N, Smaldone, G, Graziano, G, Vitagliano, L. | | Deposit date: | 2020-02-11 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Guanidinium binding to proteins: The intriguing effects on the D1 and D2 domains of Thermotoga maritima Arginine Binding Protein and a comprehensive analysis of the Protein Data Bank.
Int.J.Biol.Macromol., 163, 2020
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4QRD
 | | Structure of Methionyl-tRNA Synthetase in complex with N-(1H-benzimidazol-2-ylmethyl)-N'-(2,4-dichlorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine | | Descriptor: | MAGNESIUM ION, Methionyl-tRNA synthetase, N-(1H-benzimidazol-2-ylmethyl)-N'-(2,4-dichlorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine | | Authors: | Li, X, Hilgers, M.T, Stidham, M, Brown-Driver, V, Shaw, K.J, Finn, J. | | Deposit date: | 2014-06-30 | | Release date: | 2015-07-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Discovery and SAR of a Novel Series of Pyrimidine Antibacterials Targeting Methionyl-tRNA Synthetase
to be published
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9MQX
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4WCO
 | | Crystal structure of extracellular domain of human lectin-like transcript 1 (LLT1), the ligand for natural killer receptor-P1A | | Descriptor: | ACETATE ION, C-type lectin domain family 2 member D, SULFATE ION, ... | | Authors: | Kita, S, Matsubara, H, Kasai, Y, Tamaoki, T, Okabe, Y, Fukuhara, H, Kamishikiryo, J, Ose, T, Kuroki, K, Maenaka, K. | | Deposit date: | 2014-09-05 | | Release date: | 2015-06-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Crystal structure of extracellular domain of human lectin-like transcript 1 (LLT1), the ligand for natural killer receptor-P1A
Eur.J.Immunol., 45, 2015
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9UI2
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9PAP
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6NX5
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9Y81
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